"Bucket label","RT","m/z","Name","Formula","JP_siCTRL_1_G-A1_1_9578","JP_siLCK1_1_G-A2_1_9579","JP_siLCK2_1_G-A3_1_9580","JP_siCTRL_2_G-B1_1_9588","JP_siLCK1_2_G-B2_1_9589","JP_siLCK2_2_G-B3_1_9590","JP_siCTRL_3_G-C1_1_9598","JP_siLCK1_3_G-C2_1_9599","JP_siLCK2_3_G-C3_1_9600","JP_siCTRL_4_G-D1_1_9608","JP_siLCK1_4_G-D2_1_9609","JP_siLCK2_4_G-D3_1_9610","JP_siCTRL_4_Rosi_G-D7_1_9614","JP_siCTRL_1_GW9662_G-A4_1_9581","JP_siLCK1_1_GW9662_G-A5_1_9582","JP_siLCK2_1_GW9662_G-A6_1_9583","JP_siCTRL_2_GW9662_G-B4_1_9591","JP_siLCK1_2_GW9662_G-B5_1_9592","JP_siLCK2_2_GW9662_G-B6_1_9593","JP_siCTRL_3_GW9662_G-C4_1_9601","JP_siLCK1_3_GW9662_G-C5_1_9602","JP_siLCK2_3_GW9662_G-C6_1_9603","JP_siCTRL_4_GW9662_G-D4_1_9611","JP_siLCK1_4_GW9662_G-D5_1_9612","JP_siLCK2_4_GW9662_G-D6_1_9613","JP_siCTRL_1_Rosi_G-A7_1_9584","JP_siLCK1_1_Rosi_G-A8_1_9585","JP_siLCK2_1_Rosi_G-A9_1_9586","JP_siCTRL_2_Rosi_G-B7_1_9594","JP_siLCK1_2_Rosi_G-B8_1_9595","JP_siLCK2_2_Rosi_G-B9_1_9596","JP_siCTRL_3_Rosi_G-C7_1_9604","JP_siLCK1_3_Rosi_G-C8_1_9605","JP_siLCK2_3_Rosi_G-C9_1_9606","JP_siLCK1_4_Rosi_G-D8_1_9615","JP_siLCK2_4_Rosi_G-D9_1_9616" "967.00840 Da 4.25 s",0.07,966.00112,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",1013970.1875,0.0,624024.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "626.51153 Da 10.95 s",0.18,625.50425,"Corticosterone","C21H30O4",0.0,2392807.0,958822.375,400465.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,856273.375,1011724.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,389107.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33423 Da 13.81 s",0.23,339.32696,"Behenic acid","C22H44O2",0.0,1188870.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,772939.875,707133.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "394.38025 Da 18.66 s",0.31,393.37298,"Hederagenin","C30H48O4",303336.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "668.55643 Da 28.19 s",0.47,667.54916,"CHOLATE","C24H40O5",0.0,722065.625,212718.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "292.09081 Da 53.50 s",0.89,291.08353,"Epicatechin","C15H14O6",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3472688.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "349.00814 Da 53.60 s",0.89,348.00087,"3-Chlorotyrosine","C9H10ClNO3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1727110.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3311683.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "346.00671 Da 53.85 s",0.90,344.99943,"methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dimethoxybenzoate","C18H18O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1649945.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "330.03771 Da 54.19 s",0.90,329.03044,"N-Acetylneuraminic acid","C11H19NO9",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7121973.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "352.01966 Da 57.87 s",0.96,351.01238,"Diclofenac","C14H11Cl2NO2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1930957.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "647.86480 Da 59.81 s",1.00,646.85752,"17,21-Dihydroxypregn-4-ene-3,20-dione","C21H30O4",3381600.0,0.0,2216327.5,0.0,0.0,0.0,2576872.0,0.0,0.0,0.0,0.0,0.0,0.0,2976067.5,0.0,0.0,0.0,3549756.75,0.0,0.0,2427666.75,0.0,0.0,0.0,2465879.5,0.0,0.0,3261990.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "793.86702 Da 60.97 s",1.02,792.85975,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",2223539.75,2803201.25,2440757.0,0.0,2243894.0,1826574.375,2146353.0,2395763.0,1885439.625,3072007.5,2852607.75,3081511.0,2159436.25,1584054.5,2786600.0,2483385.0,2711888.0,2784595.25,2326273.5,2515495.0,2303817.75,1554449.5,2925531.25,2905264.25,2224834.5,2105603.25,1909611.25,2253539.75,2492700.25,1739392.25,2794742.5,2302971.5,2860022.0,2934157.5,1423373.125,1633593.875 "725.87966 Da 60.98 s",1.02,724.87238,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",3279639.0,3004968.0,2737645.75,2941689.5,3446513.5,2597446.0,2296229.0,2279247.75,2857382.5,2776403.5,4024737.0,2935298.0,2477920.0,2366523.25,2552502.0,4160957.25,4226723.5,3289975.5,2733602.0,2323051.5,3303931.5,2448788.25,2637643.5,4179192.75,1655972.5,4012054.5,2299710.0,2763271.0,2862350.5,3468153.75,2700739.75,3911383.25,3212306.25,3263745.25,3040763.75,2797746.5 "605.87874 Da 61.16 s",1.02,604.87146,"17,21-Dihydroxypregn-4-ene-3,20-dione","C21H30O4",3510566.25,3786410.0,2465379.25,0.0,2988490.75,3647624.5,3014494.5,2021410.75,2560991.25,2081301.625,3006869.75,3366017.75,1431609.0,2633556.5,2116557.75,2235952.0,2901361.25,3438476.0,3457210.0,2931592.25,0.0,2286659.25,3451280.5,3512841.5,3114090.5,2171564.75,2094743.75,1901532.375,3047654.0,2189096.75,2856811.75,2902312.75,3064331.25,2161524.75,3214199.25,3022221.5 "586.48064 Da 62.15 s",1.04,585.47336,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",691222.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "322.02619 Da 64.89 s",1.08,321.01892,"methyl 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoate","C17H14Cl2O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4437981.0,4295415.5,0.0,0.0,4357808.5,3488549.5,4246639.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "338.00327 Da 70.32 s",1.17,336.99600,"5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione","C21H26O13",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6904817.5,8262143.5,0.0,0.0,9705364.0,6424880.0,1.4553012E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "274.04175 Da 70.82 s",1.18,273.03447,"Phenylbenzimidazolesulfonic acid","C13H10N2O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4447791.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28681 Da 72.31 s",1.21,309.27954,"Eicosenoic acid","C20H38O2",952268.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.17827 Da 75.92 s",1.27,309.17099,"9-HpOTrE","C18H30O4",0.0,0.0,0.0,895939.375,1765991.5,1368377.75,1152186.375,1462937.625,1095614.625,1103394.0,1534056.25,1385107.125,1073082.125,0.0,1354506.5,1701141.625,1228611.875,0.0,1812608.375,925745.5,1731145.0,1161017.125,1711634.0,1157553.75,1407390.0,1246338.625,0.0,0.0,0.0,1743079.125,0.0,1412733.375,2216090.75,1095991.625,1546970.375,1478974.875 "340.33360 Da 77.34 s",1.29,339.32632,"Behenic acid","C22H44O2",0.0,0.0,813163.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,355501.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "362.17020 Da 78.64 s",1.31,361.16292,"2-(3-(8-hydroxyoctyl)phenoxy)acetic acid","C16H24O4",1374764.875,0.0,0.0,0.0,1097772.5,1529520.0,1206482.625,1390070.5,1181578.75,1096698.75,1136789.625,1126550.75,1242733.125,1509880.875,1245645.0,0.0,1644653.75,1086791.875,1149413.125,0.0,0.0,0.0,0.0,908675.3125,1422143.0,986058.0625,0.0,920736.375,1407347.25,1584262.75,0.0,1040441.5625,0.0,2007227.875,0.0,0.0 "338.20864 Da 78.99 s",1.32,337.20136,"5-Methoxytryptophol","C11H13NO2",0.0,0.0,0.0,0.0,0.0,0.0,1816923.0,2021146.0,0.0,1287859.25,1949613.875,2269332.0,1331825.25,0.0,0.0,0.0,1909252.875,0.0,0.0,0.0,0.0,0.0,1930812.125,0.0,2247567.25,0.0,0.0,0.0,0.0,0.0,0.0,1044311.9375,0.0,1425661.75,0.0,0.0 "454.14000 Da 82.06 s",1.37,453.13272,"5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol","C28H22O6",889084.6875,0.0,752916.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,439979.875,0.0,0.0,0.0,834098.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,748348.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "627.88094 Da 83.41 s",1.39,626.87367,"Triclosan","C12H7Cl3O2",0.0,899008.5,0.0,0.0,1262288.125,1026134.0,469615.46875,788753.3125,1065092.625,1307152.25,838159.5,982956.75,0.0,0.0,0.0,1208265.0,717506.375,1108597.0,0.0,904511.625,0.0,575980.8125,1170706.625,1008474.6875,901306.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "695.86876 Da 84.80 s",1.41,694.86148,"Triclosan","C12H7Cl3O2",0.0,756720.375,0.0,0.0,1125516.125,538861.0625,0.0,451668.4375,825618.4375,762235.875,670279.75,956649.25,0.0,0.0,826567.6875,0.0,810507.0625,461159.21875,619175.0625,737888.8125,346011.53125,0.0,702096.9375,891982.5,913714.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "805.20191 Da 86.38 s",1.44,804.19463,"Rosigltazone","C18H19N3O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4269046.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2712924.75,4889442.5,0.0,4584276.0,2064252.25,2794525.5,3913367.75,5648911.0 "872.18729 Da 86.76 s",1.45,871.18002,"Rosigltazone","C18H19N3O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2780937.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2405414.5,3257835.5,0.0,0.0,2653679.0,3553890.5,4545730.5,3770685.75,1963727.375,3515318.0,4347738.0 "736.21138 Da 87.10 s",1.45,735.20410,"Rosigltazone","C18H19N3O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5516851.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5186469.0,4389728.0,5151563.0,3915474.75,6182096.5,5022147.5,5871263.0,7144598.5,5541399.5,5226836.5,7590627.0 "804.19901 Da 87.22 s",1.45,803.19174,"Rosigltazone","C18H19N3O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4781005.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3923538.0,3713969.25,3918028.25,4883726.0,5227308.5,5591203.0,4211958.5,4423409.0,4234850.5,4002507.25,4531298.5 "1117.30979 Da 87.27 s",1.45,1116.30251,"Rosigltazone","C18H19N3O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6484009.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4410691.5,4323728.0,5110845.5,0.0,4515774.5,6200933.5,1.048908E7,3922077.5,4031642.0,6891207.0,5895453.0 "561.07756 Da 88.80 s",1.48,560.07028,"Rosigltazone","C18H19N3O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2398474.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2942460.25,3159703.5,0.0,3518971.75,3581163.0,2207011.75,1508218.5,3872908.0,2080493.0,2867128.75,1611674.75 "434.14822 Da 88.90 s",1.48,433.14094,"Glucaric acid","C6H10O8",0.0,0.0,0.0,0.0,1073881.75,732673.1875,1068934.125,1169903.0,901836.375,1038298.5,973367.375,879438.9375,0.0,0.0,0.0,1012954.5625,1031837.3125,0.0,984300.125,933798.375,0.0,1271834.125,1035840.5625,1318759.125,962724.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "250.15700 Da 89.13 s",1.49,249.14972,"(4aR,5S,8aS,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one","C15H22O3",2112674.25,2038549.375,2703247.0,0.0,1440462.0,2667836.25,1301222.125,2380275.0,1568565.125,1835236.25,2028646.625,1627684.25,0.0,3087663.0,3053526.75,2317213.5,2122457.75,3601905.75,1392262.375,2240396.25,2394403.75,1950698.5,2062685.75,3329894.25,2252384.75,0.0,4798801.0,6771257.5,6012743.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.54262 Da 89.58 s",1.49,641.53534,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1728535.25,1150040.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,796384.8125,0.0,374796.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.20419 Da 90.47 s",1.51,365.19691,"Atenolol acid","C14H21NO4",1353125.625,0.0,1212940.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1428712.0,979201.0625,0.0,0.0,745512.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "318.14597 Da 90.55 s",1.51,317.13869,"Dodecanedioate","C12H22O4",0.0,0.0,1285774.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1757816.0,2103994.5,0.0,0.0,993925.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "697.05284 Da 90.57 s",1.51,696.04557,"Rosigltazone","C18H19N3O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1173322.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2516702.0,1699228.375,1081422.625,2124430.25,0.0,1904787.125 "629.06498 Da 90.69 s",1.51,628.05771,"Rosigltazone","C18H19N3O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2371513.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,908013.3125,0.0,0.0,3170525.75,1103835.625,1498515.875,1437872.375,2534235.25,1046515.0,1604635.125,1566027.125 "350.15550 Da 91.96 s",1.53,349.14822,"2-(3,4-dihydroxyphenyl)ethyl (1S,4aR,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","C24H30O13",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1831494.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1695438.5,1193652.875,0.0,1816836.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2437434.0 "484.19048 Da 92.19 s",1.54,483.18321,"osas#9","C23H33NO10",1832745.875,1613532.5,1939586.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1247149.25,1668892.125,1403272.625,0.0,1416859.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1313523.5,993804.0,1939097.375,1757131.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "276.03033 Da 92.37 s",1.54,275.02305,"AVE3247","C25H24ClN5O4S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.071778E7,9076694.0,1.0257419E7,1.1585938E7,9510023.0,1.0323212E7,1.1527974E7,1.1157431E7,1.0745422E7,1.1000173E7,1.0490033E7,1.210252E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "432.17837 Da 92.70 s",1.55,431.17110,"Salvinorin A","C23H28O8",7609306.5,8847059.0,8920062.0,0.0,3324490.5,2712704.0,1479884.5,1679989.5,1439556.0,1391059.5,1510537.25,1831104.375,2607620.25,8743561.0,8748704.0,3754737.75,4466630.5,9839450.0,1181042.0,1223956.75,2727680.75,1476737.5,1571916.25,1138334.375,1364346.5,4016786.25,1.0633843E7,1.6573998E7,1.0333744E7,5074908.5,2314658.75,2795591.25,2626700.0,2871091.0,2705689.0,2514657.5 "450.17765 Da 92.90 s",1.55,449.17037,"Luteolin-7-glucoside","C21H20O11",524281.75,848324.75,542032.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,533209.8125,0.0,0.0,0.0,1038005.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1398101.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "772.34487 Da 93.03 s",1.55,771.33760,"Sphingomyelin d18:1-C22:0","C45H91N2O6P",1107163.75,1338179.0,1326177.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1143883.875,1260046.25,0.0,0.0,1463042.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1836330.125,1253636.5,765988.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "438.14388 Da 93.39 s",1.56,437.13661,"NCGC00380774-01_C22H27ClO7_","C22H27ClO7",967438.3125,740908.5625,1168039.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,789670.6875,784232.375,0.0,0.0,815532.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1841082.25,1738690.625,1255562.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "334.28657 Da 93.39 s",1.56,333.27930,"13.16.19-docosatrienoic acid","C22H38O2",146196.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.41314 Da 93.68 s",1.56,641.40587,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1341404.875,1058277.625,1365162.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,819656.0625,943502.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "208.14636 Da 102.28 s",1.70,207.13908,"Neopterin","C9H11N5O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1512054.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,850356.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34889 Da 103.27 s",1.72,365.34161,"Nervonic acid","C24H46O2",0.0,357844.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.25110 Da 104.82 s",1.75,395.24382,"1-Hydroxy-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine","C23H41NO7P",1519542.625,1303705.25,1485645.5,0.0,1889517.125,1658772.375,1880406.25,2238705.0,1885140.125,1675786.625,1700748.5,2219985.25,1814008.625,1064426.125,1242336.25,2080875.25,2837558.25,1572104.75,1838414.25,1713961.875,1602755.5,1814775.25,2055623.75,1886598.75,2099795.75,1850734.875,1226212.0,1486418.625,1250625.125,1395201.25,1489537.0,1708477.25,1544816.25,1560914.875,1732378.5,1602425.875 "394.23535 Da 104.89 s",1.75,393.22807,"Saccharopine","C11H20N2O6",0.0,0.0,1327567.25,0.0,1099599.125,1142487.25,2058032.875,1760489.625,1148692.875,1505200.125,2108049.75,1159345.0,1645994.625,0.0,0.0,1027290.1875,1451278.875,1616144.25,1560594.5,1616952.25,1259709.5,1458667.5,963986.5,1358533.5,1283763.125,1067437.75,0.0,1282082.25,0.0,1671185.75,1255844.25,1091984.625,1354540.625,989108.5625,1534047.375,1386268.125 "698.39856 Da 105.62 s",1.76,697.39128,"L-Histidine","C6H9N3O2",828968.5625,556640.125,1409312.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,796209.875,979171.25,0.0,0.0,897168.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,883054.125,1334751.75,931136.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "868.54879 Da 106.09 s",1.77,867.54151,"PG 44:11","C50H77O10P",557843.625,0.0,803559.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,672893.0625,0.0,0.0,826563.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,555462.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "867.54478 Da 106.75 s",1.78,866.53750,"alpha-Solanine","C45H73NO15",808096.1875,892670.1875,806474.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1003978.1875,970725.8125,0.0,0.0,1438480.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,689820.25,847000.5625,702928.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "298.16024 Da 111.25 s",1.85,297.15296,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,814325.6875,0.0,955617.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "460.20987 Da 111.71 s",1.86,459.20259,"Cryptochlorophaeic acid","C25H32O8",3462906.0,3121688.75,3705800.75,1877673.25,4252495.5,3874918.0,2811579.0,3470111.25,3371648.5,4757343.5,4204103.0,3044508.75,2925053.25,3365880.75,3565048.25,3526378.75,3730803.0,4775403.5,2568976.75,3143917.0,3107830.75,3499900.75,3606248.25,2830479.5,4425393.5,4212560.5,3584681.75,4524043.5,3492073.5,4169643.25,3699847.0,3679868.25,3032651.5,3052926.25,3197272.0,2984663.25 "678.37815 Da 111.95 s",1.87,677.37088,"Zeranol","C18H26O5",2426744.0,1639933.25,1466623.125,0.0,0.0,0.0,0.0,0.0,0.0,1485533.5,1412067.5,1251585.25,0.0,1807695.25,1491289.0,0.0,0.0,1985820.875,0.0,0.0,0.0,0.0,1678030.375,0.0,1798009.625,1377628.375,2009029.875,1608587.75,2010051.375,0.0,0.0,1683432.875,0.0,0.0,1465294.75,1604103.875 "670.57426 Da 112.69 s",1.88,669.56698,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,444298.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "425.16224 Da 115.16 s",1.92,424.15496,"Domperidone","C22H24ClN5O2",1913974.625,1465490.375,812617.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1442176.75,0.0,0.0,0.0,939616.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1114896.875,1303537.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "422.16255 Da 115.49 s",1.92,421.15527,"Losartan","C22H23ClN6O",8473243.0,6359654.0,8889620.0,0.0,0.0,0.0,0.0,0.0,0.0,1346250.625,1397438.375,1244734.25,0.0,8322546.5,6326486.0,0.0,0.0,7815713.5,0.0,0.0,0.0,1282234.5,1109349.125,0.0,1738926.0,0.0,6321392.5,1.0124041E7,5174041.5,0.0,0.0,2175068.5,0.0,0.0,1169595.75,1117863.0 "477.21963 Da 116.59 s",1.94,476.21235,"Speciosine","C28H31NO6",2237766.5,1410808.125,3285640.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,986553.75,1205113.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2049065.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "356.17499 Da 116.70 s",1.94,355.16771,"2,4-Di-tert-butylphenol","C14H22O",1603841.875,1332704.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "418.17601 Da 119.68 s",1.99,417.16874,"(4aR,5S,8aS,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one","C15H22O3",1173175.125,1736445.25,3708219.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2505439.25,1991898.125,0.0,0.0,3376263.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1871549.5,4839628.0,1927093.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "967.00729 Da 121.38 s",2.02,966.00002,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",0.0,0.0,430182.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "334.28673 Da 125.98 s",2.10,333.27946,"4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one","C20H30O4",132143.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39645 Da 127.50 s",2.12,395.38917,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,1159823.625,0.0,488719.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,983356.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1513910.75,0.0,0.0,0.0,307106.125,393288.96875,0.0,0.0,0.0,0.0,0.0 "355.35251 Da 128.46 s",2.14,354.34524,"Tricosanoic acid","C23H46O2",275703.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33418 Da 129.79 s",2.16,339.32690,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,318359.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,584191.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "620.29663 Da 140.47 s",2.34,619.28935,"LPI 20:4","C29H49O12P",0.0,0.0,0.0,0.0,1133247.25,1581873.625,0.0,1466724.75,850978.25,1071722.0,1660376.5,1216505.625,0.0,0.0,0.0,1050239.125,1560298.0,0.0,1037019.375,1035268.1875,1335368.125,0.0,1569309.25,1001686.5,1258327.875,1355103.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34926 Da 141.24 s",2.35,353.34199,"Tricosanoic acid","C23H46O2",0.0,0.0,789449.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,518898.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.18162 Da 144.45 s",2.41,309.17434,"Mestranol","C21H26O2",0.0,0.0,0.0,0.0,0.0,0.0,2366573.75,1659841.875,1816978.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30249 Da 146.57 s",2.44,311.29521,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,254985.296875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36505 Da 153.30 s",2.55,367.35778,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,920653.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,443452.71875,462791.1875,0.0,0.0,3005590.25,0.0,0.0,1287493.25,0.0,0.0,321092.1875,0.0,418031.375,0.0,0.0 "513.30719 Da 153.56 s",2.56,512.29991,"LPC 14:0","C22H46NO7P",0.0,1185121.75,0.0,0.0,917437.6875,1466442.625,1462590.125,877504.5,1568538.75,1430600.625,1472465.625,1173399.875,0.0,0.0,0.0,1223211.25,1252282.75,1052414.5,1235350.25,1219114.125,0.0,0.0,1310168.25,1392549.375,1909738.625,1081536.375,1287310.75,1604386.0,0.0,1310528.25,996476.9375,1334586.625,1239815.375,1661363.25,0.0,1121441.5 "468.27248 Da 160.42 s",2.67,467.26520,"1-Hydroxy-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine","C23H41NO7P",1240095.625,1019062.0,1409458.125,0.0,1500142.125,1864319.5,1820797.125,1712287.0,1567565.125,2244788.5,2056337.125,1796929.5,1840300.375,1359100.125,2109771.5,1695785.0,1726120.625,1592366.625,1706964.125,1781687.375,1481093.5,1909277.625,2407292.5,1767791.375,2406268.25,1811928.625,980539.375,1728482.625,1565444.25,1407685.375,1619863.5,1846777.5,1693302.25,1965151.0,1988077.625,1675337.125 "466.25677 Da 161.97 s",2.70,465.24950,"Digoxin","C41H64O14",0.0,0.0,1617795.75,0.0,1116449.75,1407763.5,1383396.5,1087331.25,1265163.5,1821015.375,1229225.375,1345620.25,1273357.75,1398801.625,1174819.75,1872922.25,1442850.625,1106295.375,1603466.25,1548217.125,1185304.125,1458480.375,1620580.75,2368246.5,1589334.0,1214379.625,1259011.5,1183873.125,1298023.875,1329214.125,1143589.125,1635485.625,1422765.0,1415221.5,1490837.25,1522668.375 "642.54250 Da 163.06 s",2.72,641.53522,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,1269853.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1081908.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.20687 Da 167.49 s",2.79,353.19960,"3-Oxocholic acid","C24H38O5",0.0,0.0,0.0,0.0,0.0,0.0,1787456.5,1595504.75,1292407.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "572.29643 Da 174.70 s",2.91,571.28915,"LPI 16:0","C25H49O12P",0.0,0.0,0.0,0.0,0.0,1432205.5,1513976.625,0.0,0.0,1349854.0,0.0,1390382.25,0.0,0.0,0.0,776042.125,1475262.5,0.0,1205707.5,1171556.25,0.0,0.0,1138563.5,0.0,1421169.625,1159645.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34953 Da 175.56 s",2.93,353.34225,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,584061.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30268 Da 182.16 s",3.04,311.29540,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,298371.5,307834.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "326.31784 Da 182.54 s",3.04,325.31056,"Methylgallate","C8H8O5",261182.796875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36855 Da 183.20 s",3.05,368.36128,"Lignoceric acid","C24H48O2",0.0,1096172.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,465828.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,189462.578125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "294.18634 Da 183.37 s",3.06,293.17906,"NCGC00017248-12!2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione","C17H26O4",3923720.0,2408974.0,3538102.25,0.0,0.0,1107246.625,3451532.5,1691665.0,1864563.125,0.0,946445.1875,0.0,0.0,2504525.75,1785625.75,1096212.125,0.0,2433531.5,0.0,0.0,0.0,1865763.5,888897.8125,0.0,957157.0,665891.5,2024373.25,4195616.0,2050943.25,1420492.375,0.0,1715546.75,0.0,0.0,0.0,0.0 "234.16219 Da 183.77 s",3.06,233.15491,"(E)-5-(2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enoic acid","C15H22O2",2658937.5,2053820.75,2575713.75,0.0,3003341.0,2545054.5,2942303.5,3066245.5,3385775.5,4419737.0,4570468.5,5038626.5,4106382.0,2257807.75,2406918.0,2943965.25,3233368.5,2903098.75,4680655.0,3335798.0,2683285.5,4318404.0,4631407.5,3489548.0,5002614.5,2475061.75,2696762.5,2373640.0,2544180.25,2721768.5,2800858.0,4798295.0,3414447.5,4208730.5,4572945.0,3376724.75 "525.28600 Da 192.02 s",3.20,524.27873,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,1553183.75,0.0,0.0,1045175.5625,1402610.25,1819630.5,1579268.125,1121542.0,2402313.75,2101700.5,1611480.25,0.0,1343585.25,1001120.5625,1757527.125,1307406.875,1102193.375,1411815.625,1119307.0,996021.8125,1899796.125,1724361.625,2255445.5,1191462.5,1510631.125,0.0,1179588.75,0.0,1320806.5,1143395.0,1419006.625,1414659.375,861184.0,961090.4375,1115810.75 "370.30787 Da 194.00 s",3.23,369.30060,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,310722.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "613.50037 Da 194.25 s",3.24,612.49309,"3-Hydroxy-4-methoxycinnamic aicd","C10H10O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,235137.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "598.31204 Da 196.20 s",3.27,597.30476,"LPI 18:1","C27H51O12P",0.0,0.0,0.0,0.0,849872.0,1749254.625,842478.8125,944439.1875,1007363.4375,1063601.0,1104839.125,906792.125,1239355.875,0.0,0.0,1018943.5,1267237.75,0.0,1515756.625,1042987.0625,1032653.6875,0.0,1047972.5,1328687.75,897003.5,1339006.5,0.0,0.0,0.0,964684.5,805675.625,1143556.875,1487370.375,1463105.75,984216.3125,1219217.0 "523.29127 Da 196.96 s",3.28,522.28399,"LPS 18:1","C24H46NO9P",0.0,0.0,0.0,0.0,747594.8125,1215744.625,0.0,647087.625,1494243.25,1354156.25,1291821.625,1260696.875,944853.9375,0.0,0.0,1035660.75,1167239.75,0.0,1400424.5,1589486.75,1127564.375,0.0,1254018.375,1376872.625,1014588.125,1143812.5,0.0,0.0,0.0,1095695.875,0.0,0.0,1229222.125,1209321.75,0.0,1056271.625 "338.20921 Da 199.86 s",3.33,337.20193,"5-Methoxytryptophol","C11H13NO2",0.0,0.0,1329848.625,0.0,765421.1875,1414929.75,1175714.875,748164.8125,673379.8125,880626.9375,792440.0625,1507811.5,1248969.875,0.0,0.0,842360.75,682033.9375,0.0,1068840.0,1359313.25,0.0,1275097.0,1541862.0,618462.625,937413.5625,0.0,0.0,951401.25,0.0,0.0,0.0,1254148.875,1284360.625,903847.8125,828619.0,866579.9375 "222.16212 Da 200.54 s",3.34,221.15485,"Isoeugenitol","C11H10O4",2334273.5,1888489.375,2151437.5,0.0,0.0,0.0,0.0,0.0,0.0,1617410.375,2323796.25,1357973.875,0.0,2034418.625,2004142.875,0.0,0.0,2608809.75,0.0,0.0,0.0,0.0,2001177.875,0.0,2199904.0,0.0,1730269.125,2289504.25,2237496.5,0.0,0.0,0.0,0.0,0.0,1644848.75,0.0 "394.38020 Da 200.72 s",3.35,393.37292,"Hederagenin","C30H48O4",260867.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27118 Da 201.76 s",3.36,283.26391,"Stearic acid","C18H36O2",0.0,0.0,2581851.25,3107827.25,2756333.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2444212.25,0.0,0.0,0.0,0.0,0.0,1635224.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1784393.25,0.0,0.0,0.0 "589.33818 Da 202.49 s",3.37,588.33090,"LPC 20:4","C28H50NO7P",0.0,0.0,0.0,0.0,1386502.125,1648913.75,0.0,1275470.25,1302613.25,1401788.25,1039897.0625,1502550.75,0.0,0.0,0.0,1651472.375,1497559.375,0.0,1119839.875,0.0,1192501.875,0.0,0.0,890998.6875,1267285.75,1077028.75,0.0,1154578.875,0.0,1179000.875,0.0,1209268.125,1013343.25,0.0,0.0,0.0 "742.39097 Da 202.56 s",3.38,741.38370,"Sphingomyelin d18:2-C20:0","C43H85N2O6P",0.0,0.0,0.0,0.0,0.0,0.0,1426583.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "643.54638 Da 205.01 s",3.42,642.53910,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",776581.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "565.33860 Da 206.10 s",3.43,564.33132,"LPC 18:2","C26H50NO7P",0.0,0.0,0.0,0.0,1158523.875,1429801.625,0.0,1218107.5,972811.1875,1289702.375,820734.75,1156615.75,0.0,0.0,0.0,1401678.25,1307860.5,0.0,873841.375,0.0,0.0,0.0,0.0,0.0,1373175.5,1008257.0,0.0,1091998.25,0.0,1055764.75,0.0,1501598.375,0.0,0.0,0.0,1137625.875 "967.00823 Da 208.54 s",3.48,966.00096,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",0.0,0.0,758117.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,217055.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "654.30871 Da 210.38 s",3.51,653.30143,"Coproporphyrin I","C36H38N4O8",1467658.125,1497035.5,1690481.375,0.0,1024181.125,1432845.875,978322.0,1386139.375,1084986.625,1866883.625,1659063.125,1461875.375,1039041.75,1643358.875,1271950.375,1283652.25,1357267.125,1672933.5,1449431.125,1425632.875,1540132.375,0.0,1562745.875,1302986.375,1721613.375,1306002.875,1134151.5,2964612.75,1521165.5,1210972.875,1107986.875,0.0,1149826.25,1364491.75,0.0,0.0 "410.41186 Da 213.08 s",3.55,409.40459,"Squalene","C30H50",535701.125,304226.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34966 Da 213.22 s",3.55,353.34238,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,390023.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,239597.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "344.17741 Da 218.99 s",3.65,343.17013,"Formoterol","C19H24N2O4",1510044.5,1404929.0,1913055.625,0.0,1577419.375,1425292.0,1350619.0,1394817.75,1337528.25,1594787.0,1584774.875,2019260.0,2135275.25,1612431.875,1324155.375,1749941.5,1322656.0,1932259.25,1390378.125,1983500.0,0.0,1291741.75,1688471.75,2018314.375,1655314.375,1753246.625,1214134.625,2241650.75,2044982.875,815057.1875,1768520.125,1586657.625,2122764.5,1913630.5,1752650.875,1517126.375 "642.23530 Da 223.78 s",3.73,641.22802,"Eriodictyol-7-neohesperidoside","C27H32O15",0.0,0.0,1490489.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1083582.75,0.0,0.0,0.0,1400554.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1099293.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "527.30153 Da 225.05 s",3.75,526.29425,"Tetrahydrocortisone","C21H32O5",0.0,0.0,0.0,0.0,1091394.5,1425069.5,1639006.625,1576812.25,1188346.75,1496441.625,1444492.875,1382494.875,0.0,1433618.25,1223824.0,706020.5,969183.5,1141161.75,1112051.875,1167539.375,0.0,2121873.75,1516450.5,1682544.25,1084587.5,1150048.75,0.0,0.0,0.0,1193265.0,1231537.375,945564.5,0.0,1141340.75,0.0,0.0 "1000.61929 Da 226.91 s",3.78,999.61202,"Phosphatidylcholine lyso alkyl 18:0","C26H56NO6P",1042202.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "912.56544 Da 227.97 s",3.80,911.55817,"kaempferol 7-neohesperidoside","C27H30O15",2663244.0,706520.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "870.54583 Da 230.76 s",3.85,869.53856,"PG 44:10","C50H79O10P",993110.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "780.48605 Da 232.78 s",3.88,779.47877,"5-(hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)oxolan-2-one","C11H20O4",5152406.5,1184920.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33401 Da 234.45 s",3.91,339.32673,"Behenic acid","C22H44O2",0.0,1108447.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,323075.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "604.38248 Da 238.76 s",3.98,603.37521,"(2R,3R,4R,6aR,6bS,8aS,11R,12R,12aS,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid","C36H56O12",995690.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "638.37992 Da 239.08 s",3.98,637.37265,"Decahydrogambogic Acid","C38H54O8",1755594.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "251.15253 Da 239.14 s",3.99,250.14525,"3-(Alpha-acetonylbenzyl)-4-hydroxycoumarin","C19H16O4",0.0,0.0,1665362.125,0.0,0.0,0.0,1957934.0,1783533.75,0.0,1827953.75,1611026.0,1842999.625,1512780.25,0.0,0.0,0.0,0.0,1566788.25,1841193.875,0.0,0.0,1707851.625,2227269.0,1891423.5,1845072.125,0.0,0.0,0.0,0.0,0.0,0.0,1583103.75,1640978.75,2037471.875,1707363.5,1575752.875 "541.33845 Da 239.34 s",3.99,540.33117,"LPC 16:0","C24H50NO7P",1167526.875,1689125.625,1205021.0,0.0,1378341.375,1788757.125,1355787.25,1795770.375,1652689.25,1354824.125,1969236.625,1908430.25,1866815.375,1889436.25,1474909.375,2288775.0,1575405.875,1909143.5,1711658.125,1109977.75,1500520.75,1311921.125,1468213.625,1395583.0,1817647.5,1950851.875,1635295.125,2207703.0,1542109.625,1622248.375,2258930.0,2474254.5,1916557.25,2004051.25,1430353.25,1814841.125 "338.21235 Da 251.58 s",4.19,337.20507,"Piperonyl butoxide","C19H30O5",0.0,0.0,0.0,0.0,0.0,0.0,2281612.75,1322542.25,1560138.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "394.37940 Da 257.75 s",4.30,393.37213,"Hederagenin","C30H48O4",407033.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "739.28286 Da 271.84 s",4.53,738.27559,"Folic acid","C19H19N7O6",0.0,0.0,0.0,0.0,0.0,0.0,0.0,595986.25,0.0,0.0,0.0,950403.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,793764.625,0.0,0.0,0.0,816417.6875,0.0,0.0,0.0,0.0,0.0,947550.375,798409.125,1021358.125,491292.03125,0.0,911969.875 "541.33845 Da 271.99 s",4.53,540.33117,"LPC 16:0","C24H50NO7P",3492586.0,7799625.5,6655765.5,1768351.625,7933114.5,8921545.0,6090704.0,8387119.5,6639322.0,7432627.0,9020563.0,8100459.5,8523047.0,6085336.5,6250097.0,7854372.5,8261479.0,7537736.0,6788701.5,6396721.0,7087544.5,6082091.5,6966720.5,7047387.5,8820714.0,9711478.0,8711353.0,1.3645019E7,7223000.0,9397649.0,9610304.0,1.2036977E7,1.0150707E7,1.0158195E7,7631883.5,9973258.0 "609.32560 Da 272.07 s",4.53,608.31832,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,1624185.25,1391959.25,0.0,1033332.75,1312266.25,1318023.875,932018.375,1347461.875,1177229.0,1299121.625,1061322.625,1337513.0,1025098.625,959447.5,1272410.625,1445120.125,1394480.625,1144804.5,1012771.1875,856985.1875,1531232.25,1056583.5,1003296.75,1229795.0,1359572.875,1764928.0,1600047.5,1751348.875,1126614.5,1291502.5,1399705.125,1289195.5,1336149.125,1064440.75,1080450.625 "453.28573 Da 272.19 s",4.54,452.27846,"LPE 16:0","C21H44NO7P",0.0,0.0,0.0,0.0,838556.5,1837294.375,1317654.125,1288727.375,1375003.625,1339226.375,1060397.625,1610043.375,1321840.0,1280056.75,0.0,1752309.375,1147219.0,1215996.5,1291651.75,989580.375,0.0,0.0,1384439.0,0.0,1079577.375,1342977.875,1188410.0,1601951.5,1031628.875,963869.0,1208095.375,1995025.75,1489939.875,1462665.0,1118681.375,1528565.5 "671.29566 Da 272.47 s",4.54,670.28838,"Folic acid","C19H19N7O6",0.0,0.0,0.0,0.0,764631.75,945594.375,0.0,1298459.25,1050170.625,0.0,1107213.125,1117553.375,1112140.125,0.0,0.0,0.0,746431.5,0.0,0.0,0.0,997773.375,856016.5625,1121159.25,1214221.625,1123778.375,931647.6875,0.0,977360.1875,0.0,1057487.625,896269.1875,1216182.25,1431050.125,1372187.25,1173620.125,1229829.625 "312.30244 Da 274.88 s",4.58,311.29516,"icos-19-ene-1,2,4-triol","C20H40O3",0.0,758050.8125,489815.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.19672 Da 275.55 s",4.59,367.18945,"Cortexolone","C21H30O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1418467.25,1335056.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1306511.25,0.0,1007156.1875,0.0,0.0,0.0,0.0,0.0,0.0,1304607.0,0.0,0.0,0.0,0.0 "567.35384 Da 276.77 s",4.61,566.34657,"LPC 18:1","C26H52NO7P",0.0,1132859.875,1246207.125,0.0,1043755.0,1157073.0,1190841.375,1182944.25,1355771.5,985948.8125,1386011.625,775466.3125,1003481.75,1376344.625,1305364.0,1038781.75,1047410.0625,991461.8125,861424.5625,1451275.5,866152.9375,726409.0625,1441335.375,906192.9375,913991.6875,1008950.8125,974272.5,1220157.0,1025703.5,1088461.875,957185.5625,1297721.5,1161220.125,970054.125,1066392.875,813389.75 "442.21023 Da 277.28 s",4.62,441.20296,"Aminopterin","C19H20N8O5",0.0,0.0,0.0,0.0,1882717.375,0.0,0.0,1351419.375,1273390.25,0.0,1104491.0,0.0,0.0,942409.375,0.0,0.0,0.0,2796494.5,0.0,0.0,0.0,0.0,0.0,0.0,1146558.25,0.0,1323505.25,0.0,1234704.625,0.0,1353208.5,0.0,0.0,0.0,0.0,0.0 "700.27777 Da 282.69 s",4.71,699.27049,"Flavonol base + 4O, O-Hex, O-MalonylHex","C30H32O20",975532.0,919166.8125,1262612.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1052902.0,891287.0,0.0,0.0,1095102.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1225689.0,1607646.75,1097798.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "636.49616 Da 286.27 s",4.77,635.48888,"Dactinomycin","C62H86N12O16",145637.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "290.18828 Da 287.57 s",4.79,289.18101,"5a-Androstane-3b,17b-diol","C19H32O2",0.0,0.0,0.0,0.0,0.0,1464707.25,1115152.25,1810566.25,1154939.375,2019003.5,0.0,1728994.125,1706100.75,0.0,0.0,0.0,0.0,0.0,1894169.375,1752864.125,0.0,1551929.625,1802429.875,1641417.0,1132124.0,0.0,0.0,1667059.75,0.0,1607151.0,1563857.0,1804140.625,1264386.375,1435717.5,1389160.0,0.0 "643.54621 Da 289.37 s",4.82,642.53893,"3,5-Diiodo-tyrosine","C9H9I2NO3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,234222.421875,232169.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "475.29333 Da 290.62 s",4.84,474.28605,"Octadecanedioic acid","C18H34O4",1839845.125,2138379.0,2681726.75,0.0,1438414.75,1511911.875,1720937.875,1434191.625,939946.625,2189606.25,1440959.875,1681878.125,1195006.625,2037666.5,2066516.5,1422555.5,1076787.875,2416593.5,1428734.625,1183786.125,0.0,1299169.375,1583719.0,1164253.375,2002576.375,1240463.375,1497684.25,1444741.5,1699389.25,1563652.5,1504871.625,1580905.5,1317758.25,1277863.625,1533947.125,0.0 "474.29000 Da 291.29 s",4.85,473.28272,"NCGC00347571-02_C27H40O4_(3beta,5alpha,8xi,14xi,25S)-3-Hydroxyspirost-9(11)-en-12-one","C27H40O4",2573945.5,2370214.0,3774887.25,0.0,1976253.0,2126706.5,2367378.25,1831221.25,1728556.375,2382659.75,2451402.25,2043163.625,1546801.0,2476041.25,2788196.0,2112326.75,1866981.0,3243536.25,1570509.75,1652859.625,1468600.375,2041254.25,2632070.75,1711426.875,2293703.5,1845413.0,2406719.75,3535950.0,2316251.5,1899069.125,1934304.125,2070673.75,1393781.0,1779019.125,2019923.25,1694904.75 "688.26931 Da 295.90 s",4.93,687.26203,"Sphingomyelin d18:1-C16:0","C39H79N2O6P",0.0,819976.3125,1207828.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,963297.75,0.0,0.0,0.0,1284444.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,741554.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.21954 Da 298.79 s",4.98,269.21226,"Baicalein","C15H10O5",771014.8125,196461.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.37026 Da 305.20 s",5.09,425.36299,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",153297.703125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "654.30790 Da 306.04 s",5.10,653.30062,"Coproporphyrin I","C36H38N4O8",1422284.25,1380124.375,1235856.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1282168.375,1103938.75,0.0,0.0,857153.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1253490.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "567.35398 Da 309.62 s",5.16,566.34670,"LPC 18:1","C26H52NO7P",1732935.5,4457159.5,3206253.25,1194756.625,4915962.0,5535743.5,3580612.75,5786565.5,4300368.0,4407524.5,6216741.0,4318031.5,4617839.5,2842819.0,3369462.5,6048054.0,5971913.0,4369367.5,3804907.25,4068331.25,4121831.5,3866728.5,4242922.0,4593468.5,5211102.0,5456205.0,5182494.0,6216507.5,4178080.5,5237271.0,5802662.0,6311583.5,6177060.5,5984142.0,4249293.0,4669618.5 "615.51502 Da 317.94 s",5.30,614.50774,"2-acetoxy-6-pentadecylbenzoic acid","C24H38O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,395127.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "600.32791 Da 319.43 s",5.32,599.32063,"LPI 18:0","C27H53O12P",0.0,1164130.625,0.0,0.0,1366021.625,2040829.875,1689581.5,1624384.625,1743109.875,1813422.125,2239873.5,2002321.625,1038596.4375,1229761.75,0.0,1686218.625,2086158.375,926389.125,1867672.75,1497644.125,1374498.875,1333824.875,1579377.75,1759866.75,1867969.625,1394748.75,0.0,932085.625,0.0,1035494.3125,1287017.25,1315155.25,956235.6875,1523587.5,812021.375,1099639.625 "306.21953 Da 320.08 s",5.33,305.21226,"Epigallocatechin","C15H14O7",3468985.25,2978437.75,4073363.5,1527275.5,5096521.0,5221775.5,5896187.0,5761358.5,5209566.0,7433986.5,7394445.5,6022415.5,6065876.5,3059665.75,3138387.25,4967881.0,5209685.5,4656702.5,5886068.0,5795407.5,4481320.0,5319952.5,7511285.5,5342145.0,7719705.0,4748662.0,2745622.0,5285764.5,2790764.75,4551060.5,4419379.0,6697448.0,5073102.5,6245927.5,7039883.5,4725629.5 "967.00860 Da 321.22 s",5.35,966.00133,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",0.0,707256.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "525.34319 Da 321.92 s",5.37,524.33591,"Taurodeoxycholic acid","C26H45NO6S",0.0,0.0,0.0,0.0,1344137.625,1416041.625,827842.5625,1082063.75,937091.4375,1173768.25,1136756.25,957595.875,1152536.125,0.0,0.0,977980.5625,876801.4375,986110.375,1058893.875,0.0,1211793.875,0.0,626102.4375,985128.25,1364282.875,1270680.0,958094.3125,1172618.75,0.0,1426817.5,1228851.375,1574907.5,1366498.5,789464.125,1101531.75,1454716.5 "437.29066 Da 326.50 s",5.44,436.28338,"LPE O-16:1","C21H44NO6P",0.0,1172943.25,1339545.25,0.0,1512843.5,2203880.25,1716526.625,1332680.375,1548961.125,1838049.875,1509722.625,1511685.0,2045132.125,1201968.5,1106477.875,1900667.875,1982901.625,1410843.5,1518193.875,1684333.0,1182427.5,1213240.0,1944795.125,1922264.875,1690392.125,2247024.75,845888.6875,1457154.75,1374105.5,2097310.75,2052575.625,2431147.5,1561682.0,1801098.75,1436417.25,1530413.5 "527.35888 Da 328.23 s",5.47,526.35160,"chaetoglobosins","C32H36N2O5",0.0,1058549.5,918395.3125,0.0,1847708.75,1346658.375,1415077.25,1230085.125,1397918.125,1596496.75,1999851.75,1834086.75,1190906.125,1148024.75,1299588.0,1245452.25,1341165.625,1269481.25,979917.0625,1128258.875,838372.25,1229998.25,1679542.25,1226311.75,1294922.875,1566776.0,1187315.375,1880591.125,1269489.25,1108391.25,1524722.375,1737696.375,838461.75,1309415.5,1268812.625,1105328.75 "668.25167 Da 328.47 s",5.47,667.24439,"Flavonol base + 4O, O-Hex, O-MalonylHex","C30H32O20",937861.75,1379753.75,1217032.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,864188.375,946829.875,0.0,0.0,1256698.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1492701.125,1524303.375,873238.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "766.41464 Da 328.57 s",5.48,765.40737,"3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6-dihydroxy-7,12,16-trimethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[9.7.0.0?,?.0?,?.0??,??]octadecane-7-carboxylate","C36H60O12",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1332798.5,821282.0625,948310.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,931328.6875,1128332.0,0.0,1144298.25,0.0,0.0,0.0,0.0,0.0,0.0,1265142.5,0.0,0.0,1122158.875,0.0 "340.29922 Da 331.95 s",5.53,339.29195,"Behenic acid","C22H44O2",0.0,0.0,1013258.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1221351.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,756684.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.37011 Da 342.44 s",5.71,425.36284,"Etiocholanolone","C19H30O2",154044.078125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "305.92116 Da 343.69 s",5.73,304.91388,"4-Methylumbelliferone","C10H8O3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,213705.015625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "586.48058 Da 354.56 s",5.91,585.47331,"Estrone","C18H22O2",0.0,0.0,315366.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "583.34827 Da 361.11 s",6.02,582.34099,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1271838.875,0.0,0.0,1330749.875,1137438.125 "490.28459 Da 361.67 s",6.03,489.27731,"Xanthosine","C10H12N4O6",2443007.0,1840967.375,2111288.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1562646.5,1490270.375,0.0,0.0,2067581.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1757166.5,3299655.0,2151234.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "555.35400 Da 363.76 s",6.06,554.34672,"LPC 17:0","C25H52NO7P",0.0,1185947.25,860036.8125,0.0,741111.3125,1239975.375,0.0,1391424.875,903379.9375,0.0,908052.4375,1276170.125,1137007.0,0.0,941632.9375,1316410.0,0.0,1198469.0,720112.0,0.0,1151586.625,0.0,0.0,1070456.375,1198601.375,966867.25,1607931.625,1276550.0,970033.25,1547037.75,1187064.375,1526030.125,1163484.0,1480873.5,793278.875,1418833.25 "612.47855 Da 363.93 s",6.07,611.47128,"1,11-Undecanedicarboxylic acid","C13H24O4",0.0,0.0,582930.9375,0.0,1211613.25,1149163.0,0.0,0.0,0.0,1302485.0,1015451.875,1902030.375,0.0,0.0,586254.625,693988.0,806092.875,1291876.75,0.0,0.0,832982.5,843330.375,890350.9375,0.0,1168794.0,602898.8125,626860.5,1079290.375,1062679.5,1155535.125,955971.1875,1128163.125,0.0,0.0,819329.375,900498.0625 "369.32474 Da 364.11 s",6.07,368.31747,"Lignoceric acid","C24H48O2",1572607.25,0.0,2049202.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,789454.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,889743.375,0.0,0.0,1542174.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "478.39970 Da 364.44 s",6.07,477.39243,"1,11-Undecanedicarboxylic acid","C13H24O4",0.0,0.0,1637431.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1543007.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1314763.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "530.45473 Da 364.48 s",6.07,529.44745,"1,11-Undecanedicarboxylic acid","C13H24O4",1308882.125,1426596.625,1353314.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1284443.5,1404003.75,0.0,0.0,1977717.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1900916.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "463.30557 Da 366.55 s",6.11,462.29829,"LPE O-18:2","C23H46NO6P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,821069.4375,0.0,0.0,0.0,0.0,488182.6875,1218671.125,0.0,0.0,0.0,0.0 "598.48078 Da 367.87 s",6.13,597.47350,"2-[2-[5-[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol","C50H84O22",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,240277.515625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "305.92126 Da 375.00 s",6.25,304.91398,"Folic acid","C19H19N7O6",0.0,0.0,0.0,0.0,0.0,0.0,0.0,189445.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34955 Da 376.88 s",6.28,353.34228,"Tricosanoic acid","C23H46O2",1585126.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,434135.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,144437.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "652.52706 Da 377.75 s",6.30,651.51978,"Gamma-Glutamylcysteine","C8H14N2O5S",367490.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "638.51157 Da 379.75 s",6.33,637.50429,"Hexosyl LPE 18:2","C29H54NO12P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,443262.78125,549790.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "375.33512 Da 380.51 s",6.34,374.32785,"Alpha-hydroxyisobutyric acid","C4H8O3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1567229.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "326.31792 Da 381.49 s",6.36,325.31064,"Heneicosanoic acid","C21H42O2",227360.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28652 Da 384.21 s",6.40,309.27924,"Eicosenoic acid","C20H38O2",0.0,0.0,261863.078125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.25032 Da 387.88 s",6.46,283.24304,"alpha-Hederin","C41H66O12",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,956164.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,402489.03125,785570.375,604295.5625,533428.25,615526.3125,647070.1875,863137.5,1062751.875,638930.8125,636543.5,552965.125 "724.13256 Da 392.20 s",6.54,723.12528,"Phosphatidylserine 18:0-20:4","C44H78NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2398385.5,2361374.75,2400745.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2017580.75,1253088.125,0.0,2021614.625,0.0,0.0,0.0,0.0,0.0,0.0,1187513.125,0.0,0.0,2470105.5,1840310.125 "725.13390 Da 396.26 s",6.60,724.12663,"Sphingomyelin d18:1-C16:0","C39H79N2O6P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1071290.0,1202148.25,980543.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,983502.1875,1108036.375,0.0,877934.125,0.0,0.0,0.0,0.0,0.0,0.0,1232630.875,0.0,0.0,1006123.0625,844560.625 "384.32354 Da 396.77 s",6.61,383.31626,"(6E,10Z,14E)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid","C20H26O4",0.0,426900.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "690.26762 Da 401.85 s",6.70,689.26034,"Glucobrassicin","C16H20N2O9S2",1790705.0,1600978.875,1991931.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1810677.875,1794790.125,0.0,0.0,1752449.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,919551.1875,2724597.25,1228429.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "688.26945 Da 402.17 s",6.70,687.26217,"Glucobrassicin","C16H20N2O9S2",2302555.5,1824981.0,2592044.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2675240.25,1821705.875,0.0,0.0,2369929.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1902120.5,3008298.0,1710939.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "742.32466 Da 402.46 s",6.71,741.31738,"Glucobrassicin","C16H20N2O9S2",1394879.375,929088.4375,1266679.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,971642.0625,715892.1875,0.0,0.0,1219999.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1078917.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "652.52711 Da 410.46 s",6.84,651.51983,"guajavarin","C20H18O11",357063.5,0.0,240962.921875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.54237 Da 418.76 s",6.98,641.53509,"7,8-dimethylalloxazine (lumichrome)","C12H10N4O2",0.0,0.0,0.0,309011.375,516877.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "569.36963 Da 419.60 s",6.99,568.36235,"LPC 18:0","C26H54NO7P",1057770.25,1368861.125,925527.9375,0.0,1091143.5,1368533.125,863374.9375,1118694.5,1728643.25,1091265.5,1198536.5,1267845.625,1358890.375,1314525.375,1109082.125,1363934.5,877870.0,1332001.625,1207231.125,1490330.0,1732639.875,1091472.375,949085.3125,1060881.125,988518.3125,1107344.0,1430079.875,1768504.375,1293563.125,1293705.25,1475208.0,1655029.625,1567058.5,1522767.125,1500021.25,1469534.0 "490.28508 Da 426.11 s",7.10,489.27780,"Xanthosine","C10H12N4O6",1668727.25,2047338.625,2078217.5,0.0,1619343.125,1212495.75,1499388.375,1322055.125,1879072.25,1676739.125,2139074.75,1392411.125,1227362.5,1772270.625,1734875.25,1364206.875,1408019.0,2115666.75,1143349.0,1461286.375,1605072.125,1408915.5,1855746.375,1156807.25,1722062.125,1449774.375,1925677.625,1930904.875,1921548.125,1437437.625,1685817.875,1472315.625,1560524.25,2192205.75,1638767.625,1645572.875 "304.24034 Da 426.28 s",7.10,303.23306,"14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0?,??.0?,?]hexadecane-5-carbaldehyde","C20H32O2",0.0,1185796.25,852041.1875,0.0,1234492.375,1471483.375,1025134.4375,1178572.875,1174897.25,1494721.5,1447626.75,1511146.125,3281629.0,1309018.625,920522.5,1368952.0,1459861.5,1032437.8125,1553967.0,1213199.25,1194710.5,1241296.0,1132052.5,1158096.75,1831675.25,3196664.0,3357246.75,5549982.5,2816865.5,2963879.75,3995841.75,3898084.0,4012116.25,3748270.25,3311322.75,3415800.25 "372.22750 Da 426.49 s",7.11,371.22022,"Aleuretic Acid","C16H32O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1538312.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1204083.125,948496.5625,1636783.875,1007431.3125,994484.125,1126282.0,839461.4375,1889753.5,1656267.25,1155383.375,1294017.625 "282.25582 Da 428.87 s",7.15,281.24854,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2985381.25,0.0,0.0,0.0,0.0,2278584.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1933144.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "666.27226 Da 433.68 s",7.23,665.26499,"L-Cystathionine","C7H14N2O4S",590223.625,1125540.0,1211116.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,937865.1875,976857.875,0.0,0.0,991692.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1060986.875,1275477.5,1231494.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "666.54307 Da 436.93 s",7.28,665.53579,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,802044.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,756300.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,410445.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "779.19258 Da 441.32 s",7.36,778.18530,"Phosphatidylcholine alkyl 16:0-22:5","C46H84NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1113731.375,1224688.875,1227940.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1030380.625,981801.0,0.0,1060383.25,0.0,0.0,0.0,0.0,0.0,0.0,1053897.0,0.0,0.0,1178589.625,1032524.875 "383.38369 Da 444.62 s",7.41,382.37642,"9-hydroxy-5b,8,11a-trimethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,5a,8-tricarboxylic acid","C30H44O7",0.0,0.0,1122395.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,357934.8125,532328.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "664.52735 Da 445.12 s",7.42,663.52007,"2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","C20H34O7",414044.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.27677 Da 446.46 s",7.44,341.26949,"Stearic acid","C18H36O2",1682320.125,1240488.375,1135901.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,858843.9375,1307069.375,0.0,0.0,1306888.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1530089.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "330.25580 Da 455.11 s",7.59,329.24852,"NCGC00385641-01_C53H84O24_beta-D-Glucopyranose, O-beta-D-glucopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-1-O-[(3beta,5xi,9xi)-23-hydroxy-23,28-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-","C53H84O24",0.0,838187.375,661321.8125,0.0,749004.75,852084.3125,668210.0,917455.9375,724180.9375,685408.0625,931514.875,1053799.0,1444939.25,798318.8125,851818.625,945259.75,766388.5,876244.75,1008481.375,717161.3125,800168.1875,934005.125,768385.6875,799226.1875,1183218.375,1572398.0,1260720.25,2403673.5,1187145.875,1440880.375,1930324.875,1534897.625,1943021.125,1790407.375,1573057.0,1781701.375 "569.36973 Da 455.54 s",7.59,568.36245,"LPC 18:0","C26H54NO7P",3039068.0,7512108.5,4801401.0,1540104.25,7165369.0,6331970.0,4318221.0,6752013.0,5211282.0,4060491.25,6773893.5,6858708.5,5504076.0,4074483.75,5706511.0,6822959.5,4736330.5,7048311.0,5111805.5,4352826.0,5588065.5,4965865.5,4772868.5,5161090.5,6497193.0,6797849.0,7655668.0,1.0561667E7,5320502.0,7665957.0,7904289.0,7852279.0,8495404.0,8568101.0,6792460.0,7917532.5 "637.35702 Da 455.73 s",7.60,636.34974,"Stearic acid","C18H36O2",0.0,1418348.75,1167191.875,0.0,1265301.625,1301461.25,914664.0,1238492.375,1057000.875,894387.625,1243832.625,1249566.0,1122132.375,897788.25,1178472.625,1355045.375,1330365.625,1224465.75,1144518.5,1323218.875,1219425.25,1029006.9375,1200868.625,1368052.125,1220483.5,1348516.0,1562914.75,1623086.0,1044553.4375,1722202.875,1471027.0,1382260.0,1622765.5,1544127.625,1260030.125,1478618.0 "767.31444 Da 455.77 s",7.60,766.30716,"Folic acid","C19H19N7O6",0.0,0.0,0.0,0.0,0.0,0.0,0.0,623768.0,0.0,0.0,0.0,1067116.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,897621.125,987892.875,0.0,948740.375,789887.875,0.0,966727.4375 "652.39785 Da 457.74 s",7.63,651.39057,"NCGC00380940-01_C36H60O10_","C36H60O10",690396.1875,1006166.375,988839.25,0.0,1624693.625,1350181.5,1610017.625,1448384.75,1256828.375,1347983.5,1299067.5,1550285.625,1530764.5,844131.875,1403548.125,1589852.5,1457858.0,1005751.1875,1798674.375,1364509.5,1347185.0,1220067.25,1826501.75,1451153.375,1631065.375,1433867.125,1276114.0,1374957.5,1095299.625,1240176.375,1129998.0,1386080.75,1265256.625,1440102.625,1067241.5,1132942.625 "638.31380 Da 460.15 s",7.67,637.30653,"5-hydroxy-3-[(2S,3R,4R,5S)-3-hydroxy-5-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","C32H38O19",1917406.25,1713013.875,2912380.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1996106.875,1854550.875,0.0,0.0,2636854.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1782317.125,3272864.5,1646867.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "742.32369 Da 460.20 s",7.67,741.31642,"Crocin","C44H64O24",935041.625,833312.1875,1452758.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1080132.75,0.0,0.0,0.0,1034103.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,766885.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "688.26961 Da 460.58 s",7.68,687.26233,"Crocin","C44H64O24",2769419.25,2368043.25,2533028.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2086556.0,1954727.75,0.0,0.0,2270405.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1474544.125,2424689.5,1824289.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "481.31710 Da 463.18 s",7.72,480.30983,"LPE 18:0","C23H48NO7P",0.0,1709012.125,766676.6875,0.0,1721892.875,2557250.75,2511204.5,2141296.75,1952694.375,2723323.25,2037092.625,2284588.25,3976791.0,2015883.25,1986000.875,2343349.5,2653779.25,2026993.625,2099517.75,2384257.0,1562410.875,1427974.125,2712850.0,1605130.25,2334105.0,4323068.5,2119590.5,2851441.0,2490514.0,2555128.0,3374960.75,4724998.5,2797536.75,3780490.0,2181577.25,2814563.75 "549.30465 Da 463.64 s",7.73,548.29738,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1162147.375,0.0,0.0,1124664.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,890611.6875,0.0,0.0,0.0,1047069.8125,1274725.625,1765260.625,0.0,1371892.125,0.0,1249098.5 "695.40643 Da 466.36 s",7.77,694.39915,"(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,12aS,14bR)-10-acetyloxy-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid","C52H82O24",0.0,0.0,1108843.875,0.0,1430012.25,1329425.375,1221611.75,1311133.375,1234712.375,1322172.75,727662.0625,1069318.5,1080500.0,0.0,0.0,1467480.0,1865498.75,0.0,1055115.0,993252.3125,1038257.1875,1173346.375,1221959.5,1083072.5,1438319.0,1060894.375,0.0,0.0,0.0,1196177.875,1125194.375,1245983.375,1026827.9375,1115487.25,930000.6875,0.0 "694.40506 Da 466.86 s",7.78,693.39778,"(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,12aS,14bR)-10-acetyloxy-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid","C52H82O24",1601401.5,1787540.125,2514753.75,0.0,3515304.0,3018849.0,3047711.0,3383074.5,2552186.5,2512373.25,2529281.0,2779378.0,2582575.5,1635354.75,1690253.5,3381338.5,3849220.5,2804097.25,2648891.5,2426677.0,2459024.5,2206934.25,2648669.0,2482152.25,3355105.25,3267244.25,1479094.875,2090896.0,1398171.5,3689280.75,2338474.5,2451174.25,1271319.5,2243893.5,2463376.75,2218173.25 "628.52716 Da 467.82 s",7.80,627.51989,"Estrone","C18H22O2",0.0,914745.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "595.38446 Da 475.03 s",7.92,594.37718,"LPC 20:1","C28H56NO7P",0.0,0.0,0.0,0.0,0.0,942110.625,0.0,0.0,0.0,0.0,0.0,907284.25,947241.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1134248.25,930275.125,0.0,0.0,0.0,850031.375,954738.0,1302881.75,1395919.875,1274831.0,931800.0625,1013176.0 "796.28096 Da 476.46 s",7.94,795.27368,"3Alpha-Hydroxy-4,4-Bisnor-8,11,13-Podocarpatriene","C15H20O",1073424.0,1138943.75,864519.4375,0.0,0.0,0.0,0.0,0.0,0.0,877135.0,924910.8125,918805.0625,0.0,887074.9375,629860.3125,0.0,0.0,0.0,0.0,0.0,0.0,830359.375,876279.5,0.0,643519.5,0.0,0.0,890567.5625,0.0,0.0,0.0,926837.1875,0.0,0.0,903455.5625,0.0 "498.33525 Da 476.85 s",7.95,497.32798,"5-[(8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid","C20H32O3",0.0,0.0,0.0,0.0,0.0,484629.4375,973345.5,705561.375,950201.6875,903751.0,1053191.0,936806.5,969860.0625,0.0,0.0,0.0,723054.75,0.0,821878.25,659053.6875,0.0,970899.875,791134.25,735594.625,1052326.75,892088.625,0.0,0.0,0.0,776914.25,0.0,971392.375,607204.6875,867861.9375,825970.875,886958.625 "668.55757 Da 478.87 s",7.98,667.55029,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,328903.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "598.48018 Da 481.72 s",8.03,597.47291,"Hexadecanedioic acid","C16H30O4",0.0,0.0,334158.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "695.43864 Da 482.44 s",8.04,694.43136,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,898130.1875,835933.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39620 Da 486.17 s",8.10,395.38892,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,640638.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1349294.625,0.0,0.0,590558.625,0.0,785749.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1498279.25,0.0,0.0,667173.125,0.0,0.0,0.0,0.0,0.0 "543.29886 Da 490.25 s",8.17,542.29158,"PharmaGSID_48511","C27H35F2N7O3",4960625.5,4208608.0,5677994.0,1511473.375,3866672.25,4616366.5,5033930.0,3290610.5,3701120.75,4949642.5,4716462.5,4507996.5,3858382.75,3840380.5,4497524.0,4303169.5,5159016.5,4394308.5,4149156.5,4222713.5,2905598.25,3411146.75,4731872.5,3761838.5,4586946.5,4620563.0,3405896.25,4702904.0,4298600.0,3876616.75,3157249.25,5337781.5,3829898.5,4466472.5,4396505.5,4328779.5 "598.51681 Da 492.67 s",8.21,597.50953,"Hexadecanedioic acid","C16H30O4",0.0,846282.3125,1244017.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,652483.6875,0.0,0.0,0.0,1001689.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,947470.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "636.53113 Da 495.86 s",8.26,635.52385,"8,11,14-Eicosatrienoic acid","C20H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,784859.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "399.24100 Da 497.44 s",8.29,398.23372,"Mepacrine","C23H30ClN3O",0.0,0.0,0.0,0.0,0.0,0.0,1092355.875,0.0,0.0,970372.5625,1492708.875,1217929.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1565905.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1487399.75,0.0,0.0 "428.29462 Da 497.45 s",8.29,427.28735,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",982345.5625,0.0,1048909.25,0.0,0.0,0.0,0.0,0.0,0.0,581757.4375,548144.875,0.0,924802.0625,745027.0,851207.8125,0.0,0.0,0.0,765381.625,0.0,0.0,0.0,673950.1875,705575.9375,683778.6875,0.0,0.0,414415.71875,599534.4375,0.0,0.0,0.0,0.0,838750.25,0.0,0.0 "668.32384 Da 499.74 s",8.33,667.31657,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",952596.6875,824372.6875,1026773.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,898454.125,824005.75,0.0,0.0,889323.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1178708.375,1344250.625,978414.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "285.27547 Da 500.11 s",8.34,284.26820,"rebaudioside N","C56H90O32",2063643.375,1557509.125,1249712.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,878284.75,0.0,427205.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,511832.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "683.30685 Da 501.12 s",8.35,682.29957,"S4:17(P3:15/F1:2)","C29H48O15",6351339.0,5147216.5,8619542.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6261318.0,6233464.0,0.0,0.0,8843562.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2601975.5,1.1241972E7,4542560.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "666.30826 Da 501.52 s",8.36,665.30099,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",5259205.0,4161768.5,7369420.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4699952.0,4299773.5,0.0,0.0,6726616.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3255308.5,9634789.0,3691525.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "656.27923 Da 501.73 s",8.36,655.27196,"Coproporphyrin I","C36H38N4O8",1761883.875,1248259.125,1830579.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1585582.0,1535127.5,0.0,0.0,1571209.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1213598.75,2122386.0,1247421.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "553.37521 Da 502.48 s",8.37,552.36794,"Imatinib","C29H31N7O",0.0,0.0,0.0,0.0,862256.4375,1069915.25,1073702.875,0.0,0.0,1048602.25,1039655.6875,974944.8125,685705.625,770546.5,0.0,1032925.0625,1067664.25,1140461.375,967662.125,0.0,0.0,0.0,1123957.0,0.0,1067838.75,1071080.125,0.0,1146241.125,0.0,1156247.25,1214425.125,1269833.625,1086438.25,1212983.75,0.0,875385.3125 "601.49971 Da 502.56 s",8.38,600.49243,"Naringenin","C15H12O5",383490.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "586.48165 Da 502.78 s",8.38,585.47437,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,291394.0625,504790.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,114569.859375,0.0,366635.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "967.00756 Da 503.58 s",8.39,966.00028,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",0.0,580669.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "592.37657 Da 509.98 s",8.50,591.36930,"Azythromycin","C38H72N2O12",806154.1875,1250317.375,1059255.0,0.0,1804134.875,1463103.0,1428575.375,1055809.125,1361326.375,1148401.375,1525669.125,909340.75,1198552.375,1244974.375,1326668.375,1573706.125,1135485.625,1126722.75,1376539.75,1433410.25,1412821.875,1352253.5,1602280.625,970221.875,1033597.25,875476.25,0.0,1416853.875,0.0,1471645.875,0.0,1694737.625,0.0,1489083.0,1507451.25,1012581.125 "670.54637 Da 514.80 s",8.58,669.53910,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1620889.5,1514828.0,1599996.5,0.0,1724024.25,1740828.875,1669565.0,1354218.75,1635366.75,2291395.25,2074857.5,2183266.25,1842552.5,1323425.625,1751777.375,1585420.0,1509465.375,2026795.125,893887.0625,1398735.875,1852029.375,1922105.75,2610751.25,1577232.875,2284996.25,1504263.875,1645313.625,1962675.375,2068381.25,1884807.25,1889213.375,2321434.5,1740291.875,1588917.5,2233861.25,2190939.75 "431.33987 Da 516.46 s",8.61,430.33259,"Epinephrine","C9H13NO3",1184112.5,0.0,1487937.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,992755.375,0.0,0.0,1269952.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "466.32592 Da 516.92 s",8.62,465.31864,"Deoxycholic acid methyl ester","C25H42O4",0.0,0.0,0.0,0.0,0.0,1061721.625,1499034.875,0.0,995042.0,1067218.25,1189095.25,0.0,1271178.75,1136855.0,0.0,1343536.125,1302542.375,0.0,1140235.625,933535.3125,0.0,0.0,1201306.375,0.0,1286747.375,857862.5,0.0,976198.5,0.0,0.0,1328699.875,1390770.125,0.0,1263431.125,0.0,0.0 "369.36808 Da 517.18 s",8.62,368.36080,"Docosyl acetate","C24H48O2",0.0,0.0,1590141.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,590282.375,423071.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,326988.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "465.32199 Da 517.69 s",8.63,464.31472,"LPE O-18:1","C23H48NO6P",0.0,1168329.875,1272227.25,0.0,1191650.875,1889024.0,1834260.5,1788002.0,1919026.75,2183925.0,1556814.875,1459264.0,2023865.375,1489002.0,1657490.5,2141009.25,1740265.0,1532775.75,2040350.25,1757090.75,1491252.375,1833861.125,1935143.0,1411543.75,1892378.5,2266996.0,1115873.125,1408474.5,1201730.125,1844415.5,2107457.0,2260035.25,1813170.375,2591896.25,1390130.25,1793865.875 "600.53251 Da 518.43 s",8.64,599.52524,"Estrone","C18H22O2",1072494.0,861833.8125,1197580.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,862407.625,1157775.375,0.0,0.0,1059925.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,839664.5625,1348487.5,799093.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "240.06706 Da 521.76 s",8.70,239.05979,"(3R,4S)-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one","C11H12O6",2183758.5,1644835.25,1913038.0,0.0,1558953.375,1376594.25,1520066.875,1597903.375,0.0,0.0,0.0,1650243.375,0.0,1272171.0,0.0,1742378.375,0.0,1861236.25,0.0,1995038.625,1267866.125,1603268.375,1101158.25,0.0,1643867.375,0.0,0.0,0.0,1516689.75,1523912.625,2163586.5,1571826.25,0.0,1570293.5,0.0,0.0 "224.03586 Da 522.27 s",8.70,223.02859,"6-Methoxyflavonol","C16H12O4",1439724.375,1057412.625,866886.0625,0.0,1032152.0,1040777.875,1420183.0,0.0,0.0,0.0,0.0,0.0,1297569.25,856400.375,0.0,1295716.25,0.0,1031741.5625,0.0,1164316.375,1474833.0,1405053.25,955051.0625,0.0,1056622.5,0.0,0.0,0.0,0.0,1954386.5,1437338.875,1083995.125,0.0,0.0,0.0,0.0 "628.52710 Da 526.00 s",8.77,627.51983,"Estrone","C18H22O2",1106943.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,959426.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,276933.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "306.25580 Da 527.39 s",8.79,305.24853,"11.14.17-eicosatrienoic acid","C20H34O2",0.0,1017880.9375,0.0,0.0,0.0,1240679.75,1110025.125,1230916.0,0.0,0.0,0.0,1523534.375,2867755.25,0.0,0.0,941467.1875,0.0,1409310.875,1301663.75,0.0,0.0,1492999.125,0.0,1274065.5,1897085.125,1135499.625,2152686.5,2138421.25,2123564.5,1330578.25,1610061.5,2321615.5,1684866.625,1813295.75,2951263.0,1439966.125 "893.54130 Da 528.16 s",8.80,892.53403,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",4601217.0,3778189.75,1829160.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2943430.75,1694220.375,0.0,0.0,2875942.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5100527.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "588.51735 Da 530.49 s",8.84,587.51007,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",7979504.5,3476339.5,3477704.75,0.0,2748133.5,1429036.875,1715564.875,3570926.25,1348528.875,974374.8125,2079672.5,3390760.0,2376915.25,4135612.25,1928813.125,1424353.25,1577926.75,6635961.5,3061006.5,2381958.0,2070855.625,1461217.125,1552793.75,2243442.0,2160030.0,1827952.875,2880524.5,5797531.5,1777007.625,2098558.5,1195520.625,3662981.0,2234675.0,1339806.5,1381236.625,2273821.0 "512.48085 Da 531.73 s",8.86,511.47357,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",2.534248E7,1.9887894E7,3.8541764E7,0.0,2489571.0,2114256.25,3710499.25,3450805.0,2730751.5,6641847.5,5479480.0,5099322.0,3224715.0,3.0032378E7,2.7033068E7,3105967.0,2915987.75,2.7351736E7,2988372.75,2807615.25,1938929.25,4395212.0,7708544.5,2815615.75,6148943.5,2534132.0,1.7612102E7,3.8728868E7,2.2303988E7,2252681.5,2379663.75,7082782.5,2605960.5,3617556.0,4394178.5,3859895.75 "513.48385 Da 532.19 s",8.87,512.47657,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1.2005424E7,1.9346618E7,3.1996934E7,0.0,1297580.75,0.0,3572517.75,2867076.75,2277431.5,5358658.0,3611630.5,4727514.5,2293088.5,1.3057986E7,2.2884242E7,0.0,2065608.375,1.4538116E7,2262626.0,2756611.5,1363258.5,3433675.75,4336273.0,1891601.375,4469698.0,2237118.5,1.6404014E7,3.97918E7,1.6418295E7,1615066.75,1561491.5,6480319.0,1645631.625,2885787.75,3521136.5,4446019.0 "535.46662 Da 532.29 s",8.87,534.45935,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",2.2060666E7,1.9389148E7,2.4852774E7,0.0,6424915.0,5656465.0,8604632.0,6130562.5,6581015.5,1.1828409E7,9492054.0,1.1348877E7,6410593.0,1.9838326E7,1.8377798E7,6629507.0,5820536.0,1.8073812E7,7790213.0,6273749.5,4435407.5,6779056.0,1.0698912E7,6250881.5,1.0263835E7,6607387.0,1.6208408E7,2.5240062E7,1.9069034E7,6456274.0,6288946.0,1.1273251E7,6159336.0,7384941.5,9012379.0,9317480.0 "508.37569 Da 532.78 s",8.88,507.36841,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1.2699573E7,1.1942365E7,1.8272746E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8243987.0,0.0,0.0,0.0,1.1751062E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5790023.0,1.063209E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "258.24682 Da 533.43 s",8.89,257.23955,"[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate","C34H28O22",2.331127E7,1.8693872E7,3.2242464E7,0.0,2877559.5,2392345.5,4180188.5,3789297.5,3874943.5,6429049.5,5382929.5,5372503.5,3572269.75,2.3873154E7,2.3483142E7,2842470.5,1869248.25,2.4046484E7,4034138.0,3337924.75,2007790.625,5018158.0,6017723.5,2645611.75,6365699.0,3094011.0,1.4546648E7,3.999804E7,1.8806058E7,2953994.0,2178790.25,6642055.5,2399980.25,3685911.0,5072935.0,2411719.25 "603.45337 Da 533.70 s",8.90,602.44610,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,1277754.0,1188231.875,634531.0625,767259.875,1053104.0,0.0,1124589.875,0.0,1031136.1875,0.0,0.0,904999.125,833201.75,0.0,712707.5625,1478918.125,1381108.5,968463.8125,1387794.0,983784.5625,0.0,1196410.625,0.0,0.0,0.0,804356.25,1003058.1875,1005503.6875,792612.5625,730464.0,769093.25,986692.125 "670.43709 Da 536.52 s",8.94,669.42981,"PG O-30:5","C36H63O9P",0.0,0.0,0.0,0.0,716784.3125,711664.4375,608275.0,0.0,0.0,0.0,0.0,0.0,940289.875,0.0,0.0,552669.6875,800276.6875,515583.0625,641661.375,596360.0625,966890.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,606196.4375,0.0,0.0,396175.03125,0.0,0.0 "795.45300 Da 551.70 s",9.20,794.44573,"Mitragynine","C23H30N2O4",1240379.5,0.0,1067766.875,0.0,1029084.0625,1261061.0,1111271.25,0.0,1362632.5,1652138.625,1727123.5,1376354.25,1006419.3125,1110454.25,1138739.5,1000122.6875,1078882.125,0.0,1001193.9375,1053302.25,0.0,1193667.0,1465746.375,0.0,1658585.375,0.0,0.0,0.0,1060307.375,940653.3125,0.0,1565260.5,0.0,1461112.625,1142361.75,1084422.125 "628.46466 Da 552.80 s",9.21,627.45739,"Elaidic acid","C18H34O2",0.0,0.0,841963.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,734757.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,971885.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "586.49299 Da 553.98 s",9.23,585.48571,"Pregnenolone sulfate","C21H32O5S",0.0,0.0,0.0,0.0,0.0,458354.40625,0.0,0.0,0.0,0.0,0.0,0.0,792461.0625,0.0,0.0,103730.078125,0.0,856924.9375,0.0,0.0,0.0,747242.8125,0.0,0.0,1014922.6875,468800.90625,611348.1875,668588.6875,815148.8125,765078.75,1437524.0,1084168.375,807262.1875,1128178.125,1487916.25,1091178.0 "412.21371 Da 554.40 s",9.24,411.20643,"8-benzoyl-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0?,??.0?,??]pentadeca-7(12),8,10-trien-9-ol","C23H24O4",0.0,0.0,0.0,0.0,1229147.5,1486039.25,1370935.0,1684853.25,1354702.625,0.0,1500445.125,1258299.375,1199887.375,0.0,0.0,0.0,1338419.375,0.0,1291886.0,1304029.25,998193.5,1557982.875,1250453.0,1414577.875,1033793.75,1653891.25,0.0,0.0,0.0,1438121.375,2024151.0,1595938.625,1226729.0,1471320.0,1011654.4375,1598919.0 "480.20116 Da 554.74 s",9.25,479.19388,"4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate","C20H28O9",0.0,0.0,0.0,0.0,1152991.75,1199017.25,1178494.125,1643851.25,1304510.375,1394537.5,1330081.375,1081239.375,1487482.5,0.0,0.0,0.0,719208.875,0.0,1583002.5,731875.4375,1255472.25,1265357.375,1057917.0,1137679.75,1317170.5,1234830.625,0.0,0.0,0.0,976505.1875,956601.625,1191209.125,1475706.625,1060602.625,1514575.875,1493937.375 "418.23103 Da 554.86 s",9.25,417.22375,"Petroselinic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,1159440.875,0.0,0.0,0.0,1026055.5625,1074111.75,1009061.0625,1466245.875,0.0,0.0,1282036.875,0.0,0.0,0.0,1291334.25,0.0,0.0,1228866.125,0.0,1251992.875,1268734.5,0.0,0.0,1427037.25,1249141.25,1583532.625,1257588.0,979276.125,762415.0625,655601.75,1108470.5 "634.49545 Da 555.32 s",9.26,633.48818,"Grayanotoxin I","C22H36O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1174359.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,928944.0,0.0,0.0,0.0,0.0,1108971.625,1079977.5,1124420.25,1516733.25,744017.0,0.0,0.0 "670.57345 Da 559.93 s",9.33,669.56617,"(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4-diol","C35H50O16",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,405157.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,221556.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "967.00891 Da 563.20 s",9.39,966.00164,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",0.0,0.0,408422.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "285.27472 Da 567.23 s",9.45,284.26744,"4-Methylumbelliferone","C10H8O3",2390564.5,1893631.75,3361158.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1465669.75,1332809.125,414310.4375,0.0,2362900.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,604097.0,1348530.125,3073921.0,1197492.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "796.27948 Da 571.64 s",9.53,795.27221,"3Alpha-Hydroxy-4,4-Bisnor-8,11,13-Podocarpatriene","C15H20O",1166624.0,1230694.625,1156383.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1231593.5,867978.9375,0.0,0.0,1245916.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,751524.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "386.19715 Da 571.68 s",9.53,385.18988,"Phosphatidylcholine alkyl 16:0-22:1 / alkyl 18:0-20:1 / alkyl 18:1-20:0","C138H276N3O21P3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,491300.9375,346555.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.37103 Da 575.05 s",9.58,425.36375,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",222591.359375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "535.31052 Da 580.16 s",9.67,534.30324,"2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid","C22H30O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1050333.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1087991.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30237 Da 582.01 s",9.70,311.29509,"Arachidic acid","C20H40O2",0.0,0.0,531734.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,148078.171875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41208 Da 582.10 s",9.70,409.40481,"Squalene","C30H50",0.0,340792.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "280.24023 Da 584.52 s",9.74,279.23296,"Linoleic acid","C18H32O2",0.0,0.0,0.0,581109.5625,334039.4375,763813.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,686301.375,606988.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,481398.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "876.53865 Da 592.18 s",9.87,875.53137,"Rifapentine","C47H64N4O12",0.0,0.0,0.0,0.0,884295.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,843111.5,738051.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "338.24261 Da 598.14 s",9.97,337.23534,"Estrone","C18H22O2",0.0,0.0,1851587.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1458518.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1082973.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51214 Da 599.69 s",9.99,613.50486,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,433241.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,551791.125,0.0,0.0,0.0,0.0,0.0,0.0,1114992.625,1070103.5,0.0,0.0,0.0,437332.09375,0.0,0.0,0.0,0.0,0.0 "610.48080 Da 601.17 s",10.02,609.47353,"Estrone","C18H22O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,249856.796875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "670.57402 Da 601.28 s",10.02,669.56675,"Dolasetron","C19H20N2O3",0.0,0.0,939904.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,844134.1875,293776.3125,210478.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "370.30809 Da 601.95 s",10.03,369.30081,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,305626.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "600.49634 Da 603.81 s",10.06,599.48906,"Corticosterone","C21H30O4",0.0,1461525.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,291580.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,451454.96875,435140.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "228.20847 Da 604.77 s",10.08,227.20119,"(1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid","C16H18O9",0.0,0.0,750502.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,222689.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "466.31185 Da 608.18 s",10.14,465.30457,"Cholesterol sulfate","C27H46O4S",1701044.375,2248955.25,1876176.125,0.0,2053935.25,1631384.75,2357429.5,2200265.75,1632409.75,1871826.875,1901958.5,2433440.25,2188062.75,2308570.0,1821256.75,2276297.25,1964890.25,2190856.5,2168894.5,1948050.25,1745634.5,1720330.25,1935838.375,1972474.25,2221530.0,2042576.25,1807004.875,2749835.0,1838498.0,2158092.75,1971946.5,2587943.75,2366301.75,2109386.5,1878216.875,2371127.5 "424.39162 Da 610.17 s",10.17,423.38435,"(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0?,??.0?,?.0??,??]icosane-5,15-dicarboxylic acid","C30H46O5",0.0,0.0,443622.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1427909.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,870036.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "716.61659 Da 630.54 s",10.51,715.60931,"Stearic acid","C18H36O2",2325999.0,1876536.25,2478722.5,0.0,1695426.125,1761410.75,1158247.875,0.0,0.0,1423494.75,1400447.375,2513638.75,1093964.625,1710516.25,1756963.5,1602433.375,1421743.625,2317988.5,1158926.25,0.0,1735910.375,1160708.875,1143072.125,0.0,1075546.125,1592724.125,1610770.625,2095076.25,1069108.5,1693063.75,1198850.375,1508662.0,0.0,821532.0,1425788.125,1459602.25 "725.60525 Da 630.94 s",10.52,724.59797,"Sphinganine","C18H39NO2",839076.4375,1278744.125,1231132.5,0.0,1089198.75,1329654.125,1130660.625,945658.4375,876172.9375,1249287.0,1453821.5,1676223.5,1138489.0,1107884.5,1242163.75,1323780.125,1563415.125,1428054.875,554738.5,0.0,1360200.5,1545045.875,1466015.5,850492.125,1669970.0,1207434.5,1288653.5,1491430.625,1249897.125,1558693.625,1360677.125,1501211.75,1161144.25,1041444.0625,1566749.875,1729563.625 "717.61955 Da 630.95 s",10.52,716.61227,"Stearic acid","C18H36O2",2045526.0,2032240.875,2376911.0,0.0,1875875.25,1650934.625,0.0,0.0,0.0,0.0,1224404.375,2089778.375,0.0,1452297.25,1554161.5,1754144.375,1222291.75,1867951.5,0.0,0.0,932818.25,1001217.5,0.0,0.0,0.0,1474826.125,1637223.375,1855221.125,0.0,1682379.375,1423315.625,1471816.25,0.0,0.0,1159421.375,0.0 "626.51227 Da 631.09 s",10.52,625.50499,"Hexadecanedioic acid","C16H30O4",0.0,0.0,0.0,110314.4140625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,306317.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "424.33381 Da 631.85 s",10.53,423.32654,"Deoxyadenosine","C10H13N5O3",0.0,0.0,0.0,0.0,0.0,1334419.125,1310393.75,1216615.375,1327423.5,1471368.25,1556968.625,1641820.125,1442347.875,0.0,0.0,1363274.875,0.0,0.0,1261263.375,1693622.0,0.0,1315616.5,1239974.375,1056751.0,1378883.5,0.0,0.0,1233310.75,0.0,0.0,0.0,1510799.375,0.0,1296673.25,0.0,0.0 "536.40728 Da 632.38 s",10.54,535.40000,"Stearic acid","C18H36O2",1128629.875,1070202.125,1350690.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1397178.125,956041.625,0.0,0.0,1351037.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1364884.375,1397141.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "394.24018 Da 634.08 s",10.57,393.23290,"NCGC00381257-01_C20H30O5_1-Naphthalenecarboxylic acid, 5-[(3E)-4-carboxy-3-methyl-3-buten-1-yl]decahydro-3-hydroxy-1,4a-dimethyl-6-methylene-","C20H30O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1602972.875,1685527.125,871155.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1402948.0,1591179.0,0.0,1732682.625,0.0,0.0,0.0,0.0,0.0,0.0,1268622.75,0.0,0.0,1612035.625,0.0 "370.30796 Da 635.40 s",10.59,369.30068,"3-[(7S,8S)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid","C25H26O6",0.0,636077.5,0.0,0.0,0.0,0.0,1317346.25,0.0,0.0,0.0,0.0,0.0,0.0,88032.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.31321 Da 642.09 s",10.70,425.30594,"Amisulpride","C17H27N3O4S",1880800.5,1836802.625,1721293.125,0.0,1767483.5,2213145.5,1103290.5,1520992.375,1447481.25,2021592.375,2174387.0,1799015.875,1376602.125,2498878.5,2106999.0,2134698.25,1366252.25,1693734.0,1212304.75,1581227.0,1263998.0,1032707.875,1665537.25,1570881.5,1332908.25,0.0,1269916.5,1253005.125,1711029.375,1524367.5,1198600.375,2634608.0,1868656.875,1485542.375,0.0,1492428.125 "424.29715 Da 642.93 s",10.72,423.28987,"Isomuronic acid","C21H34O5",1491372.375,1100639.5,1280936.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1324320.0,1279675.375,0.0,0.0,1751059.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1309493.5,1467163.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "493.35379 Da 648.63 s",10.81,492.34652,"LPE O-20:1","C25H52NO6P",0.0,1087211.375,0.0,0.0,905888.125,1099826.625,1185874.625,1210815.625,931730.9375,805671.125,0.0,997233.3125,953897.0,1249373.0,0.0,1207661.25,800540.0625,1196275.375,797458.0625,1224248.0,1107420.5,0.0,1460715.0,859247.5625,1049353.625,1626921.625,1120222.75,1170412.125,843457.75,954395.4375,1449068.75,1743072.625,940681.6875,981205.1875,1192692.625,1307777.375 "410.41202 Da 651.61 s",10.86,409.40475,"Squalene","C30H50",474461.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "719.28565 Da 654.95 s",10.92,718.27838,"Carnosine","C9H14N4O3",0.0,0.0,1290198.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,757153.1875,1099283.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1003554.3125,938085.125,0.0,1033510.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,777108.625,0.0 "959.56807 Da 655.86 s",10.93,958.56079,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1885377.625,895137.25,1237654.125,0.0,0.0,0.0,0.0,0.0,4381464.5,0.0,0.0,0.0,1478501.375,606611.75,0.0,1350085.5,0.0,0.0,0.0,0.0,0.0,0.0,868797.6875,0.0,0.0,1110949.625,1704941.125 "616.54602 Da 655.87 s",10.93,615.53874,"Stearic acid","C18H36O2",2692012.5,1447664.0,5514812.0,0.0,1444273.75,1006613.125,2068841.75,997009.1875,1224292.25,929879.75,1427735.375,0.0,836926.3125,3268627.75,2065221.25,0.0,1592940.125,2155941.75,942928.875,1330506.375,0.0,1499586.5,1334025.875,0.0,763818.625,1081425.25,1129850.125,1820114.375,1061195.5,1164953.125,0.0,1041013.875,1304020.125,1329228.5,1133547.125,1412522.0 "592.53219 Da 656.30 s",10.94,591.52491,"PE(18:0/18:0)","C41H82NO8P",4672057.0,2429110.25,2061204.5,0.0,2058661.125,1857081.125,2406815.0,1715968.625,1653520.125,3253973.75,1625148.5,2122139.25,2107307.0,3964593.5,4347042.5,2088125.5,2036318.25,3949477.5,1922457.875,1793348.25,2152968.5,2530635.0,1764009.875,2348241.25,1537538.125,1047486.1875,2321425.25,3199660.0,2449378.5,2061067.0,1577493.125,1494203.25,1892063.625,1775674.625,1370105.375,2541652.5 "369.24910 Da 656.79 s",10.95,368.24183,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,1723787.5,1349162.0,1351169.5,1990158.375,1868383.0,1138411.375,1631879.5,826957.125,1145501.0,0.0,0.0,1806083.125,2384325.5,0.0,1937418.875,1173392.25,1491584.25,1771113.75,1603168.875,1848408.25,1852650.625,2254433.5,1215694.0,2034022.5,1462789.75,1396720.75,1525824.5,2011642.5,2055052.5,1915154.625,1411281.375,2039056.375 "643.58354 Da 657.27 s",10.95,642.57627,"Stearic acid","C18H36O2",8447010.0,6911450.5,1.5250945E7,0.0,3707764.75,2911163.75,1788481.375,0.0,0.0,1575194.375,3270007.75,5698122.0,0.0,5763394.5,6721361.0,3025269.0,3096111.0,9272052.0,0.0,0.0,2316578.5,2878394.75,2533514.25,0.0,2546630.5,2108276.25,2850629.0,1.1815077E7,3100882.0,3108477.75,2522733.25,4046063.0,0.0,0.0,3291021.75,1265311.25 "286.27806 Da 657.78 s",10.96,285.27079,"Chloridazon","C10H8ClN3O",8702513.0,8478802.0,1.6991924E7,0.0,3884135.75,3651093.25,2108675.75,3608675.0,3205268.5,5150503.0,4922952.0,5860311.5,3998288.25,8548605.0,9387608.0,3797032.0,2444077.25,1.454557E7,3960405.5,3206276.75,3599836.75,4995403.5,4808179.5,3398301.5,4188127.75,3455598.25,4121284.5,1.9987538E7,6366482.0,4267368.0,3011606.25,5989724.0,3051780.75,3807494.75,5385495.5,3950751.0 "720.48342 Da 658.82 s",10.98,719.47614,"Naltrindole","C26H26N2O3",0.0,0.0,0.0,0.0,832913.0625,981682.75,619708.625,1708630.75,1329555.25,560981.5,0.0,688168.125,1027590.25,0.0,0.0,0.0,1167469.25,0.0,1286693.75,838601.375,1152609.875,1442159.375,493361.375,733868.1875,1092729.0,591740.75,363277.5625,0.0,0.0,1546142.5,1372246.0,712984.0,661316.4375,1236810.875,1098995.625,1010697.4375 "726.50010 Da 660.74 s",11.01,725.49282,"(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","C23H40O5",0.0,1369229.375,0.0,908937.625,554970.75,838937.4375,1109034.375,914297.375,907275.25,869612.8125,785376.6875,0.0,734757.0625,0.0,0.0,1002282.1875,1325728.0,0.0,508979.28125,919171.75,1058345.75,1494949.5,1556772.5,1146893.125,1200313.75,979634.875,805636.0,0.0,712983.0625,910929.125,1118877.5,1079293.875,705879.0625,819284.5625,620388.0625,782214.4375 "482.21742 Da 661.88 s",11.03,481.21014,"Naltrindole","C26H26N2O3",0.0,0.0,0.0,1351965.375,1747830.875,1427904.875,1288547.75,900223.5625,0.0,1423779.875,1356562.5,617144.6875,1537183.875,0.0,0.0,0.0,1279758.875,0.0,1413299.375,1576935.625,471797.59375,1529974.875,1231602.75,896608.1875,688748.75,1257628.875,0.0,0.0,0.0,873884.6875,944001.625,1370755.5,1706735.125,1629111.625,1777079.875,1579504.75 "550.20515 Da 662.08 s",11.03,549.19787,"Naltrindole","C26H26N2O3",0.0,0.0,0.0,0.0,0.0,1059705.25,0.0,516565.3125,1339599.875,0.0,0.0,1096304.25,1151066.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,916542.1875,844054.3125,0.0,0.0,0.0,0.0,0.0,1010372.125,0.0,0.0,803493.8125,0.0,0.0 "446.22889 Da 672.52 s",11.21,445.22161,"8-benzoyl-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0?,??.0?,??]pentadeca-7(12),8,10-trien-9-ol","C23H24O4",2030923.5,1891123.375,2011874.25,0.0,0.0,0.0,2057527.625,2427863.25,2136044.5,2847874.0,3298364.75,3558042.75,1910413.125,2083477.625,1986251.75,1082264.875,1407503.125,2157913.5,1451257.5,2158498.25,0.0,3453063.75,2222083.0,1666937.25,2295018.25,0.0,1982851.75,833888.6875,1739350.625,0.0,0.0,3727170.25,1781140.0,1860956.0,2483673.75,3243340.0 "816.50970 Da 672.84 s",11.21,815.50242,"2-hydroxy-4-methoxy-3,5-bis(3-methylbut-2-enyl)-6-(2-phenylethyl)benzoic acid","C26H32O4",1471624.0,1517488.375,1890065.5,0.0,0.0,0.0,1647044.25,2062722.0,1482806.5,4909654.0,4967882.5,5038135.0,1716986.75,1263127.75,1476505.875,0.0,0.0,2847014.75,1531724.375,1832750.625,0.0,4935529.0,6125586.5,1433076.0,6699171.5,0.0,1259245.375,1430326.125,1454575.25,0.0,0.0,5456429.0,1251351.5,1530410.625,4337697.0,3670125.5 "444.23141 Da 672.85 s",11.21,443.22414,"8-benzoyl-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0?,??.0?,??]pentadeca-7(12),8,10-trien-9-ol","C23H24O4",2151139.0,2373246.25,2756595.75,0.0,1428338.125,1925827.625,2692673.5,2384209.25,2081655.875,3733055.5,3645883.75,3894564.5,2694332.0,2813351.5,2289138.25,1737262.375,1268532.25,2801417.25,2122878.0,2525165.0,1324284.125,3693747.75,3523005.0,2560696.75,4015279.5,1621413.625,2423186.0,1815667.375,1710530.125,1267382.875,1554203.125,3631809.75,1985276.875,2025121.25,3097392.5,3514761.75 "476.24228 Da 672.88 s",11.21,475.23501,"8-benzoyl-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0?,??.0?,??]pentadeca-7(12),8,10-trien-9-ol","C23H24O4",1315079.0,1698874.75,1676280.125,0.0,0.0,0.0,1320551.375,1385498.5,1300654.25,2769343.25,2476090.75,2332969.75,1307328.0,1449091.125,941090.25,0.0,0.0,1441326.125,1426204.25,1193447.375,0.0,2404572.5,2915877.5,1043018.625,3072086.5,0.0,1887487.0,0.0,1350906.0,0.0,0.0,2835319.75,1049696.0,1497980.875,2114055.25,1987275.875 "819.51012 Da 672.94 s",11.22,818.50285,"2-hydroxy-4-methoxy-3,5-bis(3-methylbut-2-enyl)-6-(2-phenylethyl)benzoic acid","C26H32O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1940909.25,1764374.5,2953608.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1827189.5,1631083.875,0.0,2037852.0,0.0,0.0,0.0,0.0,0.0,0.0,2143038.0,0.0,0.0,1858877.0,1770886.5 "411.25471 Da 672.98 s",11.22,410.24744,"4-[2-(6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl)ethyl]-2-hydroxy-2H-furan-5-one","C20H30O6",1357884.25,2114800.75,3290400.25,0.0,0.0,0.0,2265623.75,1454095.875,1279538.875,5727068.0,2789293.25,5812748.0,1528156.25,1863063.875,1448557.625,0.0,1021909.0,1958093.25,1374963.75,1268358.875,0.0,2879035.25,5919115.5,1866738.5,3091022.75,0.0,1944309.625,1288511.5,2066335.375,0.0,0.0,5126303.0,1640251.75,2205795.0,2420126.75,3926753.25 "912.57555 Da 674.25 s",11.24,911.56827,"PI 40:5","C49H85O13P",662593.875,771573.625,1125385.125,0.0,1158302.5,981451.4375,921855.875,941306.0,745231.4375,974417.625,481691.84375,942338.6875,719113.5,677140.25,724813.6875,1004172.875,922886.125,965287.625,830156.6875,742117.9375,889958.25,0.0,919276.6875,931334.3125,938338.875,1015171.9375,794977.8125,1151424.875,880078.25,935739.8125,745045.5625,1061421.25,717247.25,1135036.375,1156560.875,762964.6875 "913.57819 Da 674.97 s",11.25,912.57091,"PC 42:10","C50H80NO8P",1156505.875,0.0,559199.375,0.0,1267833.5,1289967.0,1165619.125,971387.375,983386.9375,0.0,702147.8125,0.0,896966.75,0.0,0.0,1500876.875,724586.75,0.0,672109.8125,1089095.125,693576.0625,0.0,0.0,972296.0625,0.0,1051659.625,0.0,1041437.125,0.0,1063178.25,730166.625,0.0,921405.875,712477.375,0.0,0.0 "313.30607 Da 676.95 s",11.28,312.29880,"Agaric Acid","C22H40O7",756824.375,0.0,451457.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,466263.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "915.59347 Da 677.45 s",11.29,914.58620,"[2-[docosa-7.10.13.16-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C49H87O13P",2498336.5,2685013.75,3324255.25,886470.1875,5174469.5,4614811.5,4269833.0,4185272.75,3887552.75,3924346.25,4438189.5,4330983.0,3426292.0,2916801.25,2425409.25,5437980.5,5736054.5,3369742.5,3708787.75,4314920.0,3533025.75,3334836.75,2142686.25,3447913.75,5027700.5,4116160.75,2253680.0,3974254.75,2298420.25,3742664.25,3498919.5,4123449.25,3455328.5,3670902.75,3214631.25,2930647.0 "914.59115 Da 678.94 s",11.32,913.58387,"[2-[docosa-7.10.13.16-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C49H87O13P",1929603.5,2024045.125,2016703.875,830906.75,3041983.5,2916267.0,2866292.75,3028917.5,2301983.0,3292014.5,2660771.25,2972716.75,2550194.25,1864691.125,1905773.25,3131773.25,3396923.25,2009080.375,2641032.5,2610411.75,2271715.25,2905445.5,3053356.0,2358148.25,3404212.25,3105459.0,1784234.0,2422536.75,1780012.5,2788811.5,1994159.375,2856725.0,2068966.25,2597318.25,2536916.75,1990940.5 "840.49468 Da 683.22 s",11.39,839.48740,"Abietic acid","C20H30O2",0.0,0.0,0.0,0.0,929104.6875,1051960.0,865669.9375,1021715.375,782171.25,765745.0625,1075288.0,937662.75,0.0,0.0,0.0,981972.8125,821627.125,0.0,1042775.5625,0.0,1090488.625,993283.25,1313792.25,768218.1875,1129978.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "730.18520 Da 684.45 s",11.41,729.17793,"6-Methoxyflavonol","C16H12O4",944095.8125,0.0,899497.75,0.0,0.0,1247296.375,874717.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,916983.5625,0.0,785435.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,820758.9375,862020.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "841.49643 Da 684.61 s",11.41,840.48916,"PG 42:10","C48H75O10P",0.0,0.0,0.0,0.0,941307.5,518621.28125,0.0,0.0,745438.0625,0.0,976647.0625,641905.9375,0.0,0.0,0.0,978087.3125,958853.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1242423.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "514.22733 Da 686.55 s",11.44,513.22005,"2-[3-[(E)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid","C32H46O10",0.0,0.0,0.0,0.0,0.0,0.0,1784648.875,1197740.625,1240240.25,1453101.75,1532218.125,1592181.75,917584.375,0.0,0.0,0.0,0.0,0.0,1200355.875,1356948.5,0.0,1352464.25,1051312.125,1136919.25,1410821.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1212351.875,1444729.125,0.0,1269465.75 "837.55103 Da 687.29 s",11.45,836.54375,"PS 18:0_22:5","C46H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,194359.546875,0.0,60151.8203125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,79006.78125,0.0,0.0,0.0,0.0,0.0,117574.796875,0.0 "512.28420 Da 690.29 s",11.50,511.27692,"8-benzoyl-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0?,??.0?,??]pentadeca-7(12),8,10-trien-9-ol","C23H24O4",0.0,0.0,1037783.25,0.0,0.0,0.0,0.0,0.0,0.0,1429622.125,1441210.625,958131.0,0.0,0.0,0.0,0.0,0.0,1020568.0625,0.0,0.0,0.0,1377170.375,877420.3125,0.0,1809254.5,0.0,0.0,0.0,0.0,0.0,0.0,1351413.5,0.0,0.0,904696.5,1210411.875 "410.41217 Da 695.06 s",11.58,409.40489,"Squalene","C30H50",510867.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "394.30548 Da 696.83 s",11.61,393.29821,"Heneicosanoic acid","C21H42O2",880848.75,1107771.5,1535323.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1165631.0,1325778.0,0.0,0.0,1790707.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,577915.875,1123675.125,725832.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "462.29289 Da 698.24 s",11.64,461.28561,"Heneicosanoic acid","C21H42O2",833055.875,621236.125,859994.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,460509.0,556272.75,0.0,0.0,1064820.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,986179.375,506790.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.21958 Da 699.87 s",11.66,269.21230,"Estrone","C18H22O2",328505.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "462.31342 Da 701.32 s",11.69,461.30614,"(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4-diol","C35H50O16",0.0,0.0,995240.0,0.0,885018.9375,548291.375,611130.875,742082.125,701758.75,1102977.125,738303.375,1140727.375,587960.375,0.0,0.0,1092821.125,708921.1875,1008528.4375,1185918.0,594469.125,1010504.375,1114194.125,1060656.0,1001820.3125,778349.25,604878.625,0.0,852221.5625,0.0,0.0,0.0,546668.5,912454.125,1104159.625,1059820.375,902888.5625 "967.00804 Da 703.16 s",11.72,966.00077,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",0.0,609191.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,577317.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "867.51387 Da 704.90 s",11.75,866.50660,"Corticosterone","C21H30O4",0.0,1530368.0,709063.375,1525718.375,4978019.0,8415621.0,7664083.5,5875337.0,6736714.5,7674805.5,7212496.0,6956526.5,751722.0625,1557125.25,721237.1875,6456073.5,8143754.0,1203678.5,5344860.0,5690025.5,3618657.75,3844014.25,7141723.0,4000471.75,8839773.0,954600.375,0.0,0.0,0.0,1292795.75,800417.75,1252191.125,988033.625,1278198.5,842117.75,966971.75 "613.49878 Da 705.18 s",11.75,612.49150,"Estrone","C18H22O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,189191.125,150223.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "868.51559 Da 705.55 s",11.76,867.50831,"PG 44:11","C50H77O10P",0.0,560058.5,0.0,0.0,1659181.0,2431883.5,2546995.75,1853350.375,2467484.25,2440666.5,2312491.5,2016969.125,0.0,845903.8125,0.0,2185902.25,1098515.125,1124183.0,1801604.25,1873538.375,1202750.375,1408558.375,1854327.25,1184851.875,2897696.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "607.40642 Da 705.80 s",11.76,606.39914,"Metoprolol","C15H25NO3",2950724.5,2378276.75,3036932.75,0.0,0.0,0.0,985710.1875,1447355.875,1442810.875,1797321.5,1571799.875,1579661.125,1536616.25,2384293.25,2768764.25,0.0,0.0,3068414.5,1432097.875,1106532.75,0.0,1599447.5,1819925.0,1568548.0,1499575.375,0.0,2507499.5,2931170.25,2262708.5,0.0,0.0,1524626.25,918588.0625,1047142.0625,1511661.75,2084766.75 "935.50075 Da 706.18 s",11.77,934.49347,"alpha-Solanine","C45H73NO15",0.0,0.0,0.0,0.0,871565.5625,1547311.0,1275164.5,994959.0,1230883.125,1312616.5,1280245.875,1215478.875,0.0,0.0,0.0,1318663.0,839880.1875,0.0,1171590.875,874595.625,0.0,793178.125,1018392.25,0.0,1384103.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "866.51004 Da 706.50 s",11.77,865.50276,"PG 44:12","C50H75O10P",489985.5625,1287151.125,1241353.25,1346504.25,3815911.75,5393719.0,4968132.0,4347779.0,4362383.5,4959561.0,4586561.5,4788077.5,1067231.5,1363731.25,1203069.5,4194151.0,5277903.5,2336749.75,4164197.25,3393218.0,2528945.0,2626287.75,4748040.0,2919002.5,5856172.5,1348244.5,0.0,0.0,0.0,1084483.625,1383337.25,1176364.75,1023121.875,1262771.25,871396.375,970840.9375 "1002.48496 Da 706.83 s",11.78,1001.47769,"(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-[(2R,4'S,7'S,8'R,9'S,13'R,14'R,16'R)-7',9',13'-trimethyl-5-methylidene-16'-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0?,?.0?,?.0??,??]icosan]-18'-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol","C45H70O16",0.0,0.0,0.0,0.0,922831.9375,1150995.5,568850.25,767247.1875,1013029.125,807854.0,981450.5625,589019.6875,0.0,0.0,0.0,1078826.125,692444.5,0.0,529419.75,672877.8125,0.0,0.0,986460.25,0.0,791863.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "934.49797 Da 707.26 s",11.79,933.49069,"alpha-Solanine","C45H73NO15",0.0,0.0,0.0,0.0,979777.75,1344238.875,1300831.625,1091276.875,1126536.0,1132381.25,947508.125,1152540.375,0.0,0.0,0.0,1033125.9375,1125659.625,1005924.25,946444.75,856365.875,844737.0,1142635.25,976245.8125,751581.25,1284628.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.31836 Da 717.42 s",11.96,409.31109,"Asiatic acid","C30H48O5",3584215.5,3813961.5,4384086.5,0.0,1572209.5,1497766.25,1481389.0,1700563.875,1780993.625,2542906.0,2277697.5,2771013.5,1567963.75,3684056.0,3274243.25,1443913.25,1418513.125,5056282.0,1368287.375,1471042.375,1629128.875,2350321.5,3170781.0,1481605.125,2995511.0,1873517.875,4618647.0,4805791.0,2403864.75,2384017.0,1430224.75,2238812.0,1562316.0,1704271.625,2075597.25,1968821.0 "792.49431 Da 721.91 s",12.03,791.48704,"PS 44:12","C50H74NO10P",0.0,0.0,0.0,0.0,743530.5,755792.5625,741971.25,465146.375,573524.5625,834471.8125,1216790.375,739000.6875,0.0,0.0,0.0,614050.6875,919912.25,0.0,690308.875,628909.5625,0.0,0.0,811628.9375,829784.1875,1266783.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "1032.70696 Da 722.88 s",12.05,1031.69969,"Cholic acid","C24H40O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,971077.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,734535.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "666.54297 Da 724.61 s",12.08,665.53569,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,661880.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,712007.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,291591.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "818.61265 Da 724.64 s",12.08,817.60537,"3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholan-24-oic acid","C24H40O5",1786755.5,1380355.875,2628914.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1908404.5,1538422.0,0.0,0.0,2116706.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,765726.4375,2847417.75,782316.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "870.53401 Da 724.73 s",12.08,869.52674,"Furostane base -1H2O -2H + 1O, O-Hex, O-Pen-dHex","C44H70O17",0.0,0.0,0.0,0.0,0.0,838593.125,0.0,0.0,0.0,631842.125,748976.5,853600.125,0.0,0.0,0.0,1026705.625,944568.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,696368.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "816.60549 Da 725.04 s",12.08,815.59822,"Cholic acid","C24H40O5",3929601.25,3164248.75,4627267.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3246763.25,3380201.75,0.0,0.0,4074989.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2033439.5,5254751.0,2166087.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "452.36544 Da 728.16 s",12.14,451.35816,"Deoxyadenosine","C10H13N5O3",816162.75,617184.0,726908.5625,0.0,949519.9375,572932.5625,741950.0,895230.0625,814638.625,670632.8125,604565.1875,733169.25,1043518.25,0.0,0.0,893234.5,623093.8125,583350.125,591003.125,774962.5,540827.9375,696057.875,885123.3125,562740.3125,662253.625,706694.0,0.0,584858.0625,0.0,672377.9375,830479.875,622253.125,833377.5,580350.5625,689805.4375,613120.6875 "598.30322 Da 728.27 s",12.14,597.29595,"Phosphatidylinositol 16:0-20:3","C45H81O13P",0.0,0.0,0.0,0.0,0.0,0.0,755734.1875,931360.9375,0.0,773113.3125,1032439.5,708472.6875,810058.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,990417.0,0.0,888776.25,0.0,0.0,0.0,0.0,0.0,0.0,856811.6875,0.0,0.0,0.0,0.0 "310.28707 Da 731.05 s",12.18,309.27980,"Eicosenoic acid","C20H38O2",0.0,779156.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "818.50988 Da 732.94 s",12.22,817.50260,"PG 18:2_22:6","C46H75O10P",0.0,755221.0625,0.0,0.0,868396.25,1315246.875,926909.625,929364.125,896903.0625,1076445.5,1102894.25,1273279.625,0.0,511126.6875,0.0,1023075.3125,1040148.875,663712.5,762017.75,806520.9375,1015937.0625,780859.1875,1144796.125,752345.3125,1157849.5,959566.875,0.0,0.0,0.0,461153.125,626644.1875,543511.4375,543481.9375,0.0,0.0,826868.125 "638.51168 Da 733.92 s",12.23,637.50440,"Ginsenoside F1","C36H62O9",1501406.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "670.57372 Da 736.40 s",12.27,669.56645,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,749282.75,257053.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,110891.6171875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "804.20347 Da 737.59 s",12.29,803.19620,"6-Methoxyflavonol","C16H12O4",1108892.375,1128686.5,1288497.875,0.0,0.0,1216282.125,773444.125,730834.3125,0.0,979946.0,0.0,0.0,1016686.8125,852080.625,763048.6875,0.0,646894.625,826683.5625,0.0,1123460.875,1040690.625,948348.0,0.0,0.0,0.0,908492.5625,850733.4375,1035080.375,1032374.75,924794.5625,0.0,935008.5,0.0,700927.1875,0.0,0.0 "284.27146 Da 739.13 s",12.32,283.26419,"Stearic acid","C18H36O2",0.0,5401485.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2557561.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2375975.25,0.0,0.0,0.0,0.0 "837.54924 Da 739.18 s",12.32,836.54197,"PS 18:0_22:5","C46H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,186413.515625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "598.48078 Da 741.67 s",12.36,597.47350,"Hexadecanedioic acid","C16H30O4",693081.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "485.31275 Da 742.83 s",12.38,484.30548,"methyl 3,4,5-trihydroxycyclohexene-1-carboxylate","C8H12O5",1219445.875,1111117.75,1616989.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1118696.0,1537232.0,0.0,0.0,1883772.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1489025.625,1329842.0,945533.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "844.52548 Da 745.58 s",12.43,843.51820,"PG 42:9","C48H77O10P",0.0,0.0,0.0,0.0,555436.125,743102.8125,483026.15625,696334.4375,0.0,790150.25,685728.9375,1233563.75,0.0,0.0,0.0,656912.375,588998.75,467806.28125,824394.5,0.0,565961.1875,643393.125,976869.125,0.0,658983.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "380.28983 Da 748.34 s",12.47,379.28256,"Arachidic acid","C20H40O2",0.0,0.0,994616.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1211104.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "789.54923 Da 752.97 s",12.55,788.54196,"PS 18:0_18:1","C42H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,199350.390625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "807.49913 Da 755.12 s",12.59,806.49185,"PC(18:1/8,9-EpETE)","C46H80NO9P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,637376.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,824610.0625,0.0,1052543.75,0.0,0.0,1009521.1875,842082.4375,0.0,0.0,0.0 "326.31817 Da 756.41 s",12.61,325.31089,"Gibberellic acid","C19H22O6",416815.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "797.52081 Da 758.02 s",12.63,796.51354,"2-Methoxyestradiol","C19H26O3",0.0,0.0,0.0,0.0,1058527.75,910103.1875,839887.5,1334358.125,960068.75,835073.9375,516634.0625,787066.9375,0.0,0.0,0.0,896229.125,894035.9375,1132108.25,826330.1875,1344032.875,756494.0625,0.0,722180.75,914604.0,815893.625,774206.4375,0.0,0.0,0.0,0.0,0.0,866010.0,754977.75,596081.8125,0.0,0.0 "615.51509 Da 759.62 s",12.66,614.50782,"NCGC00380709-01_C32H36N2O5_(3S,3aR,4S,6S,6aR,7E,10S,11Z,13R,15E,17aR)-6,13-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylene-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione","C32H36N2O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,350486.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "666.54297 Da 761.42 s",12.69,665.53569,"Ursocholanic Acid","C24H40O2",966314.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,125741.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "924.49767 Da 766.02 s",12.77,923.49039,"PI 36:5","C45H77O13P",0.0,0.0,0.0,0.0,0.0,716185.75,803674.375,468606.125,640433.4375,651621.25,0.0,974668.75,936065.125,0.0,0.0,839386.3125,921449.3125,0.0,852513.8125,880619.9375,0.0,0.0,727641.75,0.0,711787.1875,523546.96875,0.0,0.0,0.0,863550.5,0.0,838323.75,961829.0,481557.09375,0.0,0.0 "795.51305 Da 769.05 s",12.82,794.50577,"Prednisone","C21H26O5",0.0,0.0,0.0,0.0,1013712.8125,1484612.25,1553174.0,1095876.0,1575883.0,1644797.5,1124311.625,1412550.625,0.0,777684.4375,0.0,1622391.0,739244.4375,973957.375,849824.375,790169.125,0.0,762920.625,1558089.25,1066496.875,1446290.25,818486.75,0.0,0.0,0.0,0.0,0.0,742079.3125,720522.9375,751404.8125,0.0,0.0 "823.60100 Da 770.70 s",12.85,822.59372,"Ethyldodecanoate","C14H28O2",2282741.25,1400430.375,2514572.5,0.0,0.0,0.0,0.0,798117.8125,0.0,648716.125,1152959.0,866051.0,477497.9375,1924179.75,1786035.375,0.0,0.0,2441508.0,0.0,701067.5,0.0,1034941.375,1133181.5,0.0,778864.375,0.0,1735584.875,2416544.5,1281261.75,0.0,0.0,1164470.0,0.0,0.0,1138923.125,848645.8125 "956.50063 Da 772.23 s",12.87,955.49335,"[2.3-dihydroxypropoxy][2-[docosa-4.7.10.13.16.19-hexaenoyloxy]-3-[octadec-9-enoyloxy]propoxy]phosphinic acid","C46H77O10P",0.0,0.0,0.0,0.0,1061200.0,772017.0625,630834.6875,1116568.5,867940.6875,723750.875,691929.625,795610.375,0.0,579885.0,0.0,849778.0,717141.1875,674449.75,803668.875,1247361.625,943383.25,597919.4375,770975.0625,622873.25,829145.8125,873523.125,0.0,0.0,0.0,0.0,765020.5,745394.3125,0.0,0.0,0.0,0.0 "355.35285 Da 773.64 s",12.89,354.34557,"Tricosanoic acid","C23H46O2",0.0,759202.8125,661904.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,735320.375,762374.75,0.0,0.0,968130.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1126945.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "721.30115 Da 775.50 s",12.93,720.29387,"NCGC00380931-01_C26H42O10_","C26H42O10",0.0,0.0,862804.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,690265.0625,1125137.5,0.0,1254394.375,994811.125,0.0,0.0,1316873.125,0.0,0.0,0.0,0.0,758912.3125,0.0,1223846.5,0.0,0.0,0.0,0.0,0.0,0.0,1225710.375,0.0,0.0,0.0,0.0 "635.43744 Da 776.16 s",12.94,634.43016,"3-oxo-C10-homoserine lactone","C14H23NO4",2204775.5,1690928.125,2279176.25,0.0,0.0,0.0,1090332.75,1052029.75,901445.75,1675691.875,1723682.875,1261135.0,692874.25,1855958.125,1783041.5,0.0,0.0,2328448.0,994770.4375,951907.375,0.0,969591.5,1451687.875,1193040.875,1208113.25,0.0,1727309.75,2274016.25,1857034.125,0.0,0.0,1206052.25,1013970.375,1168283.125,1094531.25,1383302.25 "366.34947 Da 776.29 s",12.94,365.34219,"Nervonic acid","C24H46O2",2703548.0,0.0,1350641.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2250562.75,2026619.125,0.0,0.0,1590651.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1588926.125,1710970.0,800983.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "747.50655 Da 778.36 s",12.97,746.49927,"(2-{[2-[hexadec-9-enoyloxy]-3-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium","C38H74NO8P",0.0,0.0,0.0,0.0,0.0,352012.78125,1069429.75,0.0,0.0,505469.96875,719295.125,481808.5,0.0,829489.375,0.0,544534.9375,458805.84375,224514.078125,618153.6875,794659.75,0.0,0.0,974368.625,0.0,783525.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "926.58589 Da 780.58 s",13.01,925.57862,"[3-[hydroxy-[2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate","C45H87O13P",0.0,1212187.125,0.0,0.0,893269.0,1016827.375,1204812.125,1409744.375,1073690.0,1130878.125,1031963.25,0.0,674328.9375,612732.5,850041.6875,1076361.25,1492421.625,1331198.75,815773.3125,1273464.5,811523.5625,1056777.25,1218206.25,1371215.25,928921.75,854160.6875,0.0,0.0,0.0,876046.0625,964316.4375,993565.6875,988509.8125,791887.5625,824143.5,0.0 "879.22344 Da 780.82 s",13.01,878.21616,"6-Methoxyflavonol","C16H12O4",1799875.5,1035319.4375,1100076.75,0.0,891563.125,854120.8125,1115336.0,708710.0,1058507.0,1127093.625,738782.6875,1065247.125,1241918.125,927316.6875,579300.125,825899.25,969771.9375,773899.8125,0.0,1266575.75,1021523.875,890454.9375,944253.5,0.0,773351.3125,847367.3125,1087742.875,861767.0,1037638.3125,983341.5,737260.375,1143407.75,1101023.375,971655.0625,910956.9375,0.0 "394.38082 Da 781.01 s",13.02,393.37354,"Hederagenin","C30H48O4",569366.875,158912.078125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "917.54028 Da 781.89 s",13.03,916.53300,"PE(18:2e/7-HDoHE)","C45H76NO8P",0.0,663763.75,0.0,0.0,735342.3125,777809.9375,773153.25,1108216.25,512399.125,1021654.6875,905818.0625,794004.875,1007278.5625,666876.875,711800.75,1009321.4375,712537.6875,772629.125,442994.0625,1055151.75,624456.125,792429.625,684593.3125,624565.375,551717.0,495760.8125,1114627.75,497160.46875,805050.8125,616547.9375,794532.625,803282.0625,925606.75,1191839.625,989704.6875,347572.5625 "976.53017 Da 787.96 s",13.13,975.52290,"PI 40:7","C49H81O13P",0.0,0.0,0.0,0.0,0.0,0.0,626471.9375,672429.4375,0.0,914714.1875,0.0,0.0,919623.6875,862289.5,0.0,0.0,848873.8125,0.0,0.0,1018853.75,0.0,0.0,924600.5,0.0,0.0,744246.125,1004333.6875,0.0,1082743.0,863215.9375,0.0,917743.125,870034.25,1093162.625,1076902.25,848587.4375 "811.51575 Da 788.35 s",13.14,810.50848,"Aleuretic Acid","C16H32O5",0.0,0.0,0.0,0.0,0.0,0.0,547673.25,0.0,0.0,0.0,0.0,0.0,781681.9375,740144.125,0.0,0.0,411270.375,1009855.375,0.0,963520.8125,0.0,0.0,799912.3125,0.0,0.0,792878.125,749832.0,921823.1875,985620.75,885015.0,715635.6875,673296.125,722344.3125,575065.4375,746823.625,0.0 "910.54775 Da 788.95 s",13.15,909.54048,"6-[[(3S,6aR,6bS,8aR,14bS)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,13,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","C47H74O17",0.0,0.0,0.0,0.0,762401.3125,0.0,681539.75,749411.3125,0.0,1084435.625,661241.4375,922609.6875,1719898.125,706629.125,0.0,666533.625,980109.1875,694508.875,795947.75,922665.875,0.0,0.0,1093833.875,0.0,0.0,1242612.5,820905.5,0.0,574097.75,963309.0,665563.625,1818446.375,1687115.625,1163460.5,552924.125,757669.25 "504.33972 Da 789.26 s",13.15,503.33245,"Lignoceric acid","C24H48O2",832701.875,0.0,485502.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,818822.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,972914.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "875.56804 Da 790.65 s",13.18,874.56077,"PC 20:4/20:4","C48H80NO8P",0.0,929101.875,962877.4375,0.0,1083525.5,1183290.375,1201188.125,1415436.5,2221611.75,974068.5,1101930.25,947421.8125,1411085.625,1025905.1875,1117034.875,1068062.25,1527219.375,1255099.25,1166598.25,1231830.25,975094.375,1018132.8125,1345819.0,1524184.375,1341603.625,1383418.75,1004744.75,858224.75,1040361.6875,1425302.375,1046565.4375,1468601.75,1484587.0,1183350.0,1283789.5,913728.4375 "720.54183 Da 790.72 s",13.18,719.53456,"(2-{[3-hydroxy-2-tetradecanamidooctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium","C37H75N2O6P",1336908.875,2479758.75,1802289.375,1424507.125,2030221.0,2048438.25,2425555.5,2032899.75,1681077.125,2419356.0,1544182.0,1994487.875,2029008.75,2127035.0,1942813.25,2191651.0,2033766.125,2597022.5,2253159.0,2323388.5,2006491.125,1294512.125,2154211.25,1938413.875,1997323.0,2461620.75,2012877.375,2342033.5,1775642.75,2004736.625,1917365.75,1929405.625,2214830.0,1827885.0,1477616.25,1636606.875 "876.57109 Da 791.38 s",13.19,875.56381,"Ginsenoside F3","C41H70O13",0.0,1175387.5,632827.625,0.0,1207406.625,1127647.375,1486175.0,677347.6875,1244008.375,1523912.125,1525593.625,1020647.1875,1723074.375,1367661.625,1275533.125,1639579.25,869954.0,1482092.25,1633552.875,1506647.125,1231372.0,1439274.25,1828918.0,1480993.625,1308690.25,1944845.375,1271538.625,1147198.25,675899.4375,1744249.0,1122887.75,2044440.375,1841573.75,1512390.375,1450924.375,1059094.0 "789.55050 Da 791.84 s",13.20,788.54322,"PS 36:1","C42H80NO10P",0.0,0.0,460781.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,298030.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,716775.8125,171113.234375,0.0,0.0,0.0,0.0,0.0,252878.0625,550450.25 "724.50854 Da 792.01 s",13.20,723.50126,"Ethyldodecanoate","C14H28O2",1747319.75,3136906.0,1276884.375,1422270.25,3481473.25,4352078.5,7241537.5,3715544.5,4780601.0,6678541.0,2814929.25,3828417.25,1817501.75,5948348.0,2596731.75,4457771.5,4803583.5,4405952.0,5223447.5,5814622.0,2752380.0,1941825.0,6141742.0,3289917.5,3484408.25,2425288.0,0.0,1393214.5,1394794.875,1171311.0,1707544.125,1878027.25,1347764.375,1286134.625,798102.4375,1432410.0 "609.25383 Da 793.61 s",13.23,608.24655,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,1083938.875,1536820.25,1387323.625,1113851.375,1471101.375,1212833.125,1012008.0625,0.0,0.0,0.0,0.0,0.0,1165895.25,1096700.25,0.0,1382013.5,1417681.75,954877.5,1270245.25,0.0,0.0,0.0,0.0,0.0,0.0,1494497.125,1053985.875,1334890.125,1382185.75,894151.75 "774.52532 Da 794.04 s",13.23,773.51804,"Octylparaben","C15H22O3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,766933.5,0.0,0.0,0.0,665970.75,0.0,0.0,0.0,0.0,0.0,761588.4375,0.0,0.0,290836.5,0.0,0.0,0.0,0.0,0.0,727878.8125,0.0,587371.6875,0.0,0.0 "426.37042 Da 794.64 s",13.24,425.36315,"3-Nitrotyrosine","C9H10N2O5",0.0,450252.1875,907268.375,592999.1875,1097269.25,1090223.875,819414.4375,969883.9375,1175096.625,0.0,0.0,0.0,0.0,1188630.0,811590.0625,837770.5,0.0,972762.5625,1102389.25,0.0,0.0,900112.9375,0.0,0.0,0.0,609184.5,955391.625,760408.375,0.0,0.0,656357.875,0.0,0.0,0.0,0.0,0.0 "410.41182 Da 795.00 s",13.25,409.40455,"Squalene","C30H50",0.0,0.0,227205.390625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "901.58394 Da 795.01 s",13.25,900.57666,"Aleuretic Acid","C16H32O5",0.0,1317032.75,778556.9375,0.0,1540681.625,1380891.875,1347003.5,1979030.375,1575331.5,1214412.0,1492124.25,1119562.75,1340430.875,1094038.5,1453816.625,1592859.875,1573593.0,1898654.875,1737447.125,1272540.625,1336262.25,1317844.875,980206.125,1893107.0,1519524.5,1358841.25,1200960.75,992840.5,1493265.75,1716539.875,1284331.875,1354830.875,1847629.625,1193067.0,1391479.375,1459759.75 "885.49557 Da 795.23 s",13.25,884.48829,"Spirostane + 1O, -2H, O-Hex-dHex-dHex","C45H72O17",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1341910.25,0.0,0.0,0.0,872220.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1330244.5,0.0,0.0,0.0,0.0,0.0,1224586.625,0.0,0.0,0.0 "746.55745 Da 795.83 s",13.26,745.55018,"(2-{[2-[hexadec-9-enamido]-3-hydroxyoctadec-4-en-1-yl phosphono]oxy}ethyl)trimethylazanium","C39H77N2O6P",3772337.0,5669199.5,3534526.25,1645903.0,4494753.0,5195672.0,5946305.5,4774438.5,3895205.75,5021051.5,4574717.5,5036424.5,5755932.5,6229357.5,5165082.5,5922783.5,4958928.0,5915272.5,4629783.0,6025443.5,4552476.0,3275949.5,4633364.5,4201144.5,4413887.5,5894837.5,4528231.0,5373661.5,4537413.0,5106701.0,4273611.5,5442077.0,5360295.0,4582794.0,3650035.25,3611181.75 "538.33646 Da 796.49 s",13.27,537.32919,"Thiamine","C12H17N4OS",1735634.0,2179272.0,2638829.25,0.0,1595320.25,1122203.375,3120381.25,3039759.75,2970870.25,5654909.0,5382097.0,5526185.5,2859135.0,2437290.25,2151706.5,906679.4375,1024413.5,3221764.5,2825701.25,3356455.5,1353872.125,4441217.0,6543295.5,2753287.0,6741771.5,1101871.25,2149312.75,1526904.625,1977428.5,1027575.0625,1707707.875,6209564.5,2850117.0,2708547.25,4952096.5,3862642.25 "541.33697 Da 796.55 s",13.28,540.32969,"LPC 16:0","C24H50NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1053251.375,1113533.75,1239276.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,889202.8125,0.0,746357.9375,0.0,0.0,0.0,0.0,0.0,0.0,912020.625,0.0,0.0,0.0,0.0 "540.33609 Da 796.69 s",13.28,539.32881,"Thiamine","C12H17N4OS",0.0,1074336.75,1138473.0,0.0,0.0,0.0,1450941.25,770749.3125,1613104.125,1680589.5,1849985.625,1685949.625,1336094.5,1056924.375,1145707.375,0.0,0.0,1144951.875,1493396.25,1078799.25,0.0,1457334.75,3194882.5,1224632.25,3521811.25,0.0,1221708.75,0.0,1280307.5,0.0,0.0,1839702.75,1259970.5,990014.25,1282841.25,1393430.5 "969.51781 Da 800.68 s",13.34,968.51054,"Spirostane + 1O, -2H, O-Hex-dHex-dHex","C45H72O17",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,335631.84375,0.0,0.0,0.0,0.0,0.0,697976.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "912.56404 Da 801.08 s",13.35,911.55676,"PI 40:5","C49H85O13P",0.0,0.0,0.0,0.0,693397.125,0.0,962152.3125,1060201.375,0.0,657287.4375,1017317.875,0.0,2087849.0,897476.6875,899556.625,621745.1875,809065.625,0.0,0.0,858230.3125,737707.5625,0.0,616045.1875,458189.90625,0.0,1651471.0,1324832.625,995276.625,1387505.875,1538248.125,1132757.25,1946860.625,2176899.75,907334.5625,1807395.625,1339668.375 "926.51389 Da 801.12 s",13.35,925.50661,"PI 36:4","C45H79O13P",916853.375,1324836.875,1512784.75,940561.0,1596912.25,1577499.625,1745135.625,1474622.0,1857871.5,1571870.875,1695888.5,1946099.875,1777210.0,1604690.5,1184976.75,1894681.0,1402557.625,1984195.25,2016091.75,1572288.375,1819803.0,1422060.375,1806552.25,1826192.25,2190436.25,1262021.875,963146.5625,1185731.5,990746.3125,1479309.75,1728019.5,1125689.125,1194025.375,1377189.375,1101242.625,1668012.625 "994.50113 Da 801.41 s",13.36,993.49385,"PI 36:4","C45H79O13P",593266.8125,1119898.0,728761.875,810778.75,826644.3125,668965.125,726801.3125,765601.8125,707105.3125,1402241.875,1134211.875,1018071.125,0.0,702060.4375,1226754.375,703526.25,1054480.125,868761.625,919582.625,659118.625,928627.3125,1090528.125,678947.8125,655216.375,966390.8125,991198.1875,0.0,970230.6875,836148.8125,974538.8125,1186528.5,804058.1875,0.0,784505.375,802399.125,743246.8125 "953.53217 Da 801.62 s",13.36,952.52489,"(3?,5?,9?,14?,25S)-Spirostan-3-yl 6-deoxy-?-L-mannopyranosyl-(1->4)-[?-D-glucopyranosyl-(1->2)]-?-D-glucopyranoside","C45H74O17",1252082.0,2858899.25,2139414.5,1149668.0,2954937.75,2874440.0,3410628.5,3099447.25,2447769.25,2603485.0,1580869.75,3111835.0,1207746.625,2802389.0,3155058.0,2801281.25,2679183.25,2418779.0,2624899.0,3108286.0,2867630.75,2627809.0,2653791.5,3250148.0,2886187.75,3124265.75,2226403.0,2252381.75,2210799.0,3294068.0,1259814.875,2763023.25,3113467.0,1006464.375,2630274.0,2413834.75 "954.53617 Da 802.89 s",13.38,953.52889,"(3?,5?,9?,14?,25S)-Spirostan-3-yl 6-deoxy-?-L-mannopyranosyl-(1->4)-[?-D-glucopyranosyl-(1->2)]-?-D-glucopyranoside","C45H74O17",0.0,1057139.125,541896.3125,0.0,1118073.75,839791.875,698327.875,1211831.5,809872.875,912258.4375,937693.125,1178059.5,860376.9375,867441.5625,987712.9375,1012976.875,795555.4375,838997.375,1114898.25,1045223.0625,868899.6875,998922.25,1199972.5,1210895.25,896219.4375,999307.8125,865047.5625,778465.375,865833.3125,863596.1875,925896.3125,932224.1875,1100129.5,996728.1875,585553.6875,958319.5625 "809.51533 Da 803.32 s",13.39,808.50805,"PC(18:0/12-HEPE)","C46H82NO9P",1094225.375,995482.6875,690715.3125,0.0,1152296.625,1460168.75,1947553.5,796887.875,705855.125,950160.625,1067157.875,2156731.0,3386180.25,2644458.0,1322835.375,2012602.25,1341116.0,2493617.5,2094770.625,1581176.5,1401989.5,1321934.5,1949255.875,1275595.25,2368124.25,2622443.0,1696498.25,3517134.75,2803382.75,1807246.125,1858299.0,2469055.25,2147100.25,2117957.0,1860702.875,1861509.125 "876.49963 Da 803.44 s",13.39,875.49236,"NCGC00385705-01_C43H68O14_(3beta,5xi,9xi,16beta,18xi,21beta,22alpha)-28-Acetoxy-16,22,23-trihydroxy-21-[(2-methylbutanoyl)oxy]olean-12-en-3-yl beta-D-glucopyranosiduronic acid","C43H68O14",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,660052.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,893024.5,664929.3125,0.0,0.0,553939.0,0.0,809182.625,0.0,475281.40625 "1088.50252 Da 803.70 s",13.39,1087.49524,"Spirostane + 1O, -2H, O-Hex-dHex-dHex","C45H72O17",696581.9375,1035152.0625,751909.1875,805351.4375,781407.25,633844.125,570463.5,736806.875,753708.0625,0.0,886023.0,928047.3125,0.0,433059.5625,462043.03125,686339.8125,0.0,483111.0,796328.25,752080.5,0.0,774173.0625,0.0,871107.9375,732068.8125,508942.46875,694510.25,884500.75,606235.8125,1090390.875,726407.875,0.0,0.0,0.0,503639.0,903910.5 "326.31782 Da 804.67 s",13.41,325.31054,"Heneicosanoic acid","C21H42O2",136216.359375,593817.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "834.52585 Da 805.83 s",13.43,833.51857,"PI 34:2","C43H79O13P",1712032.625,3326998.25,1902173.125,1044639.5625,2808117.5,2533717.75,3976059.5,2909720.5,2364443.5,3016961.5,2723125.5,3702597.75,8661008.0,4411739.0,3698142.5,3198209.75,2586217.75,2922235.5,3026807.5,3695282.25,3053684.0,2662250.25,3154088.0,3313743.75,3104000.25,4990533.0,6625567.0,5756886.0,7504044.5,4035733.25,2641827.25,7689931.0,8541419.0,5629200.0,5191921.5,4247390.5 "852.57071 Da 805.89 s",13.43,851.56344,"PE(18:1e/7-HDoHE)","C45H78NO8P",1703106.0,7487269.5,3653329.0,3041074.75,1569221.25,1387575.5,1.4205508E7,1.1675332E7,1.1532241E7,1.0936702E7,1.0360419E7,1200536.875,5949278.0,7122687.0,6399631.0,1.2257595E7,1.4671775E7,1.1155756E7,1.1641862E7,1737936.625,7377774.5,1442532.125,1.0156589E7,1553796.875,1372275.75,7248049.5,3885925.25,2584673.5,4424001.0,1542248.875,5103583.0,7188757.0,3438637.75,6094323.0,4027127.75,3910064.0 "970.50177 Da 806.89 s",13.45,969.49450,"PI 34:2","C43H79O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1035588.1875,642215.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,709686.875,855570.25,769477.125,903143.875,572664.75,301306.65625,664548.9375,586798.125,339498.78125,0.0,653815.25 "961.52750 Da 810.35 s",13.51,960.52022,"3-hydroxy-6-[(9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl)oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid","C47H74O16",0.0,894172.0,950613.1875,949210.75,1034794.125,806947.25,809779.625,982901.3125,962092.25,673179.375,1162613.25,721740.875,0.0,790627.5,0.0,1124153.875,818015.125,923098.5625,846180.1875,1145980.0,608355.75,556688.8125,736678.0,949342.6875,750955.875,995530.5,0.0,0.0,0.0,951046.1875,1067442.0,917081.5625,0.0,1008336.6875,0.0,1068567.75 "813.53075 Da 811.32 s",13.52,812.52348,"PC 40:9","C48H78NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,774654.75,304752.34375,0.0,0.0,513792.5625,0.0,0.0,0.0,0.0,0.0,637474.0,0.0,0.0,827415.125,0.0,0.0,872390.9375,0.0,0.0,560567.125,0.0,675684.3125,0.0,0.0 "937.52950 Da 813.55 s",13.56,936.52223,"Furostane base -1H2O -2H + 1O, O-Hex, O-Pen-dHex","C44H70O17",0.0,822823.9375,670159.75,301436.3125,998326.0,918113.625,902019.0,974887.75,833671.875,905665.6875,910868.1875,908046.1875,1106671.25,1096194.125,1054682.125,661318.625,880342.25,937225.625,915605.0625,1125797.0,979210.5,939172.8125,954745.4375,896257.25,905377.125,814954.875,999161.75,854183.4375,917371.1875,857831.6875,924110.625,579139.5625,727716.125,906178.0625,967941.0625,868613.375 "862.55063 Da 813.60 s",13.56,861.54335,"PI 36:2","C45H83O13P",400386.09375,1466566.0,883689.1875,0.0,1678271.5,1334534.125,1900738.75,841569.0,1430393.375,984249.875,2049998.5,2040430.0,2942239.75,1407987.25,1407097.5,1457368.125,1678193.625,1282798.25,1509989.375,798697.875,1637500.0,1497869.75,964981.8125,1792969.375,1837635.875,2303557.5,2006446.0,1861960.0,2017116.375,2269200.0,1332744.375,2989670.0,3429062.5,2453565.5,2310388.25,2183744.75 "312.30338 Da 816.94 s",13.62,311.29610,"Eicosanoic acid","C20H40O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,422485.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "738.52396 Da 817.19 s",13.62,737.51669,"Ethyldodecanoate","C14H28O2",712120.8125,1402380.625,1030136.9375,0.0,1399574.5,1010075.375,2616631.5,1869200.375,1952642.25,2122056.5,1380146.0,1014937.875,0.0,2357220.25,1366684.75,1841634.0,1844620.125,1948918.625,2160618.75,2536131.5,1499681.875,929040.625,1819091.0,1518665.125,1022379.0,1097522.25,0.0,0.0,0.0,0.0,770325.875,0.0,0.0,892420.0625,0.0,0.0 "953.24326 Da 817.34 s",13.62,952.23599,"Spirostane + 1O, -2H, O-Hex-dHex-dHex","C45H72O17",2116129.75,770914.5,1273028.0,0.0,1443275.625,984943.0,1009492.0,1150859.125,1465195.75,1156915.25,1254511.875,653201.1875,926506.9375,1276632.75,761157.3125,721136.25,867267.875,1041277.375,1265158.125,1589871.875,738892.75,1351180.5,1235089.25,720761.0625,788674.625,881935.5625,859688.375,1013492.4375,1045102.8125,1131437.875,1089326.5,887613.0625,865434.5625,890851.0625,827956.75,1092608.75 "955.24033 Da 817.57 s",13.63,954.23305,"4-Pyridoxic acid","C8H9NO4",1175763.125,840783.5625,674250.4375,0.0,0.0,957329.6875,851789.1875,901861.25,778151.0,705946.5,876477.875,0.0,0.0,849260.0,822909.875,736872.0625,1025334.75,650410.5,774135.0625,636779.3125,729952.6875,0.0,0.0,640419.4375,0.0,731359.8125,937051.25,498500.125,0.0,0.0,0.0,933181.4375,0.0,0.0,742891.4375,650663.5625 "737.52073 Da 817.79 s",13.63,736.51345,"Ethyldodecanoate","C14H28O2",858834.375,1311458.25,1266420.625,1460377.5,1461665.25,1972546.125,2390805.5,1326822.5,1916191.0,2099135.0,1649054.875,1840366.875,1133600.5,2309680.0,1210409.25,1956626.375,1402185.125,1835055.875,2199577.75,1924768.125,1541329.125,1188001.375,1869529.875,1619996.75,1409465.5,1215160.375,0.0,850403.875,706099.6875,871394.4375,1135429.625,1022375.25,906772.0,1151737.875,961599.25,1417707.75 "735.56099 Da 818.30 s",13.64,734.55371,"Sphingomyelin d18:0-C20:0","C43H89N2O6P",647518.9375,1029497.0625,949742.8125,0.0,933537.375,1103562.25,1223590.625,1132539.375,590619.0,904006.875,986522.125,1000653.75,1117201.75,1106511.375,970710.4375,954129.875,717317.25,1249591.25,1085563.75,974780.125,573837.5,0.0,527510.375,811187.6875,0.0,924125.0625,1080476.125,1188794.5,1226106.375,874040.3125,966476.6875,0.0,1239848.25,1292402.625,927312.125,604281.8125 "850.62848 Da 819.14 s",13.65,849.62121,"PC(16:1e/17-HDoHE)","C46H80NO8P",1156616.25,1121975.5,1367274.625,0.0,0.0,0.0,973508.5625,0.0,754827.5625,833185.125,1221525.0,737408.4375,583333.4375,1137661.375,997664.4375,0.0,0.0,1337883.125,0.0,0.0,0.0,1054771.0,1161568.875,0.0,853314.9375,0.0,1106866.75,1389781.125,909284.1875,0.0,0.0,1108428.625,0.0,797265.8125,797880.0,1180941.75 "899.49943 Da 820.91 s",13.68,898.49215,"PE(16:1e/7-HDoHE)","C43H74NO8P",0.0,746633.6875,0.0,0.0,670577.375,753990.9375,445212.4375,692858.5,603411.25,940402.0625,0.0,724505.875,520305.46875,468205.9375,622691.1875,751001.75,541251.375,733605.75,374936.40625,759073.75,0.0,458587.28125,682615.3125,650975.0625,0.0,393279.28125,0.0,0.0,556603.0,399391.53125,0.0,729627.4375,448095.96875,593623.625,0.0,545787.5625 "709.52585 Da 822.21 s",13.70,708.51857,"PC O-28:0","C36H74NO7P",1024408.8125,1078246.25,1117514.75,0.0,1282166.75,1595224.625,1361744.0,1289285.75,833520.9375,1411637.25,1293810.875,912429.0,1164869.625,1363675.125,1418958.625,1457667.25,1296715.5,1095813.25,1074905.0,1036991.875,1524324.625,1373017.25,1824204.625,1048349.875,927251.3125,1512476.0,973295.625,1230564.75,674082.875,1237394.125,1019764.125,811825.75,938078.875,1239897.75,1185953.25,923099.5625 "940.53137 Da 823.90 s",13.73,939.52410,"PI(16:1/18-HETE)","C45H77O14P",0.0,0.0,0.0,0.0,562721.125,654199.75,0.0,0.0,0.0,0.0,0.0,703356.8125,0.0,0.0,668620.0625,0.0,0.0,758433.75,835009.0,0.0,429950.5,0.0,0.0,0.0,742561.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "688.31895 Da 824.53 s",13.74,687.31167,"Candesartan","C24H20N6O3",0.0,1447625.25,2399286.0,0.0,0.0,2304101.5,0.0,1078085.75,1441973.25,1210543.625,1185393.0,1696526.625,0.0,0.0,1293529.0,2530653.75,0.0,2042325.125,1979279.5,0.0,0.0,1148105.75,0.0,1457612.625,939197.5625,2884472.75,1972157.25,0.0,0.0,2464768.5,0.0,1221427.625,1519091.625,1353881.375,0.0,1759325.625 "907.55667 Da 825.19 s",13.75,906.54940,"[2.3-dihydroxypropoxy][3-(hexadecanoyloxy)-2-[octadec-9-enoyloxy]propoxy]phosphinic acid","C40H77O10P",0.0,0.0,0.0,0.0,608321.875,533584.25,841653.3125,646736.9375,967944.25,1060000.625,869663.4375,647585.1875,530868.3125,0.0,0.0,582396.125,761364.5,348628.9375,870725.625,892493.75,574613.4375,540860.8125,989880.3125,722274.5625,1083623.75,436532.4375,0.0,0.0,0.0,523760.75,502804.6875,472487.125,469729.6875,719147.5625,0.0,309783.0625 "735.54102 Da 825.79 s",13.76,734.53374,"Sphingomyelin d18:0-C20:0","C43H89N2O6P",0.0,561922.0625,641486.625,0.0,1467525.75,579133.0625,1401775.0,1247647.0,846674.0,661460.8125,1164451.0,1029249.9375,818153.875,1538073.125,1216731.5,1413297.125,1280686.0,645111.1875,1019786.0625,580286.625,632022.6875,701283.375,1299153.0,925268.375,931978.6875,1016725.4375,1461209.75,1049884.0,603293.75,724476.875,611258.25,1489119.5,675496.25,1167161.375,1265775.0,1218764.625 "981.52666 Da 826.94 s",13.78,980.51939,"Folic acid","C19H19N7O6",0.0,0.0,0.0,0.0,0.0,0.0,0.0,286526.15625,455092.21875,0.0,0.0,364777.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,456334.5,0.0,0.0,0.0,0.0,596215.0,0.0,0.0,0.0,0.0,0.0,0.0,487026.46875,0.0,0.0,0.0,0.0 "888.53380 Da 831.29 s",13.85,887.52653,"PI 38:3","C47H85O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,594758.0625,0.0,433292.21875,422250.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,463046.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28690 Da 831.76 s",13.86,309.27962,"Eicosenoic acid","C20H38O2",0.0,600201.6875,381502.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "817.57163 Da 832.83 s",13.88,816.56436,"PS 38:1","C44H84NO10P",0.0,711877.5,0.0,0.0,807402.375,727514.75,1063810.75,1009529.5,694978.5,553612.875,957408.1875,737146.625,963096.3125,742590.9375,441402.28125,781262.75,996441.3125,688101.1875,805290.1875,914616.25,406829.21875,755893.5625,980517.125,719426.75,770504.375,788489.1875,0.0,0.0,0.0,779832.875,0.0,763569.8125,766818.125,735174.25,626621.5,0.0 "701.49919 Da 834.95 s",13.92,700.49191,"Palmitoleic acid","C16H30O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,641720.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,879183.375,0.0,916392.1875,0.0,0.0,617029.625,944075.3125,0.0,0.0,0.0 "859.52851 Da 835.57 s",13.93,858.52123,"PI 36:4","C45H79O13P",0.0,0.0,0.0,0.0,0.0,505373.40625,0.0,0.0,0.0,0.0,544057.4375,336377.5,0.0,0.0,0.0,0.0,0.0,649416.125,604341.8125,0.0,450384.65625,0.0,620765.0,457183.65625,409743.40625,602515.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,477101.53125,0.0,0.0 "394.38086 Da 835.84 s",13.93,393.37358,"Hederagenin","C30H48O4",1704129.375,1394301.0,2155764.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1510956.125,1384707.625,0.0,0.0,1284897.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,680729.75,985833.0,1108886.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "925.50705 Da 836.24 s",13.94,924.49977,"PG 40:6","C46H79O10P",0.0,1210228.375,822537.5,0.0,1085654.25,987970.5,649109.5,724082.5,916734.1875,978673.125,918975.6875,696923.5,855924.625,865541.25,743623.75,0.0,857621.0625,874682.5625,958417.125,1144962.5,1009166.75,911852.1875,762635.9375,986356.3125,748875.375,650616.1875,913758.9375,850378.625,981715.75,901678.0625,729345.4375,1032009.0625,913211.5,917488.4375,859163.75,882319.0625 "947.58609 Da 838.00 s",13.97,946.57882,"SM d33:1","C38H77N2O6P",962855.875,1432907.375,761875.0,978421.1875,0.0,0.0,1766658.625,1762474.875,1170984.0,1473860.375,1388469.375,0.0,1703496.0,1503499.875,0.0,0.0,1545088.0,1234477.0,1122944.25,997232.625,985655.4375,1791533.5,1642300.125,1153670.5,1206078.5,2202329.75,1736017.125,1937158.5,1707947.625,1915465.5,1913656.125,1845699.875,2100228.25,1725673.875,1922041.875,796071.125 "833.54781 Da 839.59 s",13.99,832.54054,"PS 40:6","C46H78NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,654000.375,1424895.375,0.0,1186644.625,1125195.625,1221217.875,0.0,0.0,0.0,1041895.8125,0.0,1154059.0,1491750.875,0.0,0.0,846089.75,549129.0625,552084.75,0.0,0.0,0.0,0.0,0.0,0.0,970606.875,1101573.75,855514.75,0.0,0.0 "751.53635 Da 841.37 s",14.02,750.52907,"PC 14:0_16:0","C38H76NO8P",8849032.0,1.5877849E7,9326782.0,9758512.0,1.4906607E7,1.5842304E7,2.6353734E7,1.8109786E7,1.659096E7,2.1620278E7,1.3996476E7,1.6265479E7,1.2677557E7,2.533943E7,1.4538892E7,1.8494546E7,1.4136379E7,1.6932528E7,2.086524E7,2.573654E7,1.5877513E7,1.1231114E7,2.0470954E7,1.5158995E7,1.2440741E7,1.6050899E7,7507277.5,8369477.5,1.0413634E7,1.0617885E7,8817263.0,1.1400618E7,1.1152306E7,1.128063E7,7469903.5,8701961.0 "856.59277 Da 841.88 s",14.03,855.58550,"SM d42:3","C47H91N2O6P",1061254.125,2307982.75,1624954.875,852671.0625,3077475.0,2340733.0,2813402.5,1937940.625,2745542.5,2465719.0,3257437.25,2385950.0,3026894.0,2596815.75,2551197.75,1832270.125,3107890.0,2928272.5,2220564.5,2498666.25,2817628.0,2046791.125,2332036.25,1426050.625,1686564.5,3157054.75,2310682.5,2017446.75,2389176.0,2717029.75,1160640.5,3217566.0,2550597.5,2555998.0,1434705.125,1641379.125 "913.52848 Da 842.88 s",14.05,912.52120,"PC 42:10","C50H80NO8P",1721620.5,860335.5625,700338.6875,1739705.75,0.0,0.0,0.0,0.0,0.0,639850.0625,0.0,0.0,0.0,0.0,365064.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1054876.875,1336781.375,1276142.0,0.0,1024324.5625,0.0,0.0,0.0,0.0,1502873.75 "777.55206 Da 844.63 s",14.08,776.54478,"PC 16:0_16:1","C40H78NO8P",2.4635032E7,5.2539648E7,3.0676974E7,1.671819E7,4.9459396E7,5.4529172E7,7.6971008E7,5.9736432E7,4.9994652E7,6.7180888E7,4.7658392E7,5.1098188E7,8.0983376E7,7.2955616E7,5.2055992E7,5.942774E7,5.3788152E7,5.7918784E7,5.9310328E7,6.8947824E7,4.449358E7,3.75573E7,6.1427328E7,4.9673496E7,4.616082E7,6.870492E7,5.3074984E7,4.927416E7,6.5688988E7,4.6322832E7,4.4708044E7,8.204944E7,6.5151804E7,6.210726E7,4.0658548E7,4.2518176E7 "408.39648 Da 845.82 s",14.10,407.38921,"(1R,3aS,5aR,5bR,11aR,13aR)-7-hydroxy-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid","C30H46O4",2516617.5,1579511.5,1819820.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,928254.4375,1430456.75,0.0,0.0,2899613.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2077118.25,1132510.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "397.39956 Da 848.24 s",14.14,396.39229,"Hexacosanoic acid","C26H52O2",0.0,0.0,541448.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,723283.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "689.49977 Da 855.15 s",14.25,688.49249,"PE 16:0_16:1","C37H72NO8P",1531228.125,2483105.5,1774721.75,1322245.25,3587474.0,2781262.75,3003785.75,2130548.0,3151213.75,3401707.0,2742908.75,2789930.25,3170581.5,3883514.75,2635777.5,1367720.5,2458388.75,4002881.0,4630060.5,3578842.25,3576905.75,3160325.5,3093401.5,2986967.75,2393630.0,3011957.75,3000394.0,2717799.0,3200768.0,3614019.0,2636095.5,2807719.0,2814325.5,1979385.125,2199080.0,1860535.625 "883.49378 Da 856.03 s",14.27,882.48650,"Clarithromycin","C38H69NO13",1130538.375,1322879.625,0.0,951233.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1010621.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "783.50283 Da 856.11 s",14.27,782.49555,"Vaccenic acid","C18H34O2",627585.75,1188397.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1699207.375,1413014.375,1021082.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1107177.125,1193644.25,1245183.75,804104.0625,0.0,0.0,1516950.625,1185159.0,1400518.875,1371502.875,1030666.4375 "750.53124 Da 856.17 s",14.27,749.52397,"Prednisone","C21H26O5",892920.0625,1378039.875,1352665.75,0.0,2611783.25,1958263.0,2476662.75,1856980.25,1626345.25,2128364.5,1194689.875,1704364.125,1448559.625,2109533.0,2037915.25,2244523.0,1782730.375,2045820.375,2420480.0,2438772.25,2187525.25,2009402.875,1921617.25,2173093.75,0.0,1719647.75,1194353.125,1109319.25,1173347.25,869607.4375,1214255.0,1843125.375,1263614.25,1700172.125,1273480.0,630322.6875 "745.56917 Da 856.35 s",14.27,744.56189,"HexCer 34:1;O2","C40H77NO8",0.0,0.0,0.0,1620426.5,0.0,0.0,1754134.375,2927367.5,0.0,0.0,0.0,0.0,2130002.25,0.0,1454075.75,0.0,0.0,0.0,2473946.0,2042446.125,2318167.0,0.0,0.0,2081900.5,0.0,0.0,1159680.625,0.0,1009472.5625,0.0,0.0,0.0,2043998.875,0.0,0.0,0.0 "884.81891 Da 857.75 s",14.30,883.81163,"Squalene","C30H50",1295568.875,0.0,1175115.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1865307.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "522.41973 Da 858.06 s",14.30,521.41245,"Ginsenoside Rg2","C42H72O13",2384318.0,1932944.125,3035505.75,0.0,3532889.75,2869846.25,2448754.25,2763976.5,3034642.0,2365107.5,2883169.25,3694580.75,3903397.5,1645107.75,1946486.875,2834644.5,1998017.5,2282608.75,3556744.25,3063981.5,2828302.75,3617743.5,2078346.0,2670340.5,3865198.25,2533282.25,1997224.75,2754593.5,1378158.625,3500069.25,2334273.25,2957948.75,3081950.75,3023398.0,3878319.0,1793538.5 "598.48081 Da 858.51 s",14.31,597.47353,"methyl palmitoleate","C17H32O2",0.0,578539.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "784.50562 Da 859.12 s",14.32,783.49835,"Elaidic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1114958.375,0.0,637463.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "742.53424 Da 861.18 s",14.35,741.52697,"Phosphatidylglyceride 18:1-18:2","C42H77O10P",1216533.625,4500196.5,1730203.0,976434.75,4034450.5,3338471.5,4905617.5,3111362.0,1325615.625,4002760.0,3141493.0,3840108.75,9593095.0,5217969.5,4131152.5,3825770.0,2773885.75,4321978.5,3799876.25,4716157.5,4645885.0,3106679.5,3197975.25,2800809.75,2297931.75,6756467.0,6980394.0,4909891.0,7100732.5,5910202.0,4165500.0,7638947.5,7765952.0,6737291.0,4947176.5,4424149.0 "886.57049 Da 863.49 s",14.39,885.56322,"PI 38:3","C47H85O13P",0.0,1692248.25,1010506.1875,1022679.4375,819003.5625,862174.375,0.0,1775652.875,0.0,1860639.25,0.0,0.0,0.0,0.0,0.0,1357922.375,1623250.625,1621803.75,624417.75,1913985.125,0.0,1387070.25,2217857.5,734728.9375,2373663.5,1902276.875,1785354.25,1066274.75,1251236.875,0.0,1749921.5,2120475.25,0.0,0.0,1508000.5,0.0 "927.54236 Da 864.17 s",14.40,926.53509,"Nigericin","C40H68O11",903497.8125,856608.6875,892895.8125,737990.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,972446.625,613282.3125,1215254.5,0.0,1173189.125,0.0,859639.125,0.0,1180842.125,1036563.9375 "820.58979 Da 865.10 s",14.42,819.58251,"[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl] (4aS,6aS,6bR,10S,12aR)-10-[5-[3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","C63H102O29",0.0,1172137.25,620791.75,0.0,0.0,854750.4375,1488074.75,915972.625,1125853.75,908954.9375,1554423.125,1199508.625,2013123.75,966617.0625,1399344.875,1260428.125,391156.4375,992955.625,1361926.25,1490319.875,1150912.625,1047380.0,1204620.5,1372966.875,1215188.375,1891847.125,1149763.375,1156081.625,1373159.25,1321668.5,451076.125,1639494.875,1400005.625,1626761.75,345571.1875,1028087.1875 "697.30606 Da 865.92 s",14.43,696.29878,"Thiopental","C11H18N2O2S",0.0,0.0,0.0,0.0,0.0,0.0,2141993.0,1995245.875,1570406.125,1458343.625,1839058.125,1424483.375,2110410.0,0.0,0.0,0.0,0.0,0.0,1882790.75,1562321.0,0.0,0.0,0.0,1837676.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1668982.0,1179995.0,1238854.625,1264260.5,1746777.25 "791.55249 Da 866.80 s",14.45,790.54521,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,364647.09375,0.0,0.0,0.0,0.0,901590.9375,1160922.625,1474003.25,1481275.125,733528.0,0.0,0.0,0.0,1290540.375,960678.9375,0.0,1503950.625,1506068.875,1021491.5625,696661.4375,1357698.625,1059769.5,0.0,1461653.125,0.0,0.0,0.0,0.0,0.0,0.0,1412576.125,0.0,989971.875,440127.46875 "737.55677 Da 868.31 s",14.47,736.54950,"PC O-30:0","C38H78NO7P",1897419.5,3291142.75,1831451.625,1656709.875,2677295.5,3404631.25,3268399.0,3578293.5,2159879.75,3217600.0,2839787.0,3216186.5,1902262.0,4881599.0,4175527.5,3390274.0,2101809.25,2946169.25,2764191.75,3637387.25,3434271.0,2682681.25,2947178.25,2974147.25,2804890.5,2836430.5,2072588.5,1844206.5,2141130.0,2167811.75,2159080.5,2347996.0,1742493.0,1951448.0,2079329.0,2040684.0 "370.30702 Da 869.33 s",14.49,369.29975,"1,11-Undecanedicarboxylic acid","C13H24O4",315777.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "844.60217 Da 870.27 s",14.50,843.59490,"SM d41:2","C46H91N2O6P",723070.6875,1437073.25,823025.75,0.0,1499725.375,1491276.5,2480696.0,1732625.125,1352921.25,1039648.25,1600229.375,1196584.625,633455.75,1739124.75,1310809.75,1660051.625,1503736.0,1677357.75,1005261.0625,2028617.25,1329391.75,1296899.25,1680554.25,1299586.375,1419627.125,1976828.375,1125445.75,1215084.25,1335158.75,1357776.5,1287646.25,1646985.875,1867694.625,1577148.75,1277573.5,1253820.5 "886.51543 Da 870.94 s",14.52,885.50816,"PI 38:3","C47H85O13P",0.0,0.0,809223.9375,721229.6875,0.0,0.0,0.0,0.0,588109.25,0.0,0.0,0.0,0.0,0.0,528789.9375,0.0,0.0,0.0,0.0,0.0,0.0,421060.28125,0.0,637704.75,0.0,0.0,0.0,0.0,584390.125,0.0,782303.9375,0.0,0.0,0.0,662506.375,643877.6875 "752.54769 Da 871.68 s",14.53,751.54042,"Tetrahydrocortisone","C21H32O5",0.0,1912829.375,910790.8125,542018.75,2025472.5,1770538.125,950770.0,1450000.75,1515607.25,1495972.75,1714000.375,1176105.125,1694997.0,1949507.25,1734035.375,2009308.125,1241436.375,1904382.875,2384599.0,1805562.25,1883246.125,1726322.5,1086312.625,1510917.25,1403731.625,1915619.25,1202377.75,1075255.375,1340961.25,1624312.0,1346365.625,1424258.5,1320435.0,1329335.0,1375554.0,1125018.875 "843.59886 Da 871.79 s",14.53,842.59159,"PC(16:0/14,15-EET)","C44H80NO9P",1170465.625,1494244.25,0.0,966276.3125,2823161.25,2853528.0,2168704.5,1642248.5,2323258.75,1807999.25,2847549.5,2630557.5,3258163.25,3311388.75,2792124.5,3023766.25,1406148.5,2629241.25,3135738.25,2006914.125,2427150.25,2321586.0,2945704.25,2479060.0,2153294.75,2878813.5,2142571.5,2086766.125,2156925.5,2506467.75,2121367.25,1558354.0,1724023.375,3067715.25,1138951.875,2172504.5 "426.37000 Da 871.89 s",14.53,425.36272,"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,10R,11R,12aR)-1,10,11-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","C36H58O10",196345.890625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "1102.27948 Da 871.98 s",14.53,1101.27220,"Gibberellic acid","C19H22O6",1683168.75,1508163.0,718146.3125,0.0,0.0,1456871.625,0.0,0.0,1117602.5,0.0,0.0,0.0,827496.75,0.0,840455.125,0.0,742002.0,0.0,712980.375,0.0,1064980.25,0.0,0.0,0.0,0.0,0.0,928017.625,1150828.25,0.0,0.0,734985.1875,0.0,915580.0625,0.0,879043.4375,1104720.375 "885.51065 Da 872.11 s",14.54,884.50337,"PI(17:0/18-HEPE)","C46H79O14P",1065305.625,957041.1875,628300.8125,1073215.375,1311166.75,1199704.625,966278.25,964652.4375,1163068.25,811317.5,896239.6875,1239207.25,1006949.6875,0.0,985105.0625,1351478.0,626063.0,1106883.875,841332.25,1166673.125,1339355.875,1188628.5,985260.1875,1019201.125,906653.75,916140.0,1119772.25,831272.1875,1383834.0,608269.0625,1139530.375,575157.4375,996526.125,1118855.375,666937.375,994082.4375 "765.57964 Da 872.18 s",14.54,764.57236,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1665720.125,3847053.25,2768867.5,633979.9375,3864618.0,4095442.25,3715502.25,3469791.0,1155887.0,3661083.5,3482225.75,3457304.75,3188586.0,4569856.0,4119401.0,5055339.5,3150159.5,4197619.5,2851867.5,3191878.75,3454496.5,2958185.0,3077858.75,2702886.0,2997672.75,4370106.0,2992877.5,2761282.5,3088683.25,3654006.0,3278840.5,3493315.0,2483437.0,2370997.0,1278643.0,2392311.0 "1100.28139 Da 872.68 s",14.54,1099.27412,"(2S)-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","C21H22O8",1147886.625,1313168.25,728577.75,0.0,869277.75,810631.875,0.0,0.0,0.0,1128585.75,0.0,0.0,0.0,0.0,0.0,0.0,787918.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,802479.25,774399.8125,678521.75,863353.375,866968.125,0.0,993284.875,0.0,0.0,712786.125 "859.49617 Da 872.78 s",14.55,858.48889,"(7E,11E)-17-{[3,4-dihydroxy-5-(2-hydroxy-4-methoxy-6-methylbenzamido)-4,6-dimethyloxan-2-yl]oxy}-27-hydroxy-3,6,8,12,14,20,22-heptamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0?,?.0??,??.0??,??]heptacosa-4,7,11,14,24(27)-pentaene-4-carboxylic acid","C50H65NO13",645480.125,986289.75,606873.8125,978596.875,1180248.0,531916.5,915552.6875,879782.4375,1063058.875,723164.3125,803939.25,770734.5625,569303.4375,1053846.875,442607.78125,911349.125,1171775.25,614689.1875,611672.5,760780.375,946469.0625,564591.0625,795670.9375,962234.375,1169776.625,912345.875,954640.6875,810541.3125,1009595.3125,1003612.8125,502771.0625,782390.875,566293.375,1052234.625,571920.6875,1211271.375 "778.55585 Da 873.74 s",14.56,777.54857,"PC 32:1","C40H78NO8P",0.0,833791.6875,0.0,0.0,708243.8125,0.0,0.0,0.0,0.0,1546974.0,793685.125,857613.375,1476433.375,1160990.5,1372751.125,0.0,782881.6875,612866.625,0.0,0.0,894186.8125,598725.875,0.0,0.0,1066292.125,0.0,573625.3125,0.0,0.0,0.0,0.0,0.0,782382.8125,0.0,0.0,680840.0625 "703.51580 Da 874.36 s",14.57,702.50852,"Hexadecanedioic acid","C16H30O4",0.0,1416973.5,0.0,0.0,996627.875,841558.0625,1712341.25,1117606.25,982646.625,915292.75,866990.9375,1371505.75,1059557.25,1633916.125,1440393.375,1368746.5,0.0,1067477.25,1686363.25,1414837.75,1291097.625,1107046.625,971392.75,1125021.125,1047431.8125,1425479.75,1177894.125,1263921.375,1530477.0,1206958.625,651797.3125,948580.75,1322608.0,1254952.75,1192572.0,1423121.125 "762.53568 Da 874.61 s",14.58,761.52841,"Docosahexanoic acid","C22H32O2",0.0,1869896.0,0.0,0.0,2059233.375,839093.0,2090981.625,1877579.625,1764228.75,1578186.125,2101762.25,2012213.25,0.0,2014872.75,0.0,1903479.0,982092.6875,0.0,2329891.25,2146868.0,1749286.125,1647436.75,1410940.875,1435243.875,0.0,0.0,0.0,0.0,0.0,0.0,1055700.375,0.0,0.0,0.0,0.0,0.0 "729.53113 Da 875.09 s",14.58,728.52385,"Hexadecanedioic acid","C16H30O4",1041195.25,1615893.0,818115.875,968781.625,1369744.625,1392543.625,1820367.125,2181910.75,1301143.25,1444252.375,1372689.625,1619992.875,2376850.5,1997802.125,1690195.0,1519052.875,1667981.375,1757328.625,1494980.875,1922780.25,1629660.25,1438272.875,1325367.0,1408993.125,899086.1875,2062183.25,2894859.75,1695167.75,2033836.875,1479741.5,1302650.125,1981658.375,2340946.0,1943477.375,2051764.375,1498723.625 "673.50490 Da 875.31 s",14.59,672.49762,"PE O-32:2","C37H72NO7P",0.0,1369884.0,1147800.125,0.0,1438388.875,1514885.25,0.0,0.0,0.0,0.0,983816.375,1259856.25,1486289.375,1848269.125,1372941.125,1592128.0,0.0,1414909.75,1480875.125,0.0,1535678.375,0.0,0.0,0.0,0.0,1338455.5,2211732.25,1749437.875,1982226.125,1323713.75,888919.125,1386678.125,1590983.875,1337533.0,1201928.25,1798520.0 "860.53781 Da 876.90 s",14.62,859.53053,"(2-aminoethoxy)[2-[docosa-4.7.10.13.16.19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid","C45H78NO8P",883841.0625,1806812.25,1040724.625,0.0,1136501.875,1197237.5,1682248.625,1395077.375,1468007.5,1420579.875,1210975.75,1466133.0,1625020.375,1569481.5,1243674.25,1413333.625,638522.625,1356061.75,1812156.75,969217.75,1244130.875,1407783.625,1294988.375,1353025.125,979693.125,817871.8125,1429450.5,480318.40625,1328216.5,1383778.375,576759.3125,1485378.75,703994.0625,1836084.75,1210926.875,1397031.25 "308.27120 Da 877.66 s",14.63,307.26392,"(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","C23H40O5",605610.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "628.52726 Da 878.21 s",14.64,627.51998,"Estrone","C18H22O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,472357.21875,346183.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,380439.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "883.62063 Da 878.83 s",14.65,882.61335,"PC 40:4","C48H88NO8P",3998617.5,4120729.0,3323129.75,0.0,1733286.5,2693715.0,4170334.0,1905356.625,945843.25,2132060.0,2241889.25,3704012.75,3603278.0,3405143.0,3782786.75,3212337.75,1625470.625,3464801.0,2786198.75,3329604.5,3086969.75,1772752.125,1526319.625,2648826.25,2644676.0,3176947.0,3054290.0,3991913.5,3608312.5,4330558.0,3338970.75,3147929.25,3620242.25,3025253.75,2570385.5,2955940.25 "763.54567 Da 879.16 s",14.65,762.53840,"Tetrahydrocortisone","C21H32O5",0.0,1640476.25,0.0,0.0,1141135.75,1054462.5,712633.9375,1806061.0,780168.6875,0.0,858839.5625,989403.4375,0.0,0.0,1111499.25,1072676.375,391488.21875,0.0,1035990.75,820190.375,2034375.375,543107.4375,0.0,873671.25,674868.6875,0.0,0.0,0.0,0.0,831241.375,553174.8125,0.0,0.0,0.0,0.0,0.0 "967.00831 Da 879.59 s",14.66,966.00104,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",916101.5625,759102.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "781.57355 Da 882.97 s",14.72,780.56628,"PG 32:1","C38H73O10P",0.0,0.0,0.0,4707306.5,0.0,0.0,1933920.0,5357774.0,0.0,3833306.75,0.0,0.0,1881801.5,4698492.0,0.0,0.0,0.0,0.0,3811147.25,2956890.0,0.0,0.0,0.0,1566581.25,0.0,0.0,3304988.25,0.0,3742159.75,0.0,0.0,0.0,4990912.0,2606208.25,2634801.5,0.0 "834.60802 Da 883.39 s",14.72,833.60074,"SM d40:0","C45H93N2O6P",4333296.0,4574089.0,4614563.5,2336553.5,4447636.0,6866727.0,4835432.0,3983373.75,7215402.0,9238078.0,8984067.0,8001309.0,1.031068E7,1.0507396E7,8088278.5,3506106.0,3469816.25,7456583.0,8023043.5,4176037.75,8826773.0,2962130.25,7789045.0,7912817.5,6427856.5,3825923.0,9202608.0,6940622.0,3534080.5,8570075.0,8308009.0,9331123.0,1.1114642E7,8971150.0,7413093.0,5620872.0 "874.57445 Da 884.96 s",14.75,873.56717,"PG 44:8","C50H83O10P",8976235.0,3208562.75,9019341.0,6320927.0,3634487.25,8537350.0,9483283.0,3400336.25,9691823.0,3455525.75,4434036.0,8328930.0,3451027.75,3442334.0,8874457.0,8602382.0,8312403.5,9821529.0,1.0186758E7,3872249.0,3759407.0,8377600.0,7661892.5,8958728.0,9747443.0,4680286.5,8675589.0,8382919.0,3273995.25,4076423.5,3585745.75,8404176.0,6944039.0,3736334.0,3614777.0,8120228.0 "822.57365 Da 888.37 s",14.81,821.56637,"Sphingosine","C18H37NO2",822664.3125,0.0,2391536.0,1847341.375,0.0,0.0,0.0,1612381.125,1985659.25,0.0,0.0,0.0,0.0,0.0,2132215.5,0.0,828738.8125,0.0,0.0,0.0,0.0,2824702.25,1803325.25,1193830.125,1783079.875,0.0,1444476.875,2056805.125,2021425.375,0.0,933078.4375,1296619.875,0.0,0.0,0.0,0.0 "737.53609 Da 889.23 s",14.82,736.52881,"Aleuretic Acid","C16H32O5",0.0,1980637.25,1951557.5,0.0,2785527.75,1493109.75,1645114.5,1313121.25,2468527.75,1642669.625,1450775.125,3352833.75,1191202.75,1575085.5,1775116.5,3679198.25,993127.25,1559584.875,1687680.0,2071116.5,1345525.625,1991214.25,1331442.5,1470275.125,1957263.25,1304260.0,1770310.625,1361356.25,1007029.625,2785142.25,1623918.75,1302939.125,1662126.375,1710101.25,1629345.125,1830797.375 "583.51720 Da 889.86 s",14.83,582.50992,"Cer[NS] d34:1","C34H67NO3",0.0,0.0,0.0,2339673.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "1174.29808 Da 894.11 s",14.90,1173.29081,"7-Methylxanthine","C6H6N4O2",552069.0625,677077.5,735220.8125,0.0,0.0,0.0,623559.8125,677200.125,805769.6875,774585.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,627355.9375,794722.0,970362.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,811589.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "879.52171 Da 894.49 s",14.91,878.51443,"(2-{[3-(hexadecanoyloxy)-2-[octadeca-9.12-dienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium","C42H80NO8P",1315066.5,1300605.0,707590.25,1155461.875,916699.125,987733.0625,1145243.75,1058156.125,854990.6875,840572.3125,1195817.5,1043768.0625,885060.4375,1274308.875,800846.875,1377353.875,682365.3125,1253440.875,1234736.25,1206467.25,940961.5,1347666.375,707853.375,1212346.75,1206291.375,1075192.125,1224124.125,770601.625,1075106.875,1309440.375,1126293.125,1074920.375,1056962.75,1427817.0,958033.3125,948952.8125 "1175.29929 Da 895.31 s",14.92,1174.29201,"6-Methoxyflavonol","C16H12O4",1129737.0,608373.5,843002.125,0.0,747907.625,860792.875,792591.0,0.0,0.0,765683.75,0.0,0.0,0.0,0.0,0.0,669818.5625,780436.4375,0.0,871813.0,937712.875,0.0,0.0,0.0,0.0,0.0,0.0,798552.4375,574060.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,778528.1875 "1176.29766 Da 895.52 s",14.93,1175.29039,"7-Hydroxy-3(4-methoxyphenyl) coumarin","C16H12O4",1143389.375,907660.125,819847.8125,0.0,750190.0,763718.25,763937.4375,763022.75,927495.875,730932.1875,0.0,0.0,1040216.9375,1061279.0,675864.75,0.0,632780.375,682434.875,680730.5625,810022.0,0.0,0.0,0.0,0.0,0.0,975408.0625,0.0,765687.125,0.0,0.0,0.0,0.0,0.0,0.0,899247.5625,908826.875 "910.64810 Da 898.42 s",14.97,909.64082,"Oleic acid","C18H34O2",0.0,0.0,0.0,0.0,611220.125,0.0,0.0,671099.875,0.0,0.0,880779.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,770662.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,402818.21875,0.0,0.0,0.0 "885.57235 Da 899.98 s",15.00,884.56508,"PC 40:7","C48H82NO8P",0.0,0.0,0.0,0.0,700445.375,639759.75,765517.4375,327809.5625,567001.3125,952060.75,558536.4375,529763.75,421457.75,0.0,0.0,587086.0625,601408.25,0.0,972910.625,479655.9375,812524.4375,0.0,491390.375,749437.5625,436008.5,839661.8125,0.0,0.0,0.0,635688.0,669490.8125,840860.5625,603023.75,753588.9375,666818.875,541565.3125 "450.44353 Da 900.41 s",15.01,449.43626,"Sphingomyelin d18:1-C21:0","C44H89N2O6P",932813.75,1021151.375,1534107.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1842169.875,1641411.75,0.0,0.0,1295305.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1378782.5,1486508.75,956750.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "818.58728 Da 900.55 s",15.01,817.58000,"PC 40:7","C48H82NO8P",0.0,587685.6875,702022.0,0.0,2546379.75,1241252.25,3360563.75,2763185.0,2774898.25,2738607.75,3827840.5,4522825.0,3238820.0,820590.5,0.0,1908185.25,1593264.125,0.0,3381658.75,3082670.75,2518494.0,2142057.25,1998420.875,2695715.5,2685204.0,3466032.25,0.0,532107.5,0.0,2754367.0,1764774.875,2732970.25,1089655.125,1388029.5,2733059.75,3738362.75 "886.55663 Da 902.20 s",15.04,885.54936,"(3?,5?,9?,14?,25S)-Spirostan-3-yl 6-deoxy-?-L-mannopyranosyl-(1->4)-[?-D-glucopyranosyl-(1->2)]-?-D-glucopyranoside","C45H74O17",0.0,0.0,0.0,0.0,886957.0625,0.0,721538.4375,681504.5625,820531.625,710692.0,1116572.875,0.0,0.0,256231.984375,0.0,692162.4375,0.0,0.0,1011680.125,0.0,1031185.3125,709482.0625,528962.0625,787606.375,0.0,511902.25,0.0,306253.9375,0.0,457358.6875,470861.84375,0.0,0.0,355651.71875,361254.78125,699018.9375 "887.55958 Da 903.37 s",15.06,886.55230,"(3?,5?,9?,14?,25S)-Spirostan-3-yl 6-deoxy-?-L-mannopyranosyl-(1->4)-[?-D-glucopyranosyl-(1->2)]-?-D-glucopyranoside","C45H74O17",0.0,257012.46875,0.0,0.0,0.0,0.0,383448.21875,0.0,0.0,0.0,640605.9375,804583.625,0.0,0.0,298991.96875,0.0,0.0,0.0,0.0,319428.8125,345035.8125,453999.3125,0.0,0.0,471407.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "846.61906 Da 903.57 s",15.06,845.61178,"SM d41:1","C46H93N2O6P",2175689.25,1725022.75,2540627.25,1095311.125,4284217.0,3589999.0,5943926.5,4775317.5,3628346.0,4150351.25,4256135.5,3873516.25,5660803.5,4902734.5,4110638.5,3731030.25,2685662.25,4424158.5,4987137.0,5123557.5,4081092.0,3313366.5,3395337.75,4113644.5,2768063.75,5214599.5,4378154.0,3960237.0,3798966.25,4281844.5,3692115.0,4577008.5,730131.3125,5373976.5,3617308.75,4167265.25 "762.52431 Da 903.63 s",15.06,761.51703,"[1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]octadec-9-enoate","C37H71O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,494743.09375,358789.28125,530706.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,293086.375,632085.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,359232.125 "598.48111 Da 904.80 s",15.08,597.47383,"2-Phenylaminoadenosine","C16H18N6O4",0.0,0.0,369296.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "860.59505 Da 905.19 s",15.09,859.58778,"PC 38:2","C46H88NO8P",1981275.375,3239866.25,2323199.25,1369505.375,3041962.75,2720085.75,2303514.0,2601007.5,2083087.0,2256617.75,2818843.75,2593226.5,1848746.75,1167645.875,2727631.25,2803024.25,2072149.25,3064352.25,2194266.5,2809604.5,3060036.5,2399106.5,1990280.625,2808253.5,2172939.5,2787270.5,2369182.0,2597117.0,2405419.25,2750178.0,2373082.25,2281983.0,2306061.0,772358.9375,2189802.25,2476964.25 "861.59697 Da 905.60 s",15.09,860.58969,"PC 38:1","C46H90NO8P",856129.125,1016710.1875,826563.6875,0.0,894717.5,965590.6875,940923.3125,731357.5,0.0,840093.25,483332.75,692973.875,0.0,833466.6875,977135.4375,938936.3125,726184.0,1087162.375,789014.875,631896.625,949956.1875,825565.5,0.0,866133.625,731568.3125,1107605.5,821745.0,537747.625,664480.625,943715.6875,906917.5625,749258.6875,612132.9375,0.0,1031627.875,952462.125 "426.37035 Da 906.59 s",15.11,425.36308,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",206549.046875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "753.55855 Da 907.20 s",15.12,752.55127,"PC 35:4","C43H78NO8P",1035236.0625,1516241.0,2289724.25,0.0,2139401.75,2156870.0,1765852.125,1410169.625,2159192.5,697023.8125,1899641.375,3134441.0,2366247.75,2165982.75,787314.125,2548611.0,1159722.0,3176331.5,3845714.0,2753495.75,2641018.25,1501743.0,1234622.375,1639920.75,1715819.375,2365483.25,1519362.25,2361931.0,1668508.375,1911907.5,1515285.0,1453335.375,2564527.0,2356628.0,2247053.25,2616263.25 "766.59155 Da 907.54 s",15.13,765.58427,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",857488.375,2860898.25,805116.1875,3683577.75,924117.625,1789362.0,2768612.25,3342588.25,1502442.375,1156715.875,2272817.0,1501284.625,2028375.25,3873549.0,2932649.75,1752532.125,1063416.25,1890945.125,2488188.75,3012891.75,2546433.75,1727713.0,1767849.125,2905246.5,754129.625,2309268.0,2069088.0,1356970.0,2479530.5,1247541.5,805695.875,1918381.125,2102275.75,1658540.375,1779400.25,1779225.375 "887.52703 Da 908.42 s",15.14,886.51976,"PC 35:5","C43H76NO8P",0.0,710934.4375,883910.375,0.0,392426.3125,978875.6875,839482.9375,0.0,802949.8125,763897.0625,759107.375,511573.9375,871237.125,0.0,0.0,897942.6875,567489.3125,1025827.375,366683.5625,758946.875,468403.0,734870.0625,0.0,818376.375,842717.5625,690726.375,762045.3125,729804.125,0.0,700535.5,649710.625,671870.0,616079.75,899161.4375,493953.21875,572188.5625 "452.45925 Da 908.92 s",15.15,451.45197,"Sphingomyelin d18:0-C23:0","C46H95N2O6P",3615766.25,2455925.5,4066764.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,683533.375,846710.9375,0.0,2999060.25,2935509.5,0.0,0.0,3911096.75,0.0,0.0,0.0,0.0,0.0,0.0,918365.125,0.0,2300504.75,4779155.0,2658367.5,0.0,0.0,804784.125,0.0,0.0,0.0,0.0 "832.60222 Da 911.33 s",15.19,831.59494,"PC 36:1","C44H86NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,814826.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,618041.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "701.53585 Da 911.40 s",15.19,700.52857,"PE O-34:2","C39H76NO7P",1502740.0,2395323.75,2653478.5,1471875.25,2298320.0,2090720.0,1683044.875,1592998.125,1605159.0,1280059.625,1763246.75,2621523.0,3355012.25,2458797.25,2101742.75,2565069.0,1232872.75,2799822.0,3329043.5,2630105.25,3390550.75,1814627.625,1168210.75,1725336.25,1410775.875,3954904.5,4023469.5,3830252.5,3656629.0,3464681.5,2718107.75,2624754.25,3511135.0,3246160.5,3870750.25,3674634.25 "702.53891 Da 911.92 s",15.20,701.53164,"Vaccenic acid","C18H34O2",1166718.375,2386839.0,2627492.25,860041.8125,2497475.5,2273662.25,2030334.875,1017451.125,1745019.125,707148.3125,1708662.875,2472365.75,3454028.0,2063133.25,2423849.25,2409338.0,1069220.625,2822074.75,3143881.25,2363448.25,3436549.75,1798960.875,1137988.125,1642767.5,1101322.625,3346500.0,4694707.0,4156805.0,3694467.5,3334114.25,2637788.25,2310806.0,3801417.0,3058460.5,4507686.5,3780460.5 "1249.31839 Da 915.24 s",15.25,1248.31112,"Valdecoxib","C16H14N2O3S",533605.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "995.60486 Da 916.05 s",15.27,994.59759,"Lamiide","C17H26O12",529783.625,810613.4375,0.0,0.0,874636.375,671925.3125,824553.875,457424.84375,0.0,793385.9375,767501.0625,625730.1875,864146.0,710904.125,832101.1875,629004.3125,0.0,850110.0,0.0,753319.375,0.0,0.0,683474.625,618369.3125,0.0,936383.1875,856562.25,486582.34375,602475.625,550655.25,790367.1875,816607.125,1059697.875,757303.9375,867248.1875,1016750.125 "542.52723 Da 916.90 s",15.28,541.51996,"NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone","C29H47N5O7",1208225.75,1188073.25,1321185.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1370404.5,1253022.875,0.0,0.0,1678511.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1401229.125,1535164.5,1262648.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "808.60088 Da 918.20 s",15.30,807.59361,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,1070975.25,0.0,1982059.75,0.0,0.0,468562.75,1138449.375,804592.5,573637.375,484285.8125,0.0,672971.875,864386.5625,527624.5625,681290.5,0.0,661138.125,1447858.0,1492440.375,986069.9375,0.0,881291.5,0.0,0.0,990625.875,925383.5625,0.0,1074672.125,717749.625,0.0,0.0,1148226.0,0.0,617816.8125,0.0 "851.60637 Da 918.46 s",15.31,850.59909,"PS O-42:5","C48H86NO9P",0.0,0.0,927316.3125,0.0,886023.5625,809278.1875,955266.5,0.0,909337.9375,0.0,0.0,907309.0,545832.125,766776.0625,469792.25,791647.3125,0.0,840663.1875,960653.75,910233.1875,663536.3125,0.0,0.0,900081.625,0.0,1129345.5,970840.4375,0.0,635953.4375,794209.75,864387.3125,0.0,682170.875,766254.6875,620371.75,826095.625 "963.57252 Da 918.70 s",15.31,962.56524,"Folic acid","C19H19N7O6",0.0,0.0,0.0,0.0,814005.125,0.0,0.0,596434.0625,820701.375,0.0,777984.6875,829545.4375,0.0,0.0,0.0,0.0,0.0,0.0,592383.375,578623.625,963451.0625,708713.5625,0.0,869688.125,0.0,0.0,0.0,0.0,0.0,908738.0,572061.75,0.0,989882.625,1049430.75,839444.1875,943680.0 "1037.57690 Da 919.04 s",15.32,1036.56963,"17,21-Dihydroxypregn-4-ene-3,20-dione","C21H30O4",847914.25,731833.6875,995673.8125,863066.6875,1162864.375,1332837.0,691721.9375,544491.0625,1201358.625,975079.875,780386.75,738625.4375,1210191.75,1013139.5,1482402.75,1020153.375,946866.375,1054146.75,866410.6875,764880.5,1277635.5,638018.75,895111.25,607767.5625,993480.0,1235561.875,642570.3125,681581.0625,965530.75,830131.75,1140055.75,1253491.0,1289332.625,1157743.625,1178374.375,1255567.25 "970.59318 Da 919.11 s",15.32,969.58590,"Octadecanedioic acid","C18H34O4",1279516.25,1445380.5,1345943.375,1031509.5,1730147.0,1450713.75,1459812.25,1483201.0,1775460.125,1491236.875,1488190.125,1604398.25,1660913.75,1390310.125,1556878.75,1493558.625,1126687.375,1537881.25,1755349.75,1924934.125,1694164.625,1514690.125,1299514.625,1696764.0,1150020.25,1424883.0,1557995.875,1591712.75,1424602.125,1780681.75,1214555.25,1471394.75,1527766.5,1751350.75,1750978.875,1807086.5 "823.58525 Da 919.28 s",15.32,822.57797,"PE 38:2","C43H82NO8P",810894.625,0.0,807759.0625,0.0,669291.25,0.0,775333.0,925602.375,408233.65625,0.0,0.0,600874.6875,628558.5,500018.53125,622124.3125,671173.0625,0.0,820991.4375,708629.6875,501703.25,526512.75,0.0,0.0,702528.9375,0.0,815710.0,706995.375,875247.9375,660500.0,834351.9375,819839.1875,0.0,905627.0,725981.5,506592.15625,813197.125 "844.63920 Da 919.71 s",15.33,843.63192,"SM d41:2","C46H91N2O6P",0.0,1096738.25,821937.9375,0.0,491237.625,697666.375,845275.0625,1002639.3125,0.0,816311.625,486220.6875,957383.25,0.0,1001179.6875,1092833.25,996542.375,0.0,930765.0,785118.8125,804018.4375,457346.9375,738781.125,0.0,680684.75,0.0,887654.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,739265.6875,0.0 "856.66697 Da 920.11 s",15.34,855.65970,"SM d42:3","C47H91N2O6P",1201691.25,1111534.625,1286403.75,0.0,943862.75,781302.25,916082.1875,949979.6875,1080602.0,953813.0,1087827.0,1162945.5,923641.0625,1102801.625,1098470.5,1071934.875,984874.4375,1110483.125,1463645.0,821377.625,1137652.75,889472.4375,726073.375,841239.5,821601.1875,890491.1875,1403766.125,1480144.25,1030236.875,966061.4375,707455.0625,1007712.4375,1540215.875,1115864.75,1413812.375,852545.375 "831.64492 Da 920.75 s",15.35,830.63764,"PC 36:1","C44H86NO8P",1025619.25,951292.8125,530053.6875,0.0,1324305.75,1114550.875,967016.5625,1150755.875,530491.875,930319.3125,337096.78125,881141.375,883212.8125,310741.9375,979021.625,567664.4375,792405.375,1117895.375,434260.71875,913209.6875,649775.375,858808.4375,949413.875,465793.46875,872422.75,1238166.75,470132.5,972120.0625,971222.3125,0.0,918420.0,1017919.4375,1041650.6875,547149.375,867664.375,855681.3125 "282.25568 Da 922.64 s",15.38,281.24840,"6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid","C15H7ClO7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2184925.75,0.0,0.0,0.0,0.0,2989910.75,4695576.5,0.0,0.0,2886902.25,0.0,0.0,0.0,0.0,0.0,1395908.625,2543265.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "384.32435 Da 928.53 s",15.48,383.31707,"Corticosterone","C21H30O4",0.0,423276.59375,305050.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "814.55280 Da 929.13 s",15.49,813.54552,"SM d38:0","C43H89N2O6P",0.0,583267.5625,398198.78125,0.0,557410.4375,0.0,701300.9375,0.0,0.0,0.0,701627.875,696315.375,739788.8125,564755.4375,798687.875,0.0,0.0,571132.625,776317.5625,932372.5625,893743.1875,0.0,0.0,682073.125,0.0,838607.125,1038779.6875,853485.0,777946.125,736461.4375,0.0,620179.3125,954991.625,503769.0625,986500.6875,1031201.75 "779.58087 Da 930.08 s",15.50,778.57359,"Docosatetraenoic acid","C22H36O2",0.0,709345.6875,471279.28125,0.0,1216133.75,422478.5625,0.0,0.0,611946.3125,0.0,1061521.25,563393.5,369529.90625,834512.25,529449.375,443929.875,0.0,396124.5,622832.125,942698.3125,944087.75,689314.0625,0.0,611431.4375,0.0,384591.03125,690047.5,314667.03125,432461.0,715227.875,0.0,0.0,864521.625,587512.625,435834.625,508774.09375 "847.62968 Da 933.05 s",15.55,846.62241,"PC(18:1(9Z)/18:1(9Z))","C44H84NO8P",827300.6875,705329.3125,640755.375,0.0,0.0,0.0,921083.125,0.0,0.0,0.0,0.0,480044.6875,934242.6875,766431.9375,0.0,0.0,0.0,816821.8125,813722.1875,979222.4375,950235.6875,0.0,0.0,0.0,0.0,1003278.6875,982985.0625,673567.4375,946553.875,858629.125,0.0,0.0,1130650.5,998876.3125,902784.375,1026119.0 "805.58331 Da 933.62 s",15.56,804.57603,"PC 16:0_18:1","C42H82NO8P",0.0,1438179.5,0.0,0.0,0.0,1402703.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,892348.125,0.0 "410.41200 Da 935.29 s",15.59,409.40473,"Squalene","C30H50",0.0,1208512.125,0.0,1293257.125,1535239.625,1293713.5,1459523.75,1266361.625,1225822.5,1383446.5,675710.9375,1178745.625,1365936.125,1008767.8125,1458669.875,1411363.625,1361116.0,1386410.5,1494439.125,1092058.375,1109771.0,1196205.25,1375565.625,1264386.0,1297847.875,1324219.875,1667561.625,1535197.5,1436556.375,1135462.625,1493155.0,1136056.375,1262135.5,1072988.0,1293973.5,1257908.375 "836.53921 Da 936.39 s",15.61,835.53193,"PS 40:6","C46H78NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,374821.6875,0.0,345391.1875,297014.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,243878.328125,0.0,0.0,0.0 "820.63882 Da 939.40 s",15.66,819.63154,"Imipramine","C19H24N2",1103939.75,1235873.625,1693381.625,0.0,1125307.125,827744.9375,1700458.25,1497936.875,905968.25,1063681.5,1428028.0,1067430.5,1318033.875,1884836.75,1708917.75,1971183.25,716402.9375,2076691.375,1930203.375,1644555.25,2273729.0,968409.4375,0.0,1060434.75,962864.875,2000736.625,1982598.25,2003154.25,1760212.375,1879869.5,1340965.375,1047474.1875,1404064.625,1381758.25,1784421.5,1153999.625 "793.61803 Da 939.46 s",15.66,792.61076,"PC O-34:0","C42H86NO7P",0.0,928630.875,0.0,783768.5,0.0,0.0,0.0,923601.4375,0.0,0.0,0.0,0.0,0.0,877365.8125,0.0,0.0,0.0,0.0,398220.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,666919.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "528.45461 Da 939.79 s",15.66,527.44733,"(2R,6R)-6-[(3R,10S,12S,13R,17R)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid","C34H52O7",3255196.0,2964266.75,3306502.5,1604806.25,4955473.0,4007931.5,4864672.5,4228662.0,4751384.5,5150325.0,6186444.5,8273618.0,5975480.0,2781139.25,3059162.5,3947352.5,2433007.25,2820005.25,5823769.5,6599873.5,4750501.0,7003307.0,4919658.0,4387176.5,5089970.5,4575860.5,3203384.75,3203854.25,3375142.0,4976000.5,3679086.75,6957788.0,6016232.0,5017225.5,7625569.0,8279842.5 "729.56687 Da 942.05 s",15.70,728.55959,"Imipramine","C19H24N2",0.0,0.0,937033.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1151672.125,972185.6875,930693.875,0.0,0.0,0.0,1143124.875,785957.0625,0.0,1224927.25,0.0,0.0,0.0,0.0,1159484.5,873571.875,1555934.75,974670.4375,1037942.75,0.0,0.0,924945.1875,934736.0625,1364626.5,785439.5625 "480.49035 Da 943.58 s",15.73,479.48307,"Rebaudioside A","C44H70O23",1309204.5,2032015.25,1693719.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1054458.375,2085303.25,0.0,0.0,1260453.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1772468.125,1549679.875,1802421.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "858.68160 Da 950.51 s",15.84,857.67432,"(2-{[3-hydroxy-2-[tetracos-15-enamido]octadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium","C47H93N2O6P",832891.0,0.0,787623.5,720559.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,695697.125,0.0,588341.875,812800.4375,0.0,0.0,378678.84375,660328.4375,894022.1875,891152.1875,0.0,0.0,0.0,0.0,684358.0,715318.375,829436.5,1092577.25,689917.6875,0.0,0.0,0.0,0.0,0.0,0.0 "450.44372 Da 950.53 s",15.84,449.43644,"Sphingomyelin d18:1-C21:0","C44H89N2O6P",1173985.5,1174788.0,778150.125,1111691.5,1055261.875,1070996.0,988485.25,1161262.25,1061300.75,1061100.75,1505712.25,977224.375,1020019.0,1052083.375,1411171.625,0.0,1217659.125,1014442.875,1156929.625,1268727.75,1112612.0,0.0,1246041.0,1186517.375,798504.5625,728421.0625,912645.9375,986359.625,1265438.375,1266238.75,1296560.75,1190126.0,1211813.75,838796.625,1144484.375,1007280.9375 "727.63305 Da 952.92 s",15.88,726.62577,"Cer[AP] t42:1","C42H83NO5",1107543.25,0.0,677114.625,867105.3125,0.0,0.0,0.0,0.0,859168.875,960110.5625,0.0,450791.125,872761.4375,0.0,0.0,733106.75,757345.9375,863378.0625,978597.4375,0.0,744724.4375,860619.6875,769588.875,794907.5625,791200.5,916375.0,881706.625,756524.8125,757290.0,808849.75,875331.3125,970083.375,536911.3125,0.0,778232.0625,498012.71875 "424.42783 Da 954.92 s",15.92,423.42055,"(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0?,??.0?,?.0??,??]icosane-5,15-dicarboxylic acid","C30H46O5",1646919.25,788668.75,805902.0,905814.0625,1663908.0,876478.75,912049.0625,928645.875,1368475.375,1099737.625,948939.3125,1657931.5,1287053.0,1651884.375,1570129.75,1340223.75,857093.25,1687294.75,1125285.5,1582304.75,1004769.6875,1570060.375,877033.125,1821465.125,969540.75,1602274.375,809012.6875,1504136.0,1486978.875,1017702.9375,1449597.25,796616.5625,1044161.0,1330166.75,1198579.875,1412469.25 "284.27170 Da 956.20 s",15.94,283.26443,"Stearic acid","C18H36O2",0.0,0.0,0.0,3225578.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2082263.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1485500.125,0.0,0.0,0.0,0.0,0.0 "790.55523 Da 965.92 s",16.10,789.54796,"2-amino-3-({hydroxy[2-[octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid","C42H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,367319.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,511607.0625 "668.56004 Da 969.02 s",16.15,667.55276,"NCGC00385705-01_C43H68O14_(3beta,5xi,9xi,16beta,18xi,21beta,22alpha)-28-Acetoxy-16,22,23-trihydroxy-21-[(2-methylbutanoyl)oxy]olean-12-en-3-yl beta-D-glucopyranosiduronic acid","C43H68O14",855039.625,0.0,0.0,810166.3125,681944.9375,993521.5625,794984.75,855922.8125,0.0,654776.3125,992470.8125,749021.625,1039261.375,901388.5625,322619.59375,834628.625,0.0,715131.75,1010445.375,949289.75,861737.6875,671290.3125,0.0,0.0,0.0,1205426.25,732731.25,849459.625,709263.25,1022394.8125,853448.5625,0.0,566108.9375,894518.6875,1177012.5,1148280.625 "805.58517 Da 976.38 s",16.27,804.57789,"PC 16:0_18:1","C42H82NO8P",0.0,0.0,0.0,0.0,930913.3125,0.0,1031584.375,1239666.75,607850.6875,1051380.625,0.0,1114472.75,0.0,729025.0625,723654.5625,723083.5,0.0,1068133.375,729062.5,502955.40625,0.0,492241.375,500369.84375,0.0,0.0,0.0,0.0,0.0,367059.90625,807033.0,0.0,559845.375,655135.8125,750648.625,0.0,316029.59375 "772.65386 Da 980.09 s",16.33,771.64659,"2,3-Dihydroxybiphenyl","C12H10O2",0.0,0.0,0.0,912854.8125,834203.375,934214.75,0.0,587888.25,375102.03125,978508.0,937962.25,810522.375,818461.3125,0.0,746047.5625,0.0,970809.5,725150.5625,0.0,0.0,735266.5,836632.875,0.0,649801.9375,816880.0625,906152.5625,718808.5,0.0,0.0,871868.4375,769267.625,748292.75,744981.5625,724403.0,734354.4375,0.0 "729.64824 Da 983.40 s",16.39,728.64096,"Cer[AP] t42:0","C42H85NO5",439879.46875,786432.3125,0.0,772522.8125,740218.5625,677490.0,917055.9375,792572.25,712379.25,719041.875,667922.375,876737.75,928064.625,877478.1875,0.0,845275.1875,795406.6875,0.0,653685.125,839110.1875,621566.75,604197.75,878748.125,778932.8125,620863.375,826769.8125,775982.75,0.0,0.0,0.0,576838.6875,978365.0625,776662.6875,0.0,0.0,772804.0625 "410.41211 Da 984.94 s",16.42,409.40484,"Squalene","C30H50",0.0,0.0,602447.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,747135.0,267616.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "626.62062 Da 986.54 s",16.44,625.61334,"Quercetin","C15H10O7",779259.375,0.0,678633.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,828349.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "586.47994 Da 991.96 s",16.53,585.47266,"Palmitoleic acid","C16H30O2",0.0,0.0,193622.453125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.52750 Da 997.75 s",16.63,639.52022,"Elaidic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,239675.6875,262386.875,0.0,0.0,0.0,0.0,0.0,0.0,687073.875,0.0,0.0,590454.875,453120.6875,0.0,0.0,0.0,0.0,0.0 "312.30260 Da 997.88 s",16.63,311.29532,"Methylgallate","C8H8O5",955022.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "664.52682 Da 1002.96 s",16.72,663.51955,"3-oxo-C12 homoserine lactone","C16H27NO4",0.0,325940.21875,191244.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "326.31811 Da 1003.96 s",16.73,325.31084,"Methylgallate","C8H8O5",194910.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34965 Da 1005.65 s",16.76,365.34237,"Nervonic acid","C24H46O2",0.0,330530.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "967.00689 Da 1011.53 s",16.86,965.99961,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,133714.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36518 Da 1018.83 s",16.98,367.35790,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,1253958.25,0.0,0.0,0.0,0.0,0.0,309322.90625,568924.8125,0.0,0.0,3958568.25,0.0,1855193.625,0.0,0.0,1289753.75,0.0,1146778.0,0.0,0.0,375129.78125,0.0,2809755.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,412132.0,0.0 "366.34917 Da 1038.66 s",17.31,365.34189,"Nervonic acid","C24H46O2",930835.875,180493.109375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "967.00671 Da 1044.00 s",17.40,965.99943,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,183839.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24054 Da 1051.02 s",17.52,255.23327,"Sphingomyelin d18:2-C18:0","C41H81N2O6P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1793200.375,0.0,0.0,5950554.5,0.0,0.0,0.0,3553823.0,0.0,0.0,0.0,0.0,0.0,0.0 "615.51465 Da 1057.03 s",17.62,614.50738,"Sulfathiazole","C9H9N3O2S2",0.0,0.0,389159.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,473614.3125,251763.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41172 Da 1069.78 s",17.83,409.40445,"Squalene","C30H50",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,244289.390625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "600.49622 Da 1092.36 s",18.21,599.48895,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",953477.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "394.37998 Da 1105.81 s",18.43,393.37271,"Hederagenin","C30H48O4",379129.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36836 Da 1118.00 s",18.63,368.36109,"Docosyl acetate","C24H48O2",0.0,0.0,1437656.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,280803.28125,171881.515625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "412.35485 Da 1129.84 s",18.83,411.34757,"10-Hydroxydecanoic acid","C10H20O3",225514.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "598.48080 Da 1130.14 s",18.84,597.47352,"(+/-)-cis,trans-abscisic acid","C15H20O4",0.0,0.0,265206.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,295944.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28601 Da 1138.12 s",18.97,309.27873,"Eicosenoic acid","C20H38O2",0.0,0.0,208214.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "370.30747 Da 1148.74 s",19.15,369.30019,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",429731.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "654.54244 Da 1150.89 s",19.18,653.53516,"Oleic acid","C18H34O2",0.0,0.0,199974.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,102906.640625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "641.52994 Da 1158.23 s",19.30,640.52266,"Sucralose","C12H19Cl3O8",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,272189.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "586.48073 Da 1170.55 s",19.51,585.47345,"Estrone","C18H22O2",0.0,319247.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "397.39950 Da 1187.63 s",19.79,396.39223,"Ethyldodecanoate","C14H28O2",575898.3125,0.0,150413.453125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,209706.203125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "412.35416 Da 1191.33 s",19.86,411.34689,"(6E,10Z,14E)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid","C20H26O4",151818.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41192 Da 1219.96 s",20.33,409.40464,"Squalene","C30H50",497658.0,0.0,353706.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,236269.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "629.53063 Da 1223.25 s",20.39,628.52335,"Pyridoxal","C8H9NO3",368204.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "600.49557 Da 1255.81 s",20.93,599.48830,"Dolasetron","C19H20N2O3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,386370.6875,220397.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34925 Da 1260.48 s",21.01,365.34197,"Nervonic acid","C24H46O2",483701.90625,214202.890625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "610.48067 Da 1260.95 s",21.02,609.47339,"Canavanine","C5H12N4O3",0.0,0.0,354256.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30213 Da 1281.44 s",21.36,311.29485,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,127430.6328125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33934 Da 1283.31 s",21.39,397.33207,"1,11-Undecanedicarboxylic acid","C13H24O4",0.0,0.0,341455.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,769397.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "338.31795 Da 1300.51 s",21.68,337.31067,"1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine","C49H94NO8P",144486.421875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28629 Da 1306.30 s",21.77,309.27902,"6-Methoxyflavonol","C16H12O4",0.0,0.0,334157.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "627.51520 Da 1309.18 s",21.82,626.50792,"Digoxin","C41H64O14",0.0,0.0,212595.140625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "967.00803 Da 1312.11 s",21.87,966.00075,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",0.0,527185.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "586.48050 Da 1313.01 s",21.88,585.47322,"Estrone","C18H22O2",0.0,0.0,112531.3046875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33369 Da 1323.12 s",22.05,339.32642,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,580105.625,299692.21875,208711.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.21956 Da 1352.24 s",22.54,269.21228,"Baicalein","C15H10O5",121789.1171875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "586.48079 Da 1367.72 s",22.80,585.47352,"PE 36:5","C41H72NO8P",0.0,289736.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41246 Da 1367.78 s",22.80,409.40518,"Squalene","C30H50",488278.84375,0.0,387391.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.37081 Da 1403.11 s",23.39,425.36353,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",152904.796875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41176 Da 1406.97 s",23.45,409.40448,"Squalene","C30H50",499858.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34938 Da 1409.04 s",23.48,353.34211,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,158125.390625,607163.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "657.89184 Da 1414.27 s",23.57,656.88456,"Diphenylphosphate","C12H11O4P",0.0,482484.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "666.54272 Da 1426.71 s",23.78,665.53544,"6-Azuridine","C8H11N3O6",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,281876.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "725.87934 Da 1438.13 s",23.97,724.87206,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,607552.9375,0.0,0.0,0.0 "967.00834 Da 1442.78 s",24.05,966.00106,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",849869.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,294820.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "667.54642 Da 1445.05 s",24.08,666.53915,"(2R,3R,4S,5S,6R)-2-[[(4aS,5S,6aS,6bR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","C53H88O22",281745.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30178 Da 1448.21 s",24.14,311.29450,"Methylgallate","C8H8O5",0.0,870103.375,129018.1015625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,232012.109375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "586.48069 Da 1453.57 s",24.23,585.47341,"Estrone","C18H22O2",532015.0625,267831.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "633.93076 Da 1460.64 s",24.34,632.92348,"Benzenesulfonic acid","C6H6O3S",240115.578125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "664.16370 Da 1461.34 s",24.36,663.15643,"Dolasetron","C19H20N2O3",208671.59375,0.0,0.0,182079.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,347282.4375,0.0,0.0,0.0,0.0,273422.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,422411.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "732.15221 Da 1467.81 s",24.46,731.14493,"Tolterodine","C22H31NO",259266.765625,320782.71875,316472.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33368 Da 1470.99 s",24.52,339.32641,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,250717.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33915 Da 1475.78 s",24.60,397.33187,"Ethyldodecanoate","C14H28O2",0.0,192593.390625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,353450.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "929.84363 Da 1479.94 s",24.67,928.83635,"steviolbioside","C32H50O13",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,279326.28125,311176.8125,0.0,0.0,0.0,356320.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,219668.0625,0.0,202517.3125,0.0 "624.49612 Da 1480.37 s",24.67,623.48885,"PI(18:0/12-HEPE)","C47H81O14P",0.0,185390.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27153 Da 1488.23 s",24.80,283.26425,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1394803.125,0.0,0.0,1888865.625,0.0,0.0,0.0,0.0,3626553.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,865340.375,0.0,0.0 "664.16535 Da 1491.91 s",24.87,663.15807,"Dolasetron","C19H20N2O3",300166.46875,0.0,0.0,0.0,0.0,0.0,429391.3125,300931.71875,0.0,0.0,0.0,132563.890625,0.0,464068.34375,0.0,322515.1875,0.0,220625.421875,0.0,0.0,255579.4375,0.0,301849.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,368966.0,0.0,175429.984375,0.0,0.0,0.0 "652.52755 Da 1493.77 s",24.90,651.52027,"5-Hydroxyindoleacetic acid","C10H9NO3",229425.203125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "732.15142 Da 1500.75 s",25.01,731.14414,"Dolasetron","C19H20N2O3",0.0,203812.515625,0.0,354364.125,200492.421875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,315969.4375,0.0,310135.25,0.0,403537.46875,319186.46875,0.0,0.0,246018.734375,0.0,0.0,0.0,181700.09375,0.0,332237.0,235184.203125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "851.82623 Da 1503.61 s",25.06,850.81895,"ONONETIN","C15H14O4",0.0,615474.0625,0.0,752479.1875,0.0,452265.65625,711142.6875,0.0,463812.90625,468277.90625,669014.5,809133.4375,651154.8125,0.0,0.0,0.0,0.0,575205.75,324091.53125,438307.46875,644773.5,630075.6875,439629.96875,735053.8125,588661.5625,613494.0625,459864.65625,717591.125,527067.9375,0.0,592107.1875,666321.8125,0.0,704860.875,833157.1875,0.0 "606.89533 Da 1504.44 s",25.07,605.88805,"Boscalid","C18H12Cl2N2O",0.0,0.0,0.0,1118403.75,0.0,1161107.5,0.0,0.0,0.0,1266238.875,1354270.875,1255390.0,1262213.375,1020609.625,1009465.4375,1034625.4375,1225057.125,0.0,0.0,0.0,0.0,1283937.125,0.0,1210794.375,578619.4375,0.0,0.0,0.0,0.0,0.0,0.0,1247277.0,988255.375,1259574.125,0.0,0.0 "741.85290 Da 1512.54 s",25.21,740.84562,"17,21-Dihydroxypregn-4-ene-3,20-dione","C21H30O4",1358051.625,866483.875,1283304.375,1753295.75,1351326.0,1335325.0,1081669.125,1412732.625,1235053.75,1244193.75,1102410.375,1252317.375,554824.0,1025212.25,1240965.75,1458232.625,1219172.5,1250265.5,1372665.375,1639049.875,1285610.0,1168356.75,1003359.875,890570.25,1099931.0,564760.375,1338735.375,1265054.75,1644005.875,1130836.25,1203556.5,1340903.5,840224.8125,1217754.125,1185536.5,1367884.625 "963.83706 Da 1516.34 s",25.27,962.82978,"Cefdinir","C14H13N5O5S2",0.0,0.0,0.0,0.0,2200607.75,2763412.75,3019779.75,2308141.75,3265597.0,2475926.5,3352822.0,2543756.75,2805743.25,0.0,0.0,0.0,0.0,2717868.0,2409623.5,2632140.75,3247288.5,0.0,1312050.625,0.0,3023818.5,2130409.0,1800938.25,0.0,2290324.5,1705109.75,1224178.75,3054145.75,2594497.75,1422030.5,1696904.125,1714291.25 "695.86889 Da 1528.21 s",25.47,694.86161,"Triclosan","C12H7Cl3O2",3205090.0,2986255.75,2911445.5,2965594.5,2976959.75,3084251.0,2987059.25,3004699.0,3188541.75,3155095.5,0.0,2996328.25,3171071.5,1760338.125,2962688.75,2695556.0,2709750.25,3587017.5,3489287.75,3283714.0,3396214.25,3167299.25,3250763.0,3314384.25,3121977.0,3162406.25,3314679.0,3048753.0,2851007.0,3235408.25,3117864.0,3416983.0,3160879.75,3126157.5,0.0,3161265.75 "280.24015 Da 1538.49 s",25.64,279.23287,"Linoleic acid","C18H32O2",0.0,791964.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "967.00814 Da 1538.56 s",25.64,966.00086,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",625416.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "559.89462 Da 1539.44 s",25.66,558.88734,"(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one","C16H14O7",0.0,0.0,2092990.125,0.0,2001332.875,2062114.125,2061583.625,0.0,2104562.5,0.0,2557117.25,1959904.0,2194873.0,0.0,2097595.0,1979655.75,1924107.5,1170856.125,1657695.5,1124364.375,2006118.25,1926068.625,2022728.5,1922970.625,2022671.25,0.0,1882292.5,969023.5,1959834.375,1965670.875,0.0,0.0,0.0,1978574.5,1698085.75,2095348.25 "735.86208 Da 1546.60 s",25.78,734.85480,"Triclosan","C12H7Cl3O2",0.0,0.0,0.0,0.0,0.0,329455.5625,424704.4375,522584.5625,440856.0,453107.65625,343119.46875,494004.0,282216.09375,0.0,412560.875,0.0,185675.265625,0.0,357164.21875,382594.15625,452490.28125,493579.5625,357695.75,272211.96875,497263.0,0.0,0.0,0.0,1065483.375,358929.6875,364187.9375,596477.8125,0.0,313155.5625,170098.6875,644821.0625 "665.85780 Da 1546.64 s",25.78,664.85053,"Thiophanic acid","C14H6Cl4O5",0.0,0.0,0.0,583101.0,946333.625,714770.25,465489.875,829603.625,715337.625,0.0,772471.125,726233.4375,985607.125,0.0,365365.0625,693427.125,594451.4375,0.0,771790.5625,733349.25,784144.1875,796120.375,855410.375,778573.4375,660913.125,980339.875,479242.90625,0.0,507786.96875,623145.875,659765.125,813250.75,546237.1875,669811.3125,704073.0,0.0 "312.30243 Da 1553.37 s",25.89,311.29516,"Arachidic acid","C20H40O2",1492549.375,631003.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "601.49893 Da 1560.28 s",26.00,600.49166,"6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one","C20H30O5",320352.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "599.88637 Da 1561.62 s",26.03,598.87909,"(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one","C16H14O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,714496.1875,0.0,0.0,837136.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "491.90664 Da 1562.76 s",26.05,490.89937,"3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid","C19H18N4O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,948669.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,882427.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,531356.9375,0.0,0.0,0.0,532657.875,0.0,0.0,0.0,0.0,0.0 "398.33885 Da 1593.27 s",26.55,397.33157,"Ethyldodecanoate","C14H28O2",462405.03125,326789.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25579 Da 1593.28 s",26.55,281.24852,"Petroselinic acid","C18H34O2",0.0,4278306.5,5678699.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2304257.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1386102.75,0.0,0.0,0.0,3180485.75,0.0,0.0,2249017.75,0.0,0.0,0.0,0.0,0.0 "342.20412 Da 4.89 s",0.08,341.19684,"9-Phenanthrenol","C14H10O",375317.375,0.0,0.0,573355.25,385581.625,617550.375,0.0,0.0,532831.5625,602179.375,392235.375,598720.1875,731418.75,401095.65625,644305.3125,0.0,533051.3125,0.0,0.0,498222.84375,0.0,0.0,370615.375,0.0,0.0,425078.6875,0.0,487588.15625,0.0,422011.65625,0.0,441845.9375,0.0,552121.875,731783.375,0.0 "368.36541 Da 8.10 s",0.13,367.35813,"Lignoceric acid","C24H48O2",9880830.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4000974.75,3666470.75,0.0,0.0,1463613.375,0.0,572775.125,379645.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.52626 Da 11.19 s",0.19,639.51899,"Sclareol","C20H36O2",0.0,0.0,0.0,895794.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2162508.5,0.0,0.0,0.0,0.0,570613.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,146919.25,0.0,263442.3125,0.0,0.0,0.0,0.0,0.0 "257.24343 Da 12.34 s",0.21,256.23615,"Glucaric acid","C6H10O8",0.0,0.0,0.0,1003557.875,352503.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,709567.6875,0.0,0.0,543115.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,499158.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36812 Da 15.35 s",0.26,368.36084,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,701579.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,254037.265625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51147 Da 15.46 s",0.26,613.50419,"Crotonoyl coenzyme A lithium salt","C25H40N7O17P3S",1813118.375,3283398.5,0.0,0.0,783031.625,607608.8125,0.0,459248.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,698480.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1378579.5,0.0,0.0,0.0,0.0,478743.8125,0.0,0.0,0.0,0.0,0.0 "368.36558 Da 16.02 s",0.27,367.35831,"Lignoceric acid","C24H48O2",0.0,7037578.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,417741.84375,0.0,4847536.5,0.0,0.0,0.0,0.0,0.0,439213.8125,0.0,0.0,0.0,0.0,0.0,0.0,2593369.25,0.0,0.0,1317378.0,0.0,0.0,0.0,283512.9375,372339.09375,0.0 "412.35449 Da 16.73 s",0.28,411.34721,"Corticosterone","C21H30O4",208374.109375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.54272 Da 16.73 s",0.28,641.53545,"Methionine sulfoxide","C5H11NO3S",2128290.75,2813343.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1096751.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "338.31768 Da 19.61 s",0.33,337.31040,"5-[6-(3-hydroxy-4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol","C20H22O6",355829.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36514 Da 21.09 s",0.35,367.35786,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,394294.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,402358.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1189152.5,0.0,0.0,0.0,0.0,0.0 "354.34947 Da 22.73 s",0.38,353.34219,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1265618.5,562710.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,886372.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20399 Da 23.20 s",0.39,341.19671,"Zardaverine","C12H10F2N2O3",0.0,0.0,104401.609375,466768.03125,0.0,0.0,0.0,422026.40625,0.0,0.0,0.0,0.0,395198.5625,323493.03125,0.0,374877.375,0.0,622789.8125,0.0,0.0,363262.625,0.0,0.0,274627.0,0.0,0.0,0.0,367165.84375,320157.78125,0.0,0.0,468773.34375,0.0,0.0,401552.34375,367392.15625 "410.41184 Da 28.89 s",0.48,409.40456,"Squalene","C30H50",0.0,439886.125,505990.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30231 Da 30.11 s",0.50,311.29504,"Eicosanoic acid","C20H40O2",0.0,0.0,581268.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27181 Da 30.50 s",0.51,283.26454,"Bromoxynil","C7H3Br2NO",9442112.0,0.0,0.0,0.0,1691173.125,0.0,0.0,0.0,0.0,1489553.625,0.0,0.0,909442.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1583764.375,1138719.875,1408835.375,3682003.25,0.0,3378743.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,930993.1875 "338.31797 Da 30.81 s",0.51,337.31069,"Erucic acid","C22H42O2",397854.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36860 Da 32.00 s",0.53,368.36133,"Docosyl acetate","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,800467.5625,0.0,504727.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51108 Da 32.82 s",0.55,613.50380,"1,11-Undecanedicarboxylic acid","C13H24O4",0.0,0.0,1436534.625,0.0,0.0,0.0,395670.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1380382.125,0.0,0.0,0.0,257704.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1074148.25,313352.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20416 Da 35.59 s",0.59,341.19689,"Nicotinamide ribotide","C11H15N2O8P",0.0,0.0,0.0,522672.21875,0.0,0.0,371687.4375,0.0,0.0,0.0,0.0,0.0,258695.78125,0.0,372617.71875,0.0,0.0,269310.40625,0.0,622602.125,0.0,0.0,0.0,0.0,466108.875,0.0,561487.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39625 Da 39.12 s",0.65,395.38897,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,614708.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,500952.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,468716.34375,365041.5625,0.0,0.0,0.0,0.0,0.0,0.0 "368.36535 Da 40.01 s",0.67,367.35807,"Lignoceric acid","C24H48O2",9846392.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,460847.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,396270.59375,443233.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,576082.25,0.0,0.0,0.0 "256.24043 Da 40.84 s",0.68,255.23315,"Alpha-hydroxyisobutyric acid","C4H8O3",7590158.5,0.0,0.0,0.0,0.0,0.0,0.0,3236160.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3783623.75,0.0,0.0,0.0,0.0,0.0,0.0,2616676.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34917 Da 41.41 s",0.69,365.34189,"Nervonic acid","C24H46O2",0.0,385774.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34959 Da 42.63 s",0.71,353.34232,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,231095.390625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39686 Da 43.49 s",0.72,395.38959,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,272965.59375,214801.515625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1670969.875,0.0,1121167.875,0.0,0.0,245924.0625,0.0,0.0,0.0,0.0,0.0 "312.30244 Da 43.28 s",0.72,311.29517,"Arachidic acid","C20H40O2",1087216.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20435 Da 46.51 s",0.78,341.19708,"Zardaverine","C12H10F2N2O3",0.0,236577.796875,0.0,0.0,0.0,358199.78125,435961.375,508076.5625,625768.125,746871.3125,393194.9375,61134.32421875,0.0,0.0,0.0,0.0,0.0,0.0,268982.375,0.0,580619.875,0.0,0.0,0.0,0.0,0.0,546284.5625,0.0,0.0,0.0,293802.5625,594811.1875,348538.90625,830828.875,0.0,0.0 "410.41129 Da 48.05 s",0.80,409.40402,"Squalene","C30H50",0.0,0.0,252558.453125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39619 Da 54.94 s",0.92,395.38891,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,332781.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36530 Da 55.66 s",0.93,367.35803,"Lignoceric acid","C24H48O2",9090431.0,0.0,0.0,0.0,0.0,0.0,0.0,513731.53125,617381.9375,0.0,0.0,0.0,0.0,4373061.5,0.0,0.0,889058.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3025513.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "254.22495 Da 56.84 s",0.95,253.21767,"Citrulline","C6H13N3O3",0.0,0.0,4187414.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3406754.0,0.0,0.0,0.0,1593053.125,0.0,337781.21875,0.0,0.0,0.0,0.0,0.0,1451938.625,2413175.25,0.0,0.0,0.0,0.0,0.0,200912.03125,0.0,0.0,0.0 "453.93020 Da 60.86 s",1.01,452.92292,"Saccharopine","C11H20N2O6",2723407.5,3659236.0,2799946.75,0.0,3167196.75,2545753.0,2212012.25,1899737.875,1805261.0,2091593.125,2435192.25,2590073.25,2285981.25,2015050.0,1625561.125,2267313.5,5255371.0,4693122.5,2197981.25,2352727.5,1706463.0,1471253.875,3032348.5,3013883.0,2393316.75,2019819.625,1850526.0,3389284.0,2542914.75,4227822.5,2914241.75,2338174.75,3086365.25,2222639.75,4450496.5,2676176.0 "249.96768 Da 60.83 s",1.01,248.96041,"SUCCINATE","C4H6O4",1266526.75,0.0,2186473.25,0.0,891711.625,0.0,0.0,0.0,714458.75,0.0,897069.1875,955731.375,0.0,0.0,0.0,0.0,0.0,1059815.125,2136990.75,0.0,0.0,0.0,0.0,0.0,1343035.125,0.0,0.0,1410634.25,0.0,0.0,1734275.0,0.0,0.0,2192855.5,0.0,0.0 "249.96800 Da 61.04 s",1.02,248.96072,"Tartarate","C4H6O6",4172018.0,4809247.5,5641083.5,1868218.75,5929702.0,4864206.5,4847050.5,4721183.5,5517906.5,5020898.5,5166811.5,5364908.0,4367118.0,4403956.0,4020499.5,3760698.75,4224594.0,5063141.5,6013274.0,5986431.0,4665574.0,4085373.0,4378849.0,5740609.5,5266275.5,3569540.5,3124160.0,4508979.5,4854873.0,4089322.5,5105601.5,5051123.5,4712441.0,5322744.0,3915296.5,4561776.5 "249.96785 Da 60.77 s",1.01,248.96058,"Quinoclamine","C10H6ClNO2",1275839.25,1422901.375,1139441.125,0.0,1915398.25,1293859.875,1042470.4375,1072403.0,1379650.625,1083811.375,1392529.125,1263856.5,1285904.25,0.0,1179646.625,1235679.875,960756.5,1329569.375,1404601.5,1578702.5,1305197.5,0.0,1262535.125,1445319.5,1780534.5,1065045.25,0.0,1720288.75,1118369.5,1304227.0,1133766.0,994733.875,0.0,1119820.5,1248611.375,1142359.0 "249.96715 Da 59.50 s",0.99,248.95988,"SUCCINATE","C4H6O4",0.0,0.0,0.0,0.0,4877745.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "521.91763 Da 60.91 s",1.02,520.91036,"Selenomethionine","C5H11NO2Se",4981999.5,4305383.5,4786774.5,2667486.25,6000999.0,5661775.5,4045106.75,4326817.5,5029994.0,3824152.0,4830529.0,4800416.0,3740968.5,4513210.0,3402308.5,3573503.75,4284729.0,4370603.0,4749668.0,5226607.5,4629745.0,3460592.5,3895383.75,6050406.5,4732275.5,3034646.25,3061349.0,3794980.75,4627844.5,3472217.25,5221394.0,3721432.5,4056163.75,4833178.5,4200630.5,3852759.0 "249.96801 Da 61.35 s",1.02,248.96073,"SUCCINATE","C4H6O4",3730441.0,3103658.0,3087915.5,0.0,3986151.75,3287291.75,2499027.5,2711653.75,1865073.75,4106060.25,3813303.0,4281733.0,3945155.5,3000629.5,0.0,0.0,2755129.0,4131372.0,3575346.25,3622314.0,0.0,0.0,3351178.75,3868442.5,1876419.875,0.0,0.0,0.0,3141055.25,3193542.0,2311065.0,3063329.25,0.0,3478683.5,3241527.75,2672793.5 "589.90507 Da 60.69 s",1.01,588.89779,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",6677614.5,6514574.5,6920906.0,4548557.0,7516215.5,6401786.0,7049512.0,5577184.5,6812774.5,6426315.0,6570848.0,7070290.0,5796796.0,7279547.0,5680835.5,6147360.0,6553643.0,6316898.5,5795106.5,6144118.0,5408550.0,5321319.5,5411816.0,8778734.0,7082634.0,4552135.5,3303306.25,6299522.5,5980836.5,4916986.5,5966620.0,5235581.5,5523876.5,7326909.5,4889280.0,6130605.5 "657.89239 Da 60.69 s",1.01,656.88512,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",3994948.75,4294136.5,4479109.5,3089156.25,4493895.5,3416257.0,4152418.25,3829846.0,4365115.0,3704903.5,3738195.5,4435486.0,3417289.75,3605563.25,4352712.0,2950348.25,3676026.25,4738022.5,3454244.0,3299585.25,2946688.0,2586518.25,3910234.25,3942107.75,4533397.0,3629863.25,2189800.0,3929232.0,4488515.5,3387469.25,4362663.0,3129342.0,2952614.0,3769847.5,2976743.25,3374298.5 "242.06974 Da 62.73 s",1.05,241.06247,"Sphingomyelin d18:2-C16:0","C39H77N2O6P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3855417.5,4162707.25,0.0,0.0,3614282.5,3561557.25,3958090.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34963 Da 64.96 s",1.08,353.34235,"Tricosanoic acid","C23H46O2",0.0,1088378.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "254.22446 Da 66.57 s",1.11,253.21719,"Palmitoleic acid","C16H30O2",0.0,5260422.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1050494.75,2211121.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39657 Da 68.94 s",1.15,395.38929,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,575306.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1402238.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "657.89235 Da 68.04 s",1.13,656.88508,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,2924986.25,0.0,3540923.0,0.0,2634775.0,0.0,2894590.0,3643218.0,3354654.75,3720353.0,0.0,2503829.0,3367270.75,3322591.5,2639999.0,3469471.5,3037014.75,0.0,0.0,0.0,3802404.5,0.0,0.0,0.0,0.0,0.0,2039054.375,3019663.5,3143121.25,0.0,2647969.75,2921139.25,2599465.25,0.0 "666.54294 Da 68.85 s",1.15,665.53566,"Stearic acid","C18H36O2",0.0,0.0,564847.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36489 Da 70.69 s",1.18,367.35761,"Lignoceric acid","C24H48O2",3537472.75,0.0,0.0,0.0,1089230.875,966011.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,845118.1875,0.0,0.0,0.0,0.0,0.0,0.0 "284.27160 Da 74.65 s",1.24,283.26433,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,2279157.0,0.0,0.0,1011249.25,0.0,0.0,1506517.375,1547223.875,0.0,4494531.0,0.0,0.0,0.0,2043681.125,0.0,1466135.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2134500.0,0.0,0.0,1371665.125,1349870.25,1686109.75,1302448.875,0.0 "294.18310 Da 76.21 s",1.27,293.17583,"Dihydrozeatin","C10H15N5O",3524532.25,4571561.5,2991999.0,1541238.0,3026161.5,4009492.5,3611434.0,2644750.25,3855609.25,3088754.5,3473438.0,3345354.5,3896304.0,3883858.0,3264354.25,2930448.75,3867458.0,2842279.5,3031576.0,2684989.75,3158328.5,2752604.75,2780018.75,3582423.75,4038432.75,4171971.5,2670041.5,3716256.75,3171494.5,3807556.25,3630633.75,3021724.75,3840629.75,4719135.0,2941833.0,3461272.0 "418.16247 Da 75.47 s",1.26,417.15519,"2mPFOS","C8HF17O3S",0.0,1121827.125,734982.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,982478.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1093540.0,927206.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "448.14116 Da 77.08 s",1.28,447.13388,"Glucobrassicin","C16H20N2O9S2",1360964.375,1399674.375,1974911.0,0.0,0.0,0.0,0.0,1679358.375,0.0,1283383.375,1353734.5,0.0,0.0,1053973.375,1197719.125,0.0,0.0,1462675.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1773354.125,2161430.75,1980287.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "448.14145 Da 77.51 s",1.29,447.13417,"Glucobrassicin","C16H20N2O9S2",0.0,0.0,1208409.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1003147.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.52663 Da 78.94 s",1.32,639.51936,"Estrone","C18H22O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1051863.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1233306.125,527285.8125,913147.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "294.18267 Da 78.50 s",1.31,293.17539,"2-(3-(8-hydroxyoctyl)phenoxy)acetic acid","C16H24O4",0.0,3128578.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "612.49664 Da 79.41 s",1.32,611.48936,"Imipramine","C19H24N2",0.0,0.0,0.0,638715.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,683437.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,454176.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "294.18306 Da 80.42 s",1.34,293.17578,"Eugenitol","C11H10O4",2666169.0,1474193.0,2178545.25,0.0,1475234.0,1401988.75,1133724.625,805229.8125,880627.0625,1225230.125,1087424.0,2621975.75,1524220.0,2266259.25,1944692.625,1230054.375,1351925.75,1275696.0,928411.75,1135449.5,1074800.875,1431382.0,1106848.625,2046106.25,901162.25,2334115.5,1458583.0,3647463.0,1992800.375,2408660.0,1562109.0,1160764.875,2124945.75,1905990.375,3267469.0,1268040.375 "418.16256 Da 83.48 s",1.39,463.16080,"NCGC00347607-02!2-acetyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one","C22H26O8",1119739.375,1019516.4375,1328342.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1099490.875,944544.5,0.0,0.0,1408519.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1474696.5,2383788.5,1187026.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.52750 Da 83.90 s",1.40,639.52022,"Azadirachtin","C35H44O16",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,662025.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,648795.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36494 Da 82.71 s",1.38,367.35766,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,458612.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,826518.0,0.0,811829.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,994965.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "493.09077 Da 84.98 s",1.42,492.08350,"verproside","C22H26O13",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3463199.0 "249.96752 Da 85.70 s",1.43,248.96025,"b-Ala-Lys","C9H19N3O3",0.0,0.0,0.0,0.0,659629.0,0.0,0.0,608644.125,484959.5,435607.59375,864565.0625,607353.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,979612.5625,0.0,0.0,943082.0,470757.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "357.11490 Da 86.87 s",1.45,356.10762,"Quinolinic acid","C7H5NO4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3214748E8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.21343424E8,1.01955296E8,1.50091936E8,1.19661608E8,1.320678E8,1.47296992E8,1.45925904E8,1.44275888E8,1.47191328E8,1.34803808E8,1.58330112E8 "357.11451 Da 88.80 s",1.48,356.10723,"Rosigltazone","C18H19N3O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1811300.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1862864.375,0.0,2022967.25,3682386.0,2388883.25,1700081.0,3004389.5,0.0,1295283.375,2553505.0,1043910.875 "493.08980 Da 88.35 s",1.47,492.08253,"Rosigltazone","C18H19N3O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2809369.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3157477.0,4644041.0,3196124.75,3077897.75,3503981.5,2139004.75,5367694.0,2009195.5,2976532.75,4548657.0,2096139.0 "425.10202 Da 87.39 s",1.46,424.09474,"Valdecoxib","C16H14N2O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5101271.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3898950.5,5862107.5,6308256.5,5120864.5,5415230.0,5485594.5,4588109.0,4908829.5,5279956.5,4778632.0,4989950.5 "448.17291 Da 89.24 s",1.49,447.16563,"Glucobrassicin","C16H20N2O9S2",3947110.75,3543541.5,2793234.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3510692.5,4007561.5,0.0,0.0,5819341.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4376749.0,7783507.0,3299127.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41167 Da 89.60 s",1.49,409.40439,"Squalene","C30H50",0.0,738982.9375,348786.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "330.14182 Da 91.57 s",1.53,329.13455,"Deoxyadenosine","C10H13N5O3",0.0,0.0,0.0,0.0,0.0,0.0,1267259.25,1890337.75,919029.25,1471059.375,1642070.875,1978157.0,0.0,0.0,0.0,0.0,0.0,0.0,1067166.25,1247583.25,0.0,0.0,1308402.625,1630923.625,1738788.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "780.33134 Da 92.85 s",1.55,779.32406,"Heptanoic acid","C7H14O2",571023.8125,726390.9375,555546.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,492725.65625,593840.5,0.0,0.0,787388.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,406973.40625,1072488.25,1063764.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "780.33173 Da 92.78 s",1.55,779.32446,"(1R,3aS,5aR,5bR,11aR,13aR)-7-hydroxy-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid","C30H46O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1733072.5,1486511.25,1389393.0,932165.3125,1760418.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "330.14245 Da 91.96 s",1.53,329.13518,"1,7-bis(3,4-dihydroxyphenyl)heptan-3-one","C19H22O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2019280.25,0.0,1206916.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "448.17325 Da 93.09 s",1.55,447.16597,"Phosphatidylcholine alkyl 18:2-16:0","C42H82NO7P",5220533.5,5950180.0,7353303.5,0.0,1010320.875,0.0,870955.3125,1330971.875,921785.6875,638241.625,748942.5,818724.4375,0.0,5115664.5,4923457.0,0.0,0.0,6986336.5,999754.5,0.0,0.0,1102779.25,650737.625,0.0,677234.125,0.0,4376930.5,9580321.0,4031729.25,0.0,0.0,1601499.375,0.0,0.0,1250471.875,0.0 "397.39963 Da 92.90 s",1.55,396.39235,"Hexacosanoic acid","C26H52O2",0.0,0.0,366305.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "629.53078 Da 92.30 s",1.54,628.52350,"Corticosterone","C21H30O4",0.0,381563.25,173623.984375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "294.18285 Da 94.20 s",1.57,293.17557,"Citrinin","C13H14O5",629286.4375,907008.5625,1062766.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,711117.6875,1082923.125,0.0,0.0,926857.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,793468.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25565 Da 96.79 s",1.61,269.24838,"5-Hydroxyindoleacetic acid","C10H9NO3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,347173.75,255054.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36542 Da 97.88 s",1.63,367.35814,"Lignoceric acid","C24H48O2",8753879.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,602507.4375,280314.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,273685.0,234610.359375,492680.34375,0.0,0.0,0.0,0.0,1333035.625,0.0,0.0,0.0,887207.375,676147.0,0.0,0.0,0.0,0.0 "375.25198 Da 100.81 s",1.68,420.24993,"Hetisine","C20H27NO3",0.0,0.0,0.0,0.0,0.0,0.0,949658.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "280.24008 Da 102.94 s",1.72,279.23280,"Acetaminophen glucuronide","C14H17NO8",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,551238.125,660633.1875,928922.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,235976.375,178347.078125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "338.13996 Da 111.89 s",1.86,337.13269,"10-hydroxycamptothecin","C20H16N2O5",2984853.5,2658197.75,4213385.0,0.0,0.0,2040393.0,0.0,0.0,1732396.625,2547663.0,1876613.875,1788568.625,1549671.75,2419696.0,2628781.25,2216298.5,1807547.5,3637279.75,0.0,1652370.625,0.0,2670551.0,2293252.0,0.0,2274899.0,2417389.5,2345546.25,4658285.5,3229683.75,1991817.125,1385439.75,1821983.75,1400262.0,0.0,2211499.25,1740288.5 "410.41172 Da 110.33 s",1.84,409.40444,"Squalene","C30H50",0.0,0.0,446092.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,213914.578125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20406 Da 112.04 s",1.87,341.19678,"Zardaverine","C12H10F2N2O3",0.0,445816.21875,0.0,728646.25,0.0,0.0,0.0,225073.71875,447295.6875,100198.5,0.0,0.0,0.0,0.0,0.0,477321.4375,0.0,0.0,0.0,0.0,0.0,196286.390625,0.0,0.0,631199.125,0.0,0.0,379224.5,0.0,210316.953125,308003.3125,378098.09375,0.0,371168.71875,0.0,0.0 "266.15519 Da 112.95 s",1.88,265.14792,"C12-AS (TENTATIVE)","C12H26O4S",4340106.5,2359380.25,3309922.5,0.0,2215395.25,2045358.625,5224853.5,3323035.25,2403127.75,1222446.625,1771422.5,1767063.625,1765888.625,2501758.75,1826953.625,2799700.25,5588667.5,2611864.5,1286999.75,1197530.875,1980572.375,1491492.25,1870302.75,1798718.5,1529679.75,2486347.75,2521455.0,4872467.0,1744411.25,1743315.0,1724357.125,1740140.0,2253243.5,1682051.625,1642300.875,1047519.625 "266.15515 Da 112.72 s",1.88,265.14787,"[(1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate","C17H22O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,892291.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36561 Da 113.70 s",1.89,367.35833,"Lignoceric acid","C24H48O2",8334186.0,6758519.0,4462066.0,0.0,0.0,0.0,0.0,829316.75,0.0,0.0,0.0,0.0,0.0,2424568.75,3833156.0,0.0,0.0,0.0,0.0,386015.0625,0.0,1062360.375,0.0,252133.296875,237805.953125,2730184.0,0.0,0.0,0.0,1222677.25,0.0,700926.875,0.0,452443.96875,0.0,0.0 "386.18550 Da 115.60 s",1.93,431.18399,"Digoxin","C41H64O14",3.6997004E7,3.227003E7,5.3964084E7,0.0,1054719.125,1420408.375,1895108.625,2196240.0,1191995.375,3683329.25,4022035.25,3039125.0,1835422.625,4.15868E7,3.2433578E7,1506187.5,1335833.75,5.186736E7,1696038.0,1863988.625,884815.875,3265325.0,3975637.25,1802333.25,3956180.75,1285808.625,2.9565608E7,6.2667312E7,2.9782984E7,1505787.125,1441398.125,3365558.5,1626313.25,2183949.75,2944157.25,2732756.25 "449.18118 Da 114.99 s",1.92,448.17390,"1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone","C13H16O2",1883919.25,1587471.0,2322616.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2157946.25,1008429.0625,0.0,0.0,1919087.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1843101.125,2074145.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.52742 Da 114.57 s",1.91,639.52015,"Estrone","C18H22O2",0.0,1826056.875,0.0,0.0,0.0,360954.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1962743.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1182961.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36851 Da 117.34 s",1.96,368.36124,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1135531.125,468801.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,311521.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41246 Da 124.63 s",2.08,409.40519,"Squalene","C30H50",0.0,106356.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36839 Da 123.99 s",2.07,368.36112,"Docosyl acetate","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,541724.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.37093 Da 128.46 s",2.14,425.36365,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",231119.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "254.22508 Da 134.79 s",2.25,253.21780,"2,4,5-Trichlorophenoxyacetate","C8H5Cl3O3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,614408.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,272114.0,0.0,0.0,2235236.5,2073967.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "268.24026 Da 135.35 s",2.26,267.23298,"Chenodeoxycholic acid","C24H40O4",0.0,0.0,1565649.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,585532.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20391 Da 135.40 s",2.26,341.19664,"Zardaverine","C12H10F2N2O3",0.0,0.0,0.0,690824.875,0.0,0.0,373491.375,0.0,360130.4375,306101.84375,465875.78125,0.0,251036.671875,0.0,0.0,403951.71875,132588.03125,0.0,0.0,447372.21875,0.0,0.0,0.0,0.0,0.0,0.0,344911.8125,254466.328125,0.0,0.0,283682.09375,537685.6875,0.0,0.0,267879.5625,0.0 "410.41144 Da 135.77 s",2.26,409.40416,"Squalene","C30H50",472786.9375,184067.515625,249178.703125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.52701 Da 136.35 s",2.27,639.51974,"Azadirachtin","C35H44O16",2273843.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,245015.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,369859.59375,244459.328125,0.0,0.0,0.0,0.0,0.0 "312.17585 Da 136.35 s",2.27,311.16857,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,838882.25,592295.25,2117892.0,1179713.5,1162697.875,0.0,0.0,0.0,869069.6875,0.0,0.0,0.0,666568.6875,0.0,0.0,0.0,0.0,1069194.0,0.0,0.0,357845.03125,0.0,0.0,619245.125,0.0,0.0,0.0,584479.8125,608421.375,0.0,0.0,0.0 "285.27470 Da 137.36 s",2.29,284.26743,"Stearic acid","C18H36O2",1945867.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,177539.125,634167.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20385 Da 146.28 s",2.44,341.19658,"9-Phenanthrenol","C14H10O",0.0,246368.21875,0.0,0.0,138386.4375,0.0,0.0,782095.5,0.0,0.0,0.0,255890.40625,0.0,0.0,0.0,404424.875,0.0,0.0,216389.828125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,571674.4375,247265.015625,0.0 "312.17602 Da 147.99 s",2.47,311.16875,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,1702925.125,976451.875,1038760.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1141165.25,0.0,0.0,0.0 "426.36973 Da 149.84 s",2.50,425.36245,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",167100.296875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "298.25071 Da 154.63 s",2.58,297.24344,"Octadecanedioic acid","C18H34O4",0.0,490149.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39607 Da 158.07 s",2.63,395.38880,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,721104.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,613352.3125,613531.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,329079.5625,744568.8125,266696.875,0.0,0.0,0.0,0.0,0.0 "340.33401 Da 160.57 s",2.68,339.32673,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,323324.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,344315.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20391 Da 160.99 s",2.68,341.19663,"9-Phenanthrenol","C14H10O",0.0,0.0,0.0,408716.0625,259450.34375,0.0,555200.75,0.0,0.0,0.0,0.0,0.0,299130.5,0.0,0.0,0.0,0.0,0.0,0.0,577247.875,0.0,0.0,0.0,0.0,0.0,0.0,213285.640625,0.0,0.0,0.0,0.0,367142.5,0.0,584274.625,0.0,0.0 "389.16265 Da 166.55 s",2.78,388.15537,"TES","C6H15NO6S",1356796.625,1005816.6875,1123684.625,0.0,1315101.75,951714.8125,1108414.125,1199100.625,934070.0625,1274340.625,1001828.3125,1458929.125,1375079.25,1348973.625,671750.9375,781040.0625,1442373.875,1130315.875,939373.625,1135685.5,792719.6875,1521977.25,1348294.625,932534.4375,1293896.0,827135.0,1261395.5,1546489.875,973864.5,1208386.0,911753.375,1064686.5,1210231.125,982468.0625,778486.25,1030744.75 "270.25522 Da 166.85 s",2.78,269.24794,"Heptadecanoic acid","C17H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1675641.75,663595.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "610.48058 Da 172.28 s",2.87,609.47331,"NCGC00347571-02_C27H40O4_(3beta,5alpha,8xi,14xi,25S)-3-Hydroxyspirost-9(11)-en-12-one","C27H40O4",951440.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39623 Da 173.21 s",2.89,395.38896,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1110548.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "539.32258 Da 174.67 s",2.91,538.31531,"LPC 16:1","C24H48NO7P",0.0,1040306.6875,823660.0,0.0,1551638.875,1647180.375,1410902.25,1770496.25,1368283.375,1874824.625,1849172.5,1614503.0,1159443.75,1178453.0,831551.6875,1889561.25,1847109.625,1181193.0,1386528.875,1478850.0,1398884.75,1190480.875,1274484.0,1433738.375,1138425.375,1135945.25,1156936.25,1951588.375,1148111.625,1747999.125,1358354.625,1625328.375,1269789.625,1344107.375,1214607.25,1457071.625 "326.19144 Da 173.51 s",2.89,325.18416,"Methylgallate","C8H8O5",1118314.875,825908.875,869029.3125,0.0,985452.875,1076022.5,2526513.0,1308569.75,1549426.125,635858.4375,1125806.375,713667.0625,1006477.9375,304357.96875,0.0,508281.6875,658292.375,0.0,709070.75,0.0,0.0,941667.625,0.0,907986.3125,850003.8125,319527.90625,0.0,644833.1875,411136.71875,738567.0625,978052.0625,583193.125,1256742.75,420243.28125,0.0,687002.4375 "384.32414 Da 175.72 s",2.93,383.31686,"m-Coumaric acid","C9H8O3",0.0,364696.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "254.22469 Da 177.30 s",2.96,253.21741,"5-[1,2,4a-trimethyl-5-(3-methylbutanoyloxymethyl)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid","C25H42O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,655076.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,346037.5,0.0,0.0,0.0,0.0,0.0,0.0,377005.34375,0.0,0.0,0.0,0.0 "389.16264 Da 177.09 s",2.95,388.15537,"Theophylline","C7H8N4O2",1687147.625,1271090.25,1520574.125,0.0,1717679.0,1700310.25,1943153.875,2189264.75,2155888.25,1994229.875,1774930.875,2150702.25,1596142.75,1791970.125,1839852.0,1834725.875,2240864.0,2024443.625,2173597.75,1880644.375,1277558.0,1886854.0,2349446.5,1851526.875,2602331.0,2291673.5,1084572.25,2059112.625,1158806.5,1749177.75,1655745.875,1944901.5,1538434.875,1747338.875,1705163.75,1460152.25 "640.52647 Da 177.83 s",2.96,639.51920,"4-Hydroxy-6-Methylpyran-2-One","C6H6O3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,284735.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20436 Da 176.41 s",2.94,341.19709,"Zardaverine","C12H10F2N2O3",0.0,0.0,0.0,0.0,0.0,187161.65625,367009.28125,0.0,277224.40625,0.0,0.0,311590.875,0.0,0.0,0.0,377600.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,676154.5625,0.0,141611.453125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25603 Da 177.04 s",2.95,281.24876,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1403889.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1811551.375,0.0,0.0,799280.625,0.0,0.0,0.0,1998735.625,0.0,2048106.375,0.0,0.0,0.0,0.0,1628419.5,0.0,0.0 "340.33406 Da 178.89 s",2.98,339.32678,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,551276.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25523 Da 179.35 s",2.99,269.24795,"Chlordiazepoxide","C16H14ClN3O",0.0,0.0,0.0,0.0,848002.5,0.0,232420.796875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,455171.8125,0.0,0.0,0.0,0.0,0.0,0.0 "539.32339 Da 179.78 s",3.00,538.31612,"LPC 16:1","C24H48NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,798811.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.21947 Da 179.87 s",3.00,269.21220,"Nicotinamide ribotide","C11H15N2O8P",0.0,951792.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,620799.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,982580.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "326.19129 Da 181.97 s",3.03,325.18402,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,826479.5,0.0,1500214.75,1687549.25,1873720.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,644662.9375,0.0,0.0,0.0,852176.4375,1009546.3125,0.0,0.0,0.0 "366.34977 Da 183.70 s",3.06,365.34249,"Nervonic acid","C24H46O2",0.0,367900.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39636 Da 183.87 s",3.06,395.38908,"Hexacosanoic acid","C26H52O2",0.0,0.0,1548182.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,776848.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,551297.25,0.0,0.0,0.0,0.0,0.0,0.0 "368.36477 Da 185.53 s",3.09,367.35750,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,266320.4375,0.0,0.0,0.0,0.0 "342.20442 Da 186.92 s",3.12,341.19715,"Zardaverine","C12H10F2N2O3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,208312.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,218078.5625,0.0,349786.5625,0.0,0.0,0.0,0.0,516326.65625,0.0,0.0,0.0,0.0,0.0 "398.33911 Da 188.59 s",3.14,397.33183,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,69490.609375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33346 Da 189.41 s",3.16,339.32618,"Behenic acid","C22H44O2",0.0,1884819.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,370189.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36526 Da 192.85 s",3.21,367.35798,"Lignoceric acid","C24H48O2",8516481.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,502922.78125,0.0,135042.4375,167940.921875,0.0,4525159.5,0.0,0.0,0.0,0.0,0.0,512765.3125,421220.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1127439.375,353031.625,0.0,0.0,0.0,0.0 "326.19133 Da 192.96 s",3.22,325.18406,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,1785149.25,1320270.0,1398752.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1592707.25,0.0,0.0,0.0 "396.39578 Da 196.57 s",3.28,395.38850,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,614370.125,0.0,270916.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,841882.0,668479.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20411 Da 196.73 s",3.28,341.19683,"Inosine","C10H12N4O5",170980.21875,462411.15625,0.0,0.0,0.0,0.0,571568.5,0.0,225532.171875,0.0,0.0,0.0,0.0,194586.09375,0.0,262965.25,0.0,180302.59375,0.0,0.0,0.0,0.0,0.0,511498.0625,0.0,0.0,0.0,269735.03125,0.0,0.0,0.0,0.0,0.0,186893.703125,350873.9375,0.0 "638.51190 Da 198.26 s",3.30,637.50462,"Androsta-1,4-Dien-3,17-Dione","C19H24O2",0.0,0.0,0.0,201096.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,455554.5,296903.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25591 Da 199.03 s",3.32,281.24863,"Vaccenic acid","C18H34O2",0.0,0.0,5739747.0,0.0,0.0,0.0,0.0,0.0,0.0,1529545.5,0.0,0.0,0.0,3078646.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1181417.25,0.0,0.0,0.0,0.0,0.0 "366.34930 Da 199.05 s",3.32,365.34202,"Nervonic acid","C24H46O2",615315.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "501.28571 Da 201.38 s",3.36,500.27843,"LPE 20:4","C25H44NO7P",0.0,1176754.875,822752.0,0.0,1233521.875,1173859.625,1897986.625,1570501.875,1511746.75,2267029.5,1391627.25,1797565.375,1567532.5,1188495.625,1357286.875,897851.375,1442900.125,1327957.125,1006928.0,1493063.0,1361541.125,1419658.5,1600617.0,1154546.375,1423147.625,1071196.375,0.0,953580.9375,1072030.875,877021.25,1089538.875,1280810.75,1543087.875,1209055.625,838305.8125,1076503.5 "501.28575 Da 202.90 s",3.38,500.27847,"Fexofenadine","C32H39NO4",0.0,0.0,0.0,0.0,0.0,0.0,2094127.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "300.26624 Da 203.79 s",3.40,299.25896,"(R)-2-hydroxystearic acid","C18H36O3",1568989.5,1629559.75,2162559.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1440715.0,0.0,0.0,0.0,941670.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1303327.5,1490142.125,854157.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.37063 Da 206.34 s",3.44,425.36336,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",221719.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "384.32378 Da 206.22 s",3.44,383.31650,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",575113.4375,0.0,229494.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "670.57417 Da 206.63 s",3.44,669.56689,"Stearic acid","C18H36O2",0.0,742115.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,770256.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36505 Da 207.20 s",3.45,367.35777,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,405726.4375,0.0,0.0,0.0,0.0,0.0,1555307.5,0.0,1218903.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39611 Da 211.48 s",3.52,395.38884,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,677309.4375,0.0,510335.4375,0.0,373937.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,308133.8125,486910.8125,0.0,0.0,0.0,0.0,0.0,0.0,1617619.5,0.0,1329598.0,925342.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "308.27189 Da 212.92 s",3.55,307.26462,"8,11,14-Eicosatrienoic acid","C20H34O2",0.0,572449.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.37104 Da 214.90 s",3.58,425.36377,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",265985.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "298.25070 Da 215.26 s",3.59,297.24342,"(9Z,12R)-12-Hydroxyoctadec-9-enoic acid","C18H34O3",0.0,0.0,0.0,0.0,0.0,0.0,1010677.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,808394.875,0.0,0.0,903981.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1318519.125,1434522.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "285.27525 Da 218.40 s",3.64,284.26798,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,270554.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30259 Da 221.41 s",3.69,311.29531,"Methylgallate","C8H8O5",0.0,0.0,396043.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36527 Da 223.02 s",3.72,367.35799,"Lignoceric acid","C24H48O2",5359643.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,405098.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,221475.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.20741 Da 226.18 s",3.77,339.20013,"Methylgallate","C8H8O5",0.0,757378.5625,0.0,0.0,890026.25,563593.1875,2333619.5,772164.625,968278.9375,571108.8125,726927.125,468997.46875,704564.375,0.0,0.0,0.0,681717.8125,0.0,0.0,0.0,0.0,612346.0,621838.75,0.0,449903.71875,0.0,0.0,0.0,0.0,0.0,0.0,587665.9375,680472.0625,690592.625,0.0,0.0 "396.39576 Da 225.50 s",3.76,395.38848,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,425526.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30217 Da 226.37 s",3.77,311.29490,"Methylgallate","C8H8O5",0.0,0.0,584881.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "384.32317 Da 226.43 s",3.77,383.31590,"m-Xylene-4-sulfonic acid","C8H10O3S",0.0,304900.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.20713 Da 229.10 s",3.82,339.19985,"Methylgallate","C8H8O5",0.0,0.0,624344.75,0.0,0.0,0.0,1530639.625,0.0,0.0,0.0,0.0,0.0,0.0,570925.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,719788.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "280.24011 Da 229.98 s",3.83,279.23283,"Linoleic acid","C18H32O2",1142591.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,644946.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,253860.234375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36858 Da 230.73 s",3.85,368.36130,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,193945.953125,293312.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39649 Da 233.38 s",3.89,395.38921,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,1039784.875,426349.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,710715.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,469670.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25581 Da 235.84 s",3.93,281.24854,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1492409.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1836985.0,1757587.25,0.0,0.0,0.0,0.0,0.0,0.0,1906584.0,0.0,0.0,0.0,0.0,0.0,0.0,718990.0,0.0 "342.20400 Da 238.11 s",3.97,341.19672,"Zardaverine","C12H10F2N2O3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,359906.71875,0.0,329600.3125,0.0,0.0,442543.4375,0.0,0.0,0.0,190375.3125,546470.0625,0.0,212590.578125,0.0,0.0,0.0,239632.359375,0.0,0.0,477882.15625,0.0,0.0,213741.25,0.0,0.0,0.0,0.0,0.0 "368.36501 Da 238.62 s",3.98,367.35774,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,891150.75,299610.5625,0.0,0.0,0.0,4538081.5,2158690.5,0.0,0.0,0.0,0.0,0.0,0.0,705310.5,0.0,250043.6875,0.0,2985962.25,0.0,0.0,0.0,0.0,0.0,404675.46875,267175.65625,240798.15625,0.0,0.0 "600.49591 Da 240.52 s",4.01,599.48864,"[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate","C27H24O18",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1009116.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,192641.265625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "580.23518 Da 240.65 s",4.01,579.22790,"Naringin","C27H32O14",796174.0,1040272.0625,1477487.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1069115.0,936542.1875,0.0,0.0,1434923.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,793555.625,1560991.25,893231.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39640 Da 240.62 s",4.01,395.38912,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,562237.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.52698 Da 241.71 s",4.03,639.51970,"[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","C21H22O10",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,285757.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51167 Da 243.31 s",4.06,613.50440,"Stearic acid","C18H36O2",0.0,0.0,1319636.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,299518.125,0.0,0.0,0.0,0.0,0.0,0.0,598686.375,533203.625,598878.8125,0.0,0.0,0.0,0.0,0.0 "354.34976 Da 244.94 s",4.08,353.34249,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,315431.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36461 Da 245.65 s",4.09,367.35733,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1353845.5,0.0,302225.3125,0.0,0.0,0.0,0.0 "369.36809 Da 246.21 s",4.10,368.36081,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,312735.3125,322619.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "580.23544 Da 250.71 s",4.18,579.22817,"Naringin","C27H32O14",1421339.5,0.0,764307.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1316138.5,1097030.125,0.0,0.0,692946.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,980366.25,836069.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "654.30834 Da 253.79 s",4.23,653.30107,"Coproporphyrin I","C36H38N4O8",2130816.25,1804600.125,2480559.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1724251.5,1478532.625,0.0,0.0,2431379.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1144955.5,2829108.75,1568402.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "654.30866 Da 253.90 s",4.23,653.30138,"Coproporphyrin I","C36H38N4O8",1224665.5,1399560.375,1697744.375,0.0,1264684.0,1470572.75,1533417.625,1763053.375,1880079.5,1996089.75,1878607.875,1342529.625,1248976.75,1447914.375,1327775.125,1561427.5,1929908.5,1420689.75,1770542.75,1681558.25,1170097.75,0.0,1744835.125,1308094.75,1606788.0,1370291.75,1171851.625,2123073.5,1276590.625,990498.8125,1303905.625,1080031.125,1115853.5,1422647.875,0.0,0.0 "342.20437 Da 255.88 s",4.26,341.19709,"Zardaverine","C12H10F2N2O3",312970.84375,0.0,0.0,0.0,0.0,0.0,249761.421875,0.0,453175.03125,0.0,248376.5625,0.0,0.0,236814.28125,0.0,0.0,0.0,0.0,692508.375,0.0,181885.28125,0.0,0.0,0.0,0.0,0.0,0.0,390423.28125,588692.75,0.0,0.0,0.0,0.0,0.0,0.0,191598.765625 "368.36552 Da 256.85 s",4.28,367.35825,"Cortexolone","C21H30O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,659048.875,587724.8125,568377.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,468549.78125,0.0,0.0,0.0,0.0,0.0,0.0,2592193.75,0.0,1301755.875,0.0,0.0,0.0,452498.75,0.0,0.0,0.0 "340.20744 Da 258.51 s",4.31,339.20016,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,1297686.625,1171020.0,1446575.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "615.51521 Da 258.46 s",4.31,614.50793,"Levocetirizine","C21H25ClN2O3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,164289.078125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25574 Da 260.35 s",4.34,281.24847,"Imipramine","C19H24N2",5164887.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1495808.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2236205.75,2234957.0,0.0,0.0,0.0,0.0,0.0,0.0 "298.25058 Da 260.61 s",4.34,297.24330,"Phosphatidylethanolamine lyso 18:2","C23H44NO7P",874336.9375,1246760.0,1371449.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1024637.0625,876949.3125,0.0,0.0,966663.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,858558.0,1656478.5,1408875.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39604 Da 266.69 s",4.44,395.38876,"Hexacosanoic acid","C26H52O2",2222304.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,986191.875,308167.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,521097.875,517348.5625,0.0,0.0,0.0,0.0,0.0 "314.24539 Da 267.13 s",4.45,313.23811,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1780400.625,1353723.375,1230112.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1555227.125,1248885.375,0.0,0.0,1527007.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1602671.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36832 Da 266.71 s",4.45,368.36104,"Lignoceric acid","C24H48O2",0.0,0.0,897184.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33921 Da 267.16 s",4.45,397.33193,"Ethyldodecanoate","C14H28O2",0.0,432388.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51168 Da 267.50 s",4.46,613.50441,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",2049042.0,0.0,0.0,0.0,0.0,405927.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,452685.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,153476.921875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36520 Da 270.54 s",4.51,367.35792,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,412053.6875,1017504.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,147455.53125,0.0,0.0,0.0,0.0 "354.35062 Da 271.56 s",4.53,353.34335,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,302114.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "384.32352 Da 271.75 s",4.53,383.31624,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,446805.625,537761.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20419 Da 271.76 s",4.53,341.19691,"Inosine","C10H12N4O5",0.0,0.0,0.0,687275.8125,0.0,0.0,0.0,0.0,0.0,0.0,249968.125,304578.28125,338854.3125,0.0,0.0,0.0,0.0,0.0,0.0,480112.75,0.0,0.0,0.0,339473.59375,0.0,509232.6875,122831.0859375,0.0,0.0,0.0,245618.21875,0.0,0.0,0.0,0.0,0.0 "967.00883 Da 271.76 s",4.53,966.00155,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,331357.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "666.54259 Da 273.06 s",4.55,665.53531,"2-Amino-3-phosphonopropionic acid","C3H8NO5P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,895747.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,452202.90625,0.0,185608.515625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "300.26634 Da 276.36 s",4.61,299.25906,"(R)-2-hydroxystearic acid","C18H36O3",518584.90625,0.0,849550.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,879303.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1291252.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.54189 Da 281.16 s",4.69,641.53461,"Irigenin, 7-Benzyl Ether","C25H22O8",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,477307.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36527 Da 282.44 s",4.71,367.35800,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2661228.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,217304.53125,0.0,0.0,0.0,0.0,1199259.75,1122339.5,0.0,0.0,0.0,0.0,0.0 "410.41195 Da 283.67 s",4.73,409.40467,"Squalene","C30H50",0.0,345003.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,239046.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28653 Da 284.39 s",4.74,309.27925,"Mestranol","C21H26O2",0.0,0.0,319590.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "338.31793 Da 285.94 s",4.77,337.31065,"Erucic acid","C22H42O2",305770.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20431 Da 286.67 s",4.78,341.19704,"9-Phenanthrenol","C14H10O",0.0,261467.890625,0.0,0.0,0.0,396807.9375,0.0,0.0,0.0,0.0,0.0,0.0,225765.921875,0.0,0.0,226036.140625,0.0,381956.28125,0.0,286977.78125,0.0,0.0,0.0,0.0,310249.28125,0.0,134541.90625,0.0,0.0,0.0,0.0,471408.90625,0.0,0.0,0.0,0.0 "284.27143 Da 286.48 s",4.77,283.26416,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,1497188.875,0.0,0.0,0.0,1790963.0,0.0,0.0,0.0,0.0,4421051.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "967.00781 Da 286.79 s",4.78,966.00054,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,143660.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33329 Da 286.94 s",4.78,339.32602,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,456264.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,727982.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39610 Da 287.58 s",4.79,395.38882,"Hexacosanoic acid","C26H52O2",0.0,0.0,1536141.5,0.0,970020.5,0.0,267801.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,353210.71875,321148.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,693197.125,487899.03125,659887.5625,0.0,0.0,0.0,0.0,0.0 "354.34959 Da 288.32 s",4.81,353.34231,"Tricosanoic acid","C23H46O2",0.0,1146797.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41168 Da 295.03 s",4.92,409.40440,"Squalene","C30H50",567663.5625,432248.0,173153.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "394.38012 Da 295.58 s",4.93,393.37285,"Hederagenin","C30H48O4",411954.4375,243217.484375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "698.29801 Da 296.21 s",4.94,697.29073,"3-[(3S,5S,8R,10S,13R,14S,17R)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","C35H54O14",2570316.0,2252287.25,3157994.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2560795.5,1791944.875,0.0,0.0,3294496.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1877150.875,3709007.0,1789208.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33870 Da 297.46 s",4.96,397.33142,"1,11-Undecanedicarboxylic acid","C13H24O4",0.0,0.0,389643.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "666.54257 Da 297.86 s",4.96,665.53530,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,238719.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20418 Da 297.94 s",4.97,341.19690,"Zardaverine","C12H10F2N2O3",234705.578125,333988.96875,0.0,0.0,0.0,0.0,497039.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,261324.921875,0.0,0.0,478370.0,0.0,0.0,265608.5625,0.0 "366.34927 Da 300.79 s",5.01,365.34199,"Nervonic acid","C24H46O2",0.0,300865.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "283.26033 Da 303.16 s",5.05,282.25306,"Salbutamol","C13H21NO3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,489136.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36539 Da 303.93 s",5.07,367.35811,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,535501.75,535636.875,0.0,0.0,0.0,0.0,0.0,3770318.5,0.0,0.0,0.0,0.0,495187.03125,0.0,0.0,0.0,0.0,0.0,0.0,1423347.625,0.0,0.0,0.0,0.0,823240.875,275100.96875,0.0,0.0,0.0 "254.22456 Da 305.21 s",5.09,253.21729,"Palmitoleic acid","C16H30O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,448019.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,313753.9375,0.0,591674.9375,0.0,0.0,0.0,0.0,1488404.625,0.0,0.0,0.0,0.0,529404.9375,0.0 "671.57751 Da 305.84 s",5.10,670.57024,"Chrysin","C15H10O4",281864.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36839 Da 307.25 s",5.12,368.36112,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,206370.0,332915.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30262 Da 307.95 s",5.13,311.29534,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,279297.65625,425359.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28631 Da 308.88 s",5.15,309.27903,"Flubendazole","C16H12FN3O3",0.0,0.0,316058.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "479.30136 Da 311.57 s",5.19,478.29408,"LPE 18:1","C23H46NO7P",0.0,994404.9375,1138800.75,0.0,1837011.5,2432889.5,1615748.625,1778921.625,1790935.625,2335040.5,2191363.25,1509320.625,1958246.0,1630552.625,1435373.75,2194443.0,3066176.0,1725058.5,1310266.875,1508949.0,1319503.5,1355202.75,1820428.5,1494883.5,1976439.375,2652535.75,1154485.125,1485092.875,1860186.125,1921176.75,2134880.25,2747348.5,2108625.5,1982593.125,1384570.0,1616704.625 "479.30225 Da 309.62 s",5.16,478.29498,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1678594.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33363 Da 311.57 s",5.19,339.32636,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,211879.515625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,243852.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25617 Da 315.09 s",5.25,281.24890,"5-Methoxytryptamine","C11H14N2O",5731395.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1507523.75,0.0,1459142.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,671251.4375 "667.54611 Da 317.59 s",5.29,666.53883,"S4:16(P3:14/F1:2)","C28H46O15",0.0,265836.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "298.25056 Da 322.29 s",5.37,297.24328,"(9Z,12R)-12-Hydroxyoctadec-9-enoic acid","C18H34O3",0.0,918540.875,783566.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1360182.25,1243180.5,0.0,0.0,1590730.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1422023.0,899552.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "525.30647 Da 319.75 s",5.33,524.29920,"LPS 18:0","C24H48NO9P",0.0,0.0,0.0,0.0,1098009.625,1432724.125,870229.0625,1022874.8125,1451895.5,1587891.0,1476127.625,1563590.625,1266355.375,0.0,0.0,1063947.75,1786934.5,0.0,1393549.375,1372433.625,1046843.0625,0.0,1122419.375,1139776.625,1083142.625,1151719.75,0.0,0.0,0.0,766122.0625,879944.6875,1079269.875,1128328.875,1332842.625,0.0,866513.0 "342.20398 Da 320.59 s",5.34,341.19671,"4-Aminohippuric acid","C9H10N2O3",0.0,0.0,0.0,372365.3125,0.0,0.0,274378.6875,0.0,249522.640625,0.0,0.0,0.0,0.0,0.0,166312.765625,0.0,0.0,241368.09375,0.0,567386.1875,0.0,0.0,0.0,0.0,280693.90625,0.0,0.0,496248.4375,409734.25,0.0,358865.15625,0.0,0.0,0.0,523591.21875,638405.6875 "368.36500 Da 321.51 s",5.36,367.35773,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,370348.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,381828.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "394.38092 Da 320.81 s",5.35,393.37364,"Hederagenin","C30H48O4",348161.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "612.49648 Da 321.24 s",5.35,611.48921,"Pregnenolone sulfate","C21H32O5S",2107679.5,0.0,0.0,0.0,0.0,521754.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,952669.5,0.0,0.0,0.0,0.0,554291.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41124 Da 321.73 s",5.36,409.40396,"Squalene","C30H50",0.0,295091.90625,214078.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34970 Da 322.21 s",5.37,365.34243,"Nervonic acid","C24H46O2",0.0,312339.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "698.29817 Da 324.79 s",5.41,697.29090,"3-[(3S,5S,8R,10S,13R,14S,17R)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","C35H54O14",1374437.125,874494.625,1260664.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,841240.6875,905720.875,0.0,0.0,1484722.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1129702.0,1623494.875,932390.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "654.54300 Da 329.39 s",5.49,653.53572,"Coproporphyrin I","C36H38N4O8",566368.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,478610.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36523 Da 330.55 s",5.51,367.35796,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,606992.625,548776.4375,350125.25,0.0,2737293.0,0.0,2006812.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1300755.375,0.0,0.0,1038638.5625,295060.4375,0.0,0.0,0.0 "398.33903 Da 334.77 s",5.58,397.33176,"1,11-Undecanedicarboxylic acid","C13H24O4",0.0,0.0,296524.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30257 Da 333.21 s",5.55,311.29529,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,352302.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39585 Da 335.20 s",5.59,395.38858,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,316571.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,909234.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,618512.75,602858.0625,236669.6875,0.0,0.0,0.0,0.0,0.0 "342.20424 Da 338.50 s",5.64,341.19697,"Zardaverine","C12H10F2N2O3",0.0,282311.53125,0.0,0.0,105093.40625,0.0,0.0,333655.90625,0.0,329243.125,445447.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,330585.0,0.0,249025.234375,0.0,634772.5625,0.0,0.0,0.0,0.0,0.0,277913.5,0.0,0.0,207969.4375,0.0,0.0,375364.21875 "714.29357 Da 341.50 s",5.69,713.28629,"(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol","C31H44O12",875545.6875,1070823.5,1133757.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,772764.5625,888958.9375,0.0,0.0,1023099.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,826773.0,1463491.375,1135143.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.52764 Da 342.78 s",5.71,639.52037,"Azadirachtin","C35H44O16",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1055039.375,0.0,0.0,360612.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,327292.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33909 Da 343.51 s",5.73,397.33181,"Phosphatidylcholine 12:0-16:0 / 14:0-14:0","C72H144N2O16P2",0.0,0.0,355510.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,190830.578125,265846.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "412.35452 Da 345.15 s",5.75,411.34724,"Corticosterone","C21H30O4",139437.140625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "298.25089 Da 343.51 s",5.73,297.24362,"Linoleic acid","C18H32O2",0.0,593737.25,1053354.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,916193.1875,729401.6875,0.0,0.0,1267043.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1443296.25,1231042.75,1440526.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30241 Da 345.44 s",5.76,311.29514,"Arachidic acid","C20H40O2",0.0,0.0,470257.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36833 Da 345.77 s",5.76,368.36105,"Lignoceric acid","C24H48O2",0.0,0.0,904933.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,490078.625,143787.734375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41201 Da 345.83 s",5.76,409.40474,"Squalene","C30H50",515454.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "394.38078 Da 346.84 s",5.78,393.37351,"Hederagenin","C30H48O4",304807.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34933 Da 346.66 s",5.78,365.34205,"Nervonic acid","C24H46O2",640055.9375,398345.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36536 Da 348.15 s",5.80,367.35809,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,567980.875,0.0,368625.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,328943.875,0.0,0.0,0.0,0.0,0.0,0.0,1265587.75,1096049.625,476438.21875,0.0,0.0,160718.75,0.0 "396.39645 Da 350.53 s",5.84,395.38917,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,946451.375,861365.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,440579.65625,629218.375,0.0,0.0,0.0,0.0,0.0,0.0,1658860.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "304.20393 Da 349.19 s",5.82,303.19665,"Docosapentaenoic acid (DPA; cis-22:5n-3)","C22H34O2",5120157.5,4221428.5,7409316.0,1588458.125,7394223.0,7784643.0,9978182.0,8807605.0,9422221.0,1.099032E7,1.0561234E7,1.0249747E7,9169695.0,5586186.0,4560677.0,7316393.5,8598327.0,6920487.0,8826814.0,9426176.0,6321940.5,9119974.0,1.2173302E7,8655709.0,1.2780796E7,6927462.0,4493563.5,8453516.0,3694305.75,6160748.0,6795816.5,1.1034205E7,7044155.5,9802655.0,8655417.0,7419787.0 "612.49568 Da 354.40 s",5.91,611.48841,"1,11-Undecanedicarboxylic acid","C13H24O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,275294.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,242738.890625,0.0,0.0,0.0,0.0,0.0,0.0 "712.27643 Da 357.48 s",5.96,711.26915,"Syrosingopine","C35H42N2O11",1050464.0,1423854.25,1173313.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1092847.75,980676.375,0.0,0.0,1180772.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1209280.375,1532200.375,1135769.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20382 Da 358.80 s",5.98,341.19654,"Zardaverine","C12H10F2N2O3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,229694.265625,425604.96875,0.0,0.0,0.0,0.0,488091.375,0.0,677054.4375,338771.59375,455709.125,596493.4375,0.0,757127.8125,0.0,0.0,0.0,0.0,0.0,0.0,116163.0390625,216823.9375,454211.40625,0.0,0.0,0.0,533481.125 "652.36610 Da 362.37 s",6.04,651.35882,"Rofecoxib","C17H14O4S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1117649.125,871704.125,946684.6875,0.0,1270983.0,0.0,0.0 "366.34921 Da 362.38 s",6.04,365.34193,"Nervonic acid","C24H46O2",0.0,246307.609375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33901 Da 362.87 s",6.05,397.33173,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,395396.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "394.38087 Da 363.43 s",6.06,393.37360,"Hederagenin","C30H48O4",273562.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "296.19572 Da 365.07 s",6.08,295.18845,"(2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoic acid","C17H28O4",1818953.625,1537328.125,1412086.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1014104.4375,1642217.625,0.0,0.0,1339604.125,0.0,0.0,0.0,0.0,0.0,0.0,1304134.875,0.0,1395270.125,1598648.375,1771632.0,0.0,0.0,1198269.375,0.0,0.0,0.0,0.0 "368.36527 Da 364.81 s",6.08,367.35799,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,577811.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,954480.9375,0.0,0.0,0.0 "228.20914 Da 365.57 s",6.09,227.20186,"Ethyldodecanoate","C14H28O2",4838144.5,4252283.5,6714795.5,0.0,1990581.25,1340613.75,2045613.5,1261543.375,1324869.375,2237814.0,2015396.375,2121263.25,1550113.5,4777708.0,4885092.5,1382432.625,1721206.0,6106756.0,1084035.75,1985819.5,1240483.625,2049779.5,2273450.5,1890735.0,2632747.75,1795603.5,3781521.5,7877516.0,3232600.75,1745558.0,1723243.5,2449139.0,1741312.125,1510052.25,1958516.25,1768666.125 "228.20896 Da 364.61 s",6.08,227.20169,"Gramine","C11H14N2",1690850.375,1802858.75,3532411.5,0.0,1921309.0,0.0,0.0,0.0,0.0,0.0,0.0,1663477.25,0.0,2147950.25,2031382.625,0.0,0.0,2377482.75,0.0,0.0,0.0,0.0,1403299.375,0.0,1389423.75,1392543.0,2036694.5,3652344.75,1180707.0,0.0,0.0,2232886.25,0.0,0.0,0.0,0.0 "410.41185 Da 364.54 s",6.08,409.40458,"Squalene","C30H50",0.0,301512.0,326193.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36849 Da 364.71 s",6.08,368.36121,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,551233.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51151 Da 366.50 s",6.11,613.50423,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,430416.59375,354329.9375,137150.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,647294.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,417967.71875,0.0,0.0,0.0,0.0,0.0,0.0 "396.39645 Da 367.48 s",6.12,395.38918,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1293993.375,0.0,0.0,721184.125,355087.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,286000.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.52672 Da 367.73 s",6.13,639.51945,"Azadirachtin","C35H44O16",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,394777.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33424 Da 368.49 s",6.14,339.32697,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,265741.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20421 Da 373.66 s",6.23,341.19694,"Zardaverine","C12H10F2N2O3",0.0,0.0,0.0,323018.40625,0.0,0.0,0.0,297994.65625,0.0,0.0,0.0,284264.6875,243814.9375,0.0,0.0,0.0,0.0,275599.09375,0.0,414513.90625,0.0,0.0,0.0,0.0,0.0,160239.046875,0.0,351231.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,469036.90625 "340.33392 Da 374.58 s",6.24,339.32664,"Behenic acid","C22H44O2",0.0,1810409.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,647546.125,543020.5,415006.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "412.35499 Da 376.07 s",6.27,411.34771,"Corticosterone","C21H30O4",195052.390625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "612.49611 Da 380.12 s",6.34,611.48884,"1,11-Undecanedicarboxylic acid","C13H24O4",0.0,0.0,0.0,314722.0625,295470.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1698211.5,0.0,0.0,338091.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "298.25074 Da 382.43 s",6.37,297.24346,"(9Z,12R)-12-Hydroxyoctadec-9-enoic acid","C18H34O3",696331.1875,763268.125,1179371.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,902705.5625,1639277.25,0.0,0.0,1365126.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1640157.875,2127719.75,959626.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "652.36472 Da 385.80 s",6.43,651.35744,"Valdecoxib","C16H14N2O3S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,771700.6875,702043.9375,900599.375,0.0,1060559.0,0.0,0.0 "383.38396 Da 385.96 s",6.43,382.37668,"Milrinone","C12H9N3O",1081716.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,409561.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39647 Da 386.48 s",6.44,395.38920,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,157747.640625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,516109.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "268.23986 Da 388.68 s",6.48,267.23259,"methyl palmitoleate","C17H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,523967.53125,336377.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36523 Da 391.36 s",6.52,367.35795,"Lignoceric acid","C24H48O2",0.0,0.0,5504379.5,0.0,0.0,0.0,0.0,0.0,902867.0,589567.5625,340672.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2616236.25,0.0,0.0,0.0,0.0,282539.0625,0.0,0.0,0.0,0.0 "342.20420 Da 391.41 s",6.52,341.19692,"9-Phenanthrenol","C14H10O",0.0,0.0,0.0,0.0,0.0,0.0,224851.5625,234884.75,0.0,0.0,0.0,82502.0,308097.875,0.0,0.0,272491.5625,0.0,0.0,0.0,0.0,483891.03125,310593.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,290139.0625,0.0,0.0,0.0,0.0 "638.31350 Da 392.83 s",6.55,637.30622,"5-hydroxy-3-[(2S,3R,4R,5S)-3-hydroxy-5-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one","C32H38O19",1348273.75,1116015.0,2018191.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1831691.25,1491801.75,0.0,0.0,2163506.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1210217.125,2579084.75,1354462.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36542 Da 398.47 s",6.64,367.35815,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,543223.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,438052.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1311425.875,0.0,0.0,366002.75,409341.5625,0.0,0.0,0.0 "396.39589 Da 400.29 s",6.67,395.38862,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,794353.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,336814.03125,606731.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,770833.5,279028.1875,135099.0625,0.0,0.0,0.0,0.0,0.0,0.0 "652.29274 Da 402.21 s",6.70,697.29105,"Glucobrassicin","C16H20N2O9S2",1853639.125,1407221.75,1978879.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2170878.75,1511488.375,0.0,0.0,2305308.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1147849.25,2299399.75,1538684.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "448.14156 Da 401.88 s",6.70,447.13428,"Glucobrassicin","C16H20N2O9S2",1156993.25,0.0,874581.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1268539.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "448.14136 Da 402.66 s",6.71,447.13409,"Isosakuranin","C22H24O10",1384264.75,1236543.25,1152028.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,895269.875,939607.9375,0.0,0.0,1286432.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,688896.4375,1493703.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "448.14118 Da 402.93 s",6.72,447.13390,"Glucobrassicin","C16H20N2O9S2",1283650.75,542729.25,870804.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,842898.125,954927.25,0.0,0.0,852053.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1079788.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20429 Da 401.69 s",6.69,341.19702,"9-Phenanthrenol","C14H10O",0.0,334505.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,316730.25,0.0,0.0,0.0,0.0,0.0,397544.625,0.0,0.0,236895.890625,0.0,0.0,0.0,0.0,0.0,0.0,544413.5625,0.0,0.0,0.0,216966.921875,0.0,230759.5625,0.0 "640.52734 Da 403.90 s",6.73,639.52006,"Azadirachtin","C35H44O16",0.0,0.0,1324455.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33366 Da 406.85 s",6.78,339.32639,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,515337.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36537 Da 409.63 s",6.83,367.35809,"Lignoceric acid","C24H48O2",5246299.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3942647.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,303531.65625,0.0,0.0,2859525.0,0.0,0.0,0.0,0.0,0.0,0.0,217215.96875,0.0,0.0,0.0 "410.41231 Da 410.12 s",6.84,409.40503,"Squalene","C30H50",470847.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30265 Da 413.04 s",6.88,311.29537,"Arachidic acid","C20H40O2",0.0,0.0,489230.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "326.31743 Da 416.30 s",6.94,325.31016,"3-hydroxy-C14 homoserine lactone","C18H33NO4",264553.75,269422.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39602 Da 420.02 s",7.00,395.38874,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,417911.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,290263.375,0.0,0.0,0.0,0.0,0.0 "671.57787 Da 421.84 s",7.03,670.57059,"Dactinomycin","C62H86N12O16",419382.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20399 Da 422.22 s",7.04,341.19672,"4-Aminohippuric acid","C9H10N2O3",0.0,0.0,0.0,642206.625,0.0,169901.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,230997.421875,0.0,0.0,0.0,0.0,0.0,0.0,133264.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,289187.6875,0.0,0.0,0.0,0.0 "254.22498 Da 420.75 s",7.01,253.21770,"Palmitoleic acid","C16H30O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,858563.625,1120338.25,0.0,0.0,0.0 "369.36876 Da 421.80 s",7.03,368.36148,"Docosyl acetate","C24H48O2",0.0,0.0,1444423.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,720051.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,524524.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "285.27476 Da 424.44 s",7.07,284.26748,"Stearic acid","C18H36O2",0.0,0.0,659136.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,450203.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34982 Da 426.57 s",7.11,365.34254,"Nervonic acid","C24H46O2",0.0,217796.484375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33419 Da 430.02 s",7.17,339.32692,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,330470.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33887 Da 430.94 s",7.18,397.33159,"Ethyldodecanoate","C14H28O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,146732.4375,333762.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41212 Da 431.16 s",7.19,409.40484,"Squalene","C30H50",443142.3125,384385.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20376 Da 431.19 s",7.19,341.19649,"Inosine","C10H12N4O5",0.0,0.0,0.0,0.0,0.0,106310.140625,523775.21875,0.0,257077.125,0.0,0.0,0.0,0.0,285361.625,458708.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,216151.890625,170560.375,0.0,0.0,0.0,0.0,281544.53125,0.0,0.0,0.0 "256.24046 Da 434.33 s",7.24,255.23319,"Glimepiride","C24H34N4O5S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,2335814.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1901710.625,1626638.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1737330.75,0.0,0.0 "396.39655 Da 435.37 s",7.26,395.38928,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,191056.546875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1027963.6875,0.0,470844.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.52720 Da 435.93 s",7.27,639.51992,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,964136.0625,0.0,0.0,0.0,734230.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,212365.234375,0.0,0.0,0.0,0.0,0.0 "326.31799 Da 442.02 s",7.37,325.31071,"Heneicosanoic acid","C21H42O2",326009.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36892 Da 442.03 s",7.37,368.36164,"Docosyl acetate","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,207181.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30229 Da 442.83 s",7.38,311.29501,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,220925.078125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "338.31798 Da 446.83 s",7.45,337.31070,"Erucic acid","C22H42O2",257882.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20396 Da 448.23 s",7.47,341.19668,"Nicotinamide ribotide","C11H15N2O8P",0.0,0.0,0.0,355614.15625,0.0,0.0,0.0,146149.375,0.0,0.0,0.0,0.0,85272.8828125,0.0,0.0,0.0,0.0,254735.625,0.0,584256.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,328681.46875,0.0,0.0,144600.03125,0.0,0.0,356496.0,0.0,0.0 "354.34911 Da 448.46 s",7.47,353.34183,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,379215.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,368291.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36500 Da 448.82 s",7.48,367.35772,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,478116.40625,0.0,600113.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,285166.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,409913.21875,0.0,0.0 "412.35531 Da 448.90 s",7.48,411.34804,"Corticosterone","C21H30O4",160773.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "280.24033 Da 448.95 s",7.48,279.23305,"Linoleic acid","C18H32O2",0.0,1214337.5,792658.875,0.0,1011769.9375,961247.8125,941801.125,1113772.75,1140655.875,1499419.0,1118709.75,1214018.375,1359691.25,498995.625,831083.125,813925.9375,835315.5625,1155040.125,835610.875,796490.0,905719.6875,962137.0,919056.75,1126592.0,1558914.625,1161806.625,1277911.5,1674548.875,1067130.375,1427302.0,1374089.125,1700795.625,1333513.0,1543766.0,1339221.125,1208251.75 "312.30254 Da 454.85 s",7.58,311.29526,"Arachidic acid","C20H40O2",0.0,0.0,244851.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,213876.265625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "612.49565 Da 457.18 s",7.62,611.48838,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,301378.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,595739.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36841 Da 459.20 s",7.65,368.36114,"Lignoceric acid","C24H48O2",0.0,0.0,1451894.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1334026.375,584717.8125,417105.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,295735.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34943 Da 459.63 s",7.66,353.34215,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,845533.0625,261151.703125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,166169.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "652.29266 Da 460.01 s",7.67,697.29122,"Crocin","C44H64O24",3183582.25,3008847.25,5077247.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3347788.5,2774484.0,0.0,0.0,4008601.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2843846.75,4941538.5,2940675.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51168 Da 461.66 s",7.69,613.50440,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1046032.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,276690.46875,0.0,0.0,0.0,0.0,0.0,0.0 "368.36508 Da 463.02 s",7.72,367.35781,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1165459.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2946161.5,0.0,0.0,0.0,0.0,0.0,367080.96875,0.0,0.0,0.0,0.0 "699.29304 Da 467.00 s",7.78,698.28576,"Glucobrassicin","C16H20N2O9S2",3419841.75,3828813.0,3991166.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1509662.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2042494.0,4129034.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20367 Da 468.10 s",7.80,341.19639,"Nicotinamide ribotide","C11H15N2O8P",0.0,0.0,0.0,0.0,411798.34375,0.0,274952.25,0.0,0.0,0.0,231783.25,0.0,0.0,0.0,0.0,583085.5625,0.0,0.0,0.0,401028.0,172826.40625,0.0,0.0,257852.953125,0.0,0.0,0.0,0.0,0.0,479606.875,0.0,0.0,0.0,219212.734375,367072.8125,0.0 "670.57521 Da 466.66 s",7.78,669.56793,"NCGC00380726-01_C25H33NO6_(2'R,6'S,8a'S)-4,7'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3,3',4',4a',5',6,6',7,7',8,8',8a'-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6'-yl acetate","C25H33NO6",0.0,1123136.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,234223.046875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33350 Da 466.08 s",7.77,339.32623,"Behenic acid","C22H44O2",0.0,1850564.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,449496.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33913 Da 466.84 s",7.78,397.33186,"Mitragynine","C23H30N2O4",0.0,448442.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30255 Da 467.52 s",7.79,311.29528,"Arachidic acid","C20H40O2",1048477.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36822 Da 469.29 s",7.82,368.36094,"Lignoceric acid","C24H48O2",2457046.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,396186.96875,423552.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "682.30380 Da 471.58 s",7.86,681.29652,"S4:17(P3:15/F1:2)","C29H48O15",3.32894208E8,2.72086304E8,4.32206656E8,1159755.125,5387480.0,4554760.5,9127250.0,7972173.0,6802280.0,1.5102712E7,1.5997153E7,1.5486799E7,8158557.5,3.24938848E8,2.91554976E8,5174478.0,4889741.0,3.97644128E8,6830797.0,7570096.5,4046674.0,1.6303487E7,1.8684948E7,7618807.0,1.8996828E7,4746170.0,2.37426032E8,4.76088416E8,2.367292E8,5125107.0,5178865.5,1.8511734E7,6480956.5,7950328.0,1.7331956E7,1.3473408E7 "685.31177 Da 470.94 s",7.85,684.30449,"NCGC00385666-01!(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide","C38H40N2O10",1.8570362E7,1.2497494E7,2.8069696E7,0.0,0.0,0.0,0.0,0.0,0.0,832232.8125,821051.125,620949.5,0.0,1.8162258E7,1.4325036E7,0.0,0.0,2.1397158E7,0.0,0.0,0.0,917419.5,931526.8125,0.0,930502.125,0.0,1.2125465E7,2.512108E7,4638632.5,0.0,0.0,924523.9375,0.0,0.0,942381.5625,0.0 "654.41268 Da 472.39 s",7.87,653.40541,"7-benzyl-11,14-dimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone","C35H53N5O7",0.0,0.0,0.0,0.0,1253036.625,1409106.875,1493311.375,1563459.125,1497233.875,1345362.25,1644141.375,1359062.125,1611402.25,0.0,0.0,1298458.875,1335677.625,0.0,1338991.0,1435204.25,0.0,1389149.75,1239143.5,1186401.875,0.0,1245942.0,0.0,0.0,0.0,589842.9375,0.0,2082093.0,1338913.125,1525430.25,1585806.375,1644562.0 "612.49623 Da 473.89 s",7.90,611.48895,"Elaidic acid","C18H34O2",0.0,0.0,1214924.125,311968.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,441222.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36536 Da 474.29 s",7.90,367.35808,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,432632.1875,0.0,0.0,199119.359375,0.0,4433339.5,0.0,0.0,0.0,0.0,1457344.125,503663.3125,407321.5,0.0,0.0,0.0,266876.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27138 Da 477.31 s",7.96,283.26411,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,2645605.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1758662.375,0.0,0.0,0.0,1957030.75,0.0,0.0,0.0,0.0 "340.33386 Da 479.68 s",7.99,339.32659,"Behenic acid","C22H44O2",0.0,1899848.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,584829.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25587 Da 476.92 s",7.95,281.24859,"Imipramine","C19H24N2",0.0,4366373.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "699.29376 Da 481.10 s",8.02,698.28648,"Capecitabine","C15H22FN3O6",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2469769.25,0.0,0.0,0.0,2597370.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1950613.375,2438185.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "670.57387 Da 485.19 s",8.09,669.56660,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,1353057.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,451561.1875,603714.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36537 Da 485.77 s",8.10,367.35810,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,1003411.9375,471920.9375,602775.9375,0.0,0.0,0.0,4275550.0,3399507.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,365078.8125,682639.9375,0.0,0.0 "640.52725 Da 486.31 s",8.11,639.51998,"Imipramine","C19H24N2",0.0,1743368.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1198072.125,0.0,0.0,0.0,556114.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20345 Da 487.57 s",8.13,341.19617,"Zardaverine","C12H10F2N2O3",0.0,0.0,0.0,0.0,0.0,0.0,321412.25,0.0,0.0,0.0,0.0,473112.53125,0.0,0.0,0.0,0.0,257106.9375,173673.125,0.0,514282.21875,0.0,0.0,275689.78125,0.0,0.0,0.0,0.0,0.0,231111.734375,0.0,0.0,505682.875,0.0,0.0,0.0,0.0 "682.30324 Da 491.07 s",8.18,681.29597,"S4:17(P3:15/F1:2)","C29H48O15",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,822629.375,0.0,0.0,1.6473661E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27157 Da 491.16 s",8.19,283.26429,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,1198669.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "998.81817 Da 494.24 s",8.24,997.81089,"Palmitoylcarnitine cation","C23H45NO4",1261491.75,1072716.625,1187583.0,0.0,1133746.0,1177918.625,780843.5,0.0,0.0,1019718.375,1164410.625,1779021.0,685111.6875,1147573.5,829612.1875,947936.375,1101548.375,1251058.125,627982.0,508757.78125,949047.3125,1044157.6875,1119983.5,826868.1875,1286388.625,836166.25,672343.0,1290410.75,988908.75,1159660.375,1147276.25,1257911.375,0.0,539187.25,1266119.75,965772.5 "326.31835 Da 494.51 s",8.24,325.31107,"Heneicosanoic acid","C21H42O2",372615.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25561 Da 492.90 s",8.21,269.24833,"Heptadecanoic acid","C17H34O2",626845.375,0.0,1090079.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,954175.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1538951.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "668.54076 Da 493.08 s",8.22,667.53349,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1007250.25,917162.8125,1889049.875,0.0,2216959.25,2510328.5,0.0,1182936.0,1291491.125,2273645.5,2803140.75,3814870.75,2190689.25,1258854.5,1284346.0,2091658.625,2273080.25,2925456.25,1518025.25,1360185.375,2522381.75,2627029.0,2835577.0,1487171.75,3318135.5,1625974.375,1459817.0,2694416.0,2638642.25,2327444.5,2431638.0,2779227.25,1349728.625,2050980.0,2781703.5,2330787.0 "736.52784 Da 493.82 s",8.23,735.52057,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,968805.8125,1083937.875,0.0,0.0,0.0,786142.4375,630253.5625,869745.125,1051216.375,0.0,0.0,944116.5,1083453.625,1247101.125,0.0,0.0,1465469.0,766966.75,1387059.5,0.0,726091.9375,0.0,0.0,0.0,0.0,944007.8125,1025574.3125,1298417.875,0.0,795927.1875,1186935.625,1052827.625 "376.28228 Da 494.25 s",8.24,375.27500,"(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 4-hydroxy-3,5-dimethoxybenzoate","C22H26O12",982776.5625,1251260.25,1306716.125,0.0,1632577.25,1733056.625,1336107.875,1738361.625,1096934.0,1876608.375,1566842.625,1915274.0,1397728.625,1274848.875,1166194.0,1519353.0,1674504.25,1577373.0,1846738.25,1273577.125,1596445.125,1568147.25,1522644.25,1854271.0,1600198.0,1596741.875,1303643.75,1528989.125,1237914.25,1607875.5,1659099.75,1686534.25,1188657.875,1201672.875,1646286.125,1510800.625 "308.27107 Da 491.96 s",8.20,307.26379,"(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","C23H40O5",614289.3125,172926.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "667.54386 Da 493.21 s",8.22,666.53658,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",768019.9375,659599.25,444414.15625,0.0,564372.125,595216.9375,698170.5,0.0,0.0,1011778.3125,1136431.375,889608.8125,804868.9375,672809.6875,626531.5,842774.25,1313871.5,1138640.0,462853.71875,0.0,643352.625,1132248.0,1289383.5,0.0,1589509.375,801020.875,977104.75,617354.4375,670525.75,902905.1875,630098.9375,1319118.375,0.0,1105609.125,802535.125,718705.375 "586.51745 Da 493.26 s",8.22,585.51017,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,1969745.75,0.0,1249738.125,1812664.75,1189580.5,689482.25,612587.0,774055.125,0.0,1803388.25,875516.875,0.0,0.0,1098420.625,0.0,2067183.75,0.0,0.0,817641.5,1328607.375,1388233.75,0.0,986048.0,974799.125,1494962.75,0.0,1322895.25,922192.125,1227096.0,1544987.25,0.0,756252.125,1223364.625,1072044.75 "256.24033 Da 493.22 s",8.22,255.23305,"Ethyl myristate","C16H32O2",1940045.25,0.0,1950993.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1580253.0,0.0,0.0,1322051.625,1298067.125,1464646.75,0.0,0.0,0.0,0.0,1879853.375,839089.9375,1378502.625,0.0,0.0,0.0,0.0,0.0,0.0,971720.3125,0.0,0.0,0.0,0.0,0.0,0.0 "382.34419 Da 492.59 s",8.21,381.33691,"(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid","C27H38O4",1206521.75,832787.375,1072074.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1024796.8125,733784.75,0.0,0.0,966757.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1068787.25,1644785.75,1126167.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36487 Da 494.42 s",8.24,367.35759,"Lignoceric acid","C24H48O2",0.0,0.0,4970322.5,0.0,0.0,0.0,0.0,0.0,545360.375,0.0,0.0,0.0,390834.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "306.25576 Da 495.12 s",8.25,305.24848,"11.14.17-eicosatrienoic acid","C20H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1396041.875,0.0,1462202.5,0.0,1529981.625,1435026.0,686656.625,0.0,0.0,1188880.5,1107387.125 "268.24011 Da 497.08 s",8.28,267.23283,"Prostaglandin F2a","C20H34O5",0.0,755539.75,1278665.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1092787.875,847785.4375,0.0,0.0,1522117.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1471830.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24037 Da 497.10 s",8.28,255.23310,"Sphingomyelin d18:0-C16:0","C39H81N2O6P",0.0,0.0,0.0,0.0,2870084.75,0.0,0.0,0.0,0.0,3062695.0,0.0,0.0,0.0,8224476.5,0.0,0.0,0.0,0.0,3042529.0,2164878.25,2088135.125,0.0,0.0,2539626.25,0.0,0.0,0.0,0.0,0.0,2437145.5,2610367.0,0.0,0.0,0.0,2853090.25,0.0 "306.25598 Da 497.11 s",8.29,305.24870,"11.14.17-eicosatrienoic acid","C20H34O2",0.0,1040928.3125,1001738.375,0.0,0.0,910968.375,0.0,912926.0,822039.3125,975953.625,917415.8125,716759.8125,1567921.75,0.0,0.0,1205818.125,921758.25,928089.4375,1299941.75,633117.9375,0.0,973176.625,1052067.5,1309689.75,1058583.375,987070.0,1126630.75,1920204.5,1189607.5,1158363.625,1535433.0,1253005.125,1595590.75,1701965.125,1508917.5,1669781.625 "668.54076 Da 500.07 s",8.33,667.53348,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,1256906.25,1751946.875,1497377.75,0.0,0.0,1917799.625,2249361.75,2899728.5,1733101.5,0.0,0.0,0.0,0.0,1935245.25,1157025.625,1635229.375,1497229.375,1873133.375,2352882.0,0.0,2722329.25,0.0,0.0,0.0,0.0,1520052.5,0.0,0.0,0.0,1346996.75,2237630.25,1889964.125 "586.51685 Da 500.50 s",8.34,585.50957,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1572421.5,1327096.375,1740554.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,826563.1875,0.0,0.0,1338542.0,1202011.0,0.0,1190299.875,0.0,872642.5,789430.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1573373.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41153 Da 498.75 s",8.31,409.40425,"Squalene","C30H50",0.0,497589.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "672.27432 Da 500.86 s",8.35,671.26705,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1146236.5,0.0,2056987.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1577512.375,935102.5625,0.0,0.0,1871778.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,953709.1875,2326481.0,770735.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33343 Da 499.15 s",8.32,339.32615,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,317794.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "382.34345 Da 502.88 s",8.38,381.33617,"(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid","C27H38O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,309800.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "638.51211 Da 502.24 s",8.37,637.50483,"7,8-Dihydrobiopterin","C9H13N5O3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,731573.4375,259421.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "326.31583 Da 503.84 s",8.40,325.30855,"Heneicosanoic acid","C21H42O2",312306.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "600.49713 Da 504.79 s",8.41,599.48985,"Estrone","C18H22O2",0.0,0.0,0.0,258715.390625,179392.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,292116.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27129 Da 505.00 s",8.42,283.26401,"Stearic acid","C18H36O2",0.0,0.0,2422982.0,3120001.0,2685351.0,2881161.0,0.0,0.0,0.0,0.0,0.0,0.0,1532942.75,0.0,4356899.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1750456.625,0.0,0.0,3269048.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "280.24011 Da 505.73 s",8.43,279.23284,"Linoleic acid","C18H32O2",0.0,1709643.875,0.0,287398.03125,287489.84375,287050.1875,0.0,403518.4375,0.0,0.0,0.0,0.0,0.0,0.0,1290314.625,0.0,0.0,854078.75,432801.53125,294153.03125,0.0,0.0,0.0,0.0,0.0,0.0,447487.875,0.0,861781.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36510 Da 506.17 s",8.44,367.35783,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,268833.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1331999.25,0.0,0.0,0.0,0.0,0.0,0.0 "672.27395 Da 508.52 s",8.48,671.26667,"Chukrasin Methyl Ether","C43H58O16",0.0,0.0,1054412.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1054788.25,0.0,0.0,0.0,1117038.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1384805.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "682.30325 Da 513.30 s",8.55,681.29597,"S4:17(P3:15/F1:2)","C29H48O15",0.0,3845112.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "668.54062 Da 512.14 s",8.54,667.53334,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,4689674.5,6825113.5,0.0,0.0,5452244.0,0.0,0.0,0.0,0.0,0.0,6999946.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9303656.0,0.0,0.0,0.0,7930335.0,7163458.5,7290579.0,7472994.5,6421671.5 "256.24016 Da 513.01 s",8.55,255.23289,"Palmitic Acid","C16H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3562875.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "268.24018 Da 510.38 s",8.51,267.23290,"methyl palmitoleate","C17H32O2",819926.0,945601.3125,1501740.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1507749.875,1012601.25,0.0,0.0,1427258.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1171373.25,1460489.5,950107.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41196 Da 512.34 s",8.54,409.40468,"Squalene","C30H50",0.0,396026.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "268.24036 Da 512.66 s",8.54,267.23309,"Hexadecanedioic acid","C16H30O4",1455620.125,0.0,1107601.125,0.0,0.0,537889.6875,294116.75,0.0,0.0,0.0,905791.1875,0.0,0.0,783816.9375,1944366.5,0.0,0.0,1025552.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,898144.1875,1519674.0,0.0,0.0,0.0,986034.6875,0.0,0.0,494423.4375,0.0 "666.54290 Da 513.44 s",8.56,665.53562,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",962468.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,888914.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,316198.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "412.35416 Da 513.51 s",8.56,411.34688,"Corticosterone","C21H30O4",343523.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "397.40005 Da 513.62 s",8.56,396.39277,"Tryptamine","C10H12N2",0.0,422761.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "660.55411 Da 514.39 s",8.57,659.54683,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",2967987.5,2099035.25,3546533.0,1043293.8125,2099525.75,2145105.0,1709071.375,0.0,996955.875,1267950.375,1814972.375,2173264.75,1209913.25,2302699.75,2102080.0,2453678.0,2083871.25,2203519.0,1261364.125,1156727.625,1613026.75,1655455.75,1641135.5,799512.5625,1461355.375,2138072.25,1831427.0,2201761.25,2234212.75,2131074.75,1697980.75,1655789.5,945318.5625,1630947.0,1567147.25,1372292.125 "612.49626 Da 514.90 s",8.58,611.48898,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,0.0,560471.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,187699.5,409079.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,478588.71875,519683.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24009 Da 516.61 s",8.61,255.23281,"Ethyl myristate","C16H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2940697.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24032 Da 515.47 s",8.59,255.23305,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",9490423.0,9201558.0,0.0,0.0,4309442.5,0.0,0.0,0.0,0.0,2869841.25,2612364.25,0.0,2985801.75,0.0,0.0,0.0,3201990.25,0.0,0.0,3188306.25,2898518.0,3056294.5,2786304.0,0.0,2943416.75,6585262.5,0.0,0.0,2619990.75,3534671.0,3069855.5,3675555.5,0.0,2639707.75,5588284.5,0.0 "667.54364 Da 515.02 s",8.58,666.53637,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",976511.6875,1427664.875,1406953.125,969503.4375,1834565.375,1730331.875,1687082.0,1725169.875,1632562.625,2189796.25,2437189.5,2478343.0,1774509.375,1238110.5,1571366.25,1730450.5,2025503.25,2191030.75,1207059.875,1387863.625,2087161.5,2180356.25,2408821.0,1519109.25,2479014.25,1661145.875,2018493.625,2168557.25,1905371.5,1983740.625,2138368.25,2385564.5,1651207.0,2052548.0,2495790.25,2231145.0 "612.53132 Da 517.76 s",8.63,611.52405,"Elaidic acid","C18H34O2",0.0,0.0,552829.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,849687.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,647683.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "587.52040 Da 515.25 s",8.59,586.51313,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",2066580.875,2032056.75,2018861.75,0.0,902854.5625,1543423.375,1306412.5,940958.875,919831.875,1246108.25,1081106.5,1361405.625,1216166.625,1128492.375,1091828.5,1585505.5,1406479.0,1527726.75,1003761.5625,1075134.125,1115481.375,1292616.625,1264812.5,0.0,1523934.5,892119.25,1694384.5,1821013.625,1263057.5,1241576.75,1609981.0,1321512.625,1195306.875,1303048.75,878712.0,1136978.0 "668.54046 Da 515.13 s",8.59,667.53318,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",6349293.0,6179742.5,6864718.0,1728827.75,6660768.5,1.0231017E7,5574965.5,5505469.0,6303199.0,7300143.5,8428502.0,9058468.0,6208250.0,4798424.5,6531360.0,6258994.5,7899848.5,7808070.0,4674783.0,4787583.0,7484397.0,7707801.5,8564224.0,5480774.5,9565002.0,6254337.5,7725558.5,6248278.5,7322086.0,7290018.0,7224264.5,9962083.0,5268738.5,6969176.5,9508062.0,9305060.0 "282.25572 Da 517.29 s",8.62,281.24844,"Linoleic acid","C18H32O2",1580546.5,1325802.5,1316401.125,0.0,1190827.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1092210.5,1758084.5,1121714.5,0.0,1103897.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1398513.25,1450943.625,1367754.625,1166608.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "242.22473 Da 515.18 s",8.59,241.21745,"Pentadecanoic acid","C15H30O2",1485854.0,1796917.125,1996482.75,0.0,1312684.5,1057528.5,0.0,0.0,0.0,0.0,786251.3125,1173104.5,0.0,921066.625,1409637.25,1518011.625,1247102.625,1446193.625,0.0,0.0,0.0,0.0,1031953.625,0.0,1384142.375,915326.8125,1237736.375,1490644.375,1216288.125,1066815.25,1195082.125,0.0,0.0,0.0,0.0,0.0 "254.22457 Da 515.60 s",8.59,253.21729,"Palmitoleic acid","C16H30O2",2398130.25,1459187.25,1466996.75,0.0,1357950.25,1305965.25,1339484.625,0.0,0.0,1158475.75,1406482.75,1187495.0,1206071.5,987167.25,1193675.0,1675070.125,1465728.75,1469903.0,0.0,0.0,0.0,1669395.625,0.0,0.0,1189335.375,1338919.75,1771342.125,1894381.25,0.0,1517910.75,1314295.625,726928.0,0.0,0.0,1034444.1875,0.0 "586.51738 Da 515.27 s",8.59,585.51011,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",2266393.5,2204650.5,2164341.0,1074236.25,1675801.0,1675621.625,1320054.75,1398738.625,1399595.375,1615669.75,1581106.5,1870469.375,1365088.625,1994291.5,2069730.875,1950076.0,1574239.5,1997808.0,1435319.125,1007906.1875,1457256.25,1862472.25,1785195.75,1161354.5,1774851.5,1741119.625,1776819.875,2241969.5,1513116.25,1662661.0,1664808.25,1726167.125,1340047.125,1322207.75,1570408.0,1356675.25 "668.54053 Da 517.91 s",8.63,667.53326,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",4595237.0,0.0,0.0,0.0,0.0,6125759.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5299436.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "228.20902 Da 517.03 s",8.62,227.20174,"Ethyldodecanoate","C14H28O2",1035175.6875,1419273.5,1356319.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "671.57709 Da 517.47 s",8.62,670.56982,"Dolasetron","C19H20N2O3",0.0,92307.2578125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "634.51774 Da 519.08 s",8.65,633.51046,"Arachidonic acid","C20H32O2",846478.625,1041920.0625,844209.1875,0.0,594047.75,0.0,0.0,0.0,651510.375,705595.75,728104.5625,1022840.4375,0.0,1288442.375,0.0,0.0,0.0,1023986.4375,0.0,0.0,0.0,962467.9375,1331272.25,0.0,1062662.125,0.0,0.0,0.0,0.0,0.0,0.0,626241.375,0.0,0.0,708871.125,0.0 "342.20419 Da 517.80 s",8.63,341.19692,"Zardaverine","C12H10F2N2O3",0.0,0.0,0.0,0.0,275412.46875,0.0,695637.125,0.0,123592.0390625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,337230.0625,0.0,0.0,272271.0625,0.0,116090.4453125,84052.9296875,0.0,0.0,0.0,490236.46875,0.0,315946.75,252021.515625,617583.625,0.0,520120.34375 "312.30216 Da 518.15 s",8.64,311.29488,"Methylgallate","C8H8O5",0.0,0.0,1056951.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,328402.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25582 Da 518.27 s",8.64,269.24854,"Heptadecanoic acid","C17H34O2",1588128.0,1165214.625,1766684.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1522326.125,1252004.75,0.0,0.0,1654983.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,931682.125,2150011.75,1249891.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36512 Da 518.55 s",8.64,367.35784,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,1087498.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,423629.4375,758588.1875,196127.734375,0.0,398681.90625,0.0,2708378.25,1393113.25,1383736.625,0.0,0.0,628528.875,400224.5625,881026.375,0.0,0.0 "354.34925 Da 520.58 s",8.68,353.34197,"Tricosanoic acid","C23H46O2",0.0,1003714.6875,790810.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,170500.703125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "397.39915 Da 522.28 s",8.70,396.39188,"1,11-Undecanedicarboxylic acid","C13H24O4",0.0,377701.28125,510671.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "304.24034 Da 522.64 s",8.71,303.23306,"Arachidonic acid","C20H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1136282.375,1412281.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1226230.25,0.0,1284851.125,0.0,0.0,0.0,0.0,0.0,0.0,1136433.375,0.0,0.0,0.0,0.0 "600.49625 Da 526.64 s",8.78,599.48897,"Estrone","C18H22O2",1101721.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,790969.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33362 Da 524.87 s",8.75,339.32634,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,536033.5,0.0,754827.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25586 Da 527.61 s",8.79,269.24858,"Heptadecanoic acid","C17H34O2",0.0,1610082.375,0.0,0.0,0.0,0.0,0.0,0.0,574345.4375,0.0,552917.4375,995539.3125,0.0,2301365.0,0.0,0.0,0.0,807397.3125,0.0,0.0,0.0,1671580.375,980765.875,0.0,946630.8125,0.0,2215073.5,1640478.875,1415026.875,0.0,0.0,1293030.25,0.0,0.0,0.0,0.0 "614.51174 Da 527.83 s",8.80,613.50446,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,478611.875,0.0,0.0,0.0,0.0,179365.75,0.0,0.0,0.0,0.0,0.0,0.0,1393398.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1272646.75,902008.0625,0.0,434015.09375,593019.4375,531778.9375,0.0,0.0,0.0,0.0,0.0 "626.51217 Da 528.40 s",8.81,625.50489,"methyl palmitoleate","C17H32O2",0.0,1157611.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "324.22753 Da 528.73 s",8.81,323.22026,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,3930618.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3790333.25,3241278.5,4088635.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3162308.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "386.19789 Da 528.77 s",8.81,385.19061,"Dodecyl gallate","C19H30O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1955620.375,2684811.0,1673081.75,0.0,0.0,0.0,0.0,1484229.0,0.0,1008815.25,0.0,0.0,0.0,0.0,0.0,2809054.25,1266255.375,0.0,0.0,0.0,1218453.75,0.0,1912676.375,0.0,0.0,1960839.25,0.0 "602.45008 Da 529.53 s",8.83,601.44280,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",3550720.75,0.0,5273087.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4415094.5,4473236.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2936091.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "668.54055 Da 529.07 s",8.82,667.53328,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,1894166.875,1461960.75,2048412.125,1277723.375,0.0,2634784.5,3924375.25,1836021.5,1969897.625,0.0,0.0,1998760.5,1931389.125,0.0,0.0,0.0,1914214.125,3133074.0,2649392.75,1430755.75,2666845.75,1012317.0,0.0,4621283.0,0.0,1433340.125,1481963.0,2762711.5,0.0,1397046.0,2346291.25,1751623.75 "586.51793 Da 529.22 s",8.82,585.51066,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1482361.875,0.0,0.0,0.0,1226559.75,7482469.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "892.53767 Da 531.24 s",8.85,891.53040,"PI O-40:8","C49H81O12P",4235990.0,7046291.0,7147516.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9783427.0,4286735.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4244120.0,1.2352619E7,7654346.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "534.46329 Da 530.79 s",8.85,533.45602,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4746978E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24099 Da 530.27 s",8.84,255.23371,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,7.3217024E8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0847312E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.63826864E8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24042 Da 531.64 s",8.86,255.23314,"Ethyl myristate","C16H32O2",1.81402368E8,1.70588336E8,2.87710048E8,0.0,1.5488918E7,1.1532148E7,2.5654368E7,2.1264582E7,1.9373446E7,4.1089536E7,3.3510216E7,3.7576752E7,2.2101148E7,1.97105856E8,1.80557216E8,1.3086232E7,1.6258825E7,2.86015616E8,1.8308284E7,1.9507922E7,1.0490119E7,3.2462868E7,4.4375556E7,1.5975584E7,4.0744104E7,1.4227337E7,1.32566424E8,3.18456352E8,1.36927328E8,1.4931822E7,1.3832263E7,4.0746232E7,1.4718866E7,2.0338314E7,3.390464E7,2.4042232E7 "242.22419 Da 530.44 s",8.84,241.21692,"Ginsenoside Rg3(R-FORM)","C42H72O13",0.0,0.0,0.0,490188.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "534.46271 Da 531.86 s",8.86,533.45543,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",2.1968188E7,2.2667328E7,2.4982684E7,1014417.375,6472017.0,6351886.5,9982863.0,7980078.5,7811217.0,1.2878412E7,1.2453681E7,1.1256807E7,8499455.0,2.150427E7,1.828768E7,7452335.0,7552041.0,1.9332672E7,7615152.0,6882678.0,5562013.5,1.2002283E7,1.2267577E7,7364290.5,1.295266E7,7550085.5,1.9418948E7,2.054782E7,1.900853E7,8054753.5,7225054.5,1.3199179E7,6318314.5,8695762.0,1.0673052E7,9479262.0 "586.51758 Da 531.28 s",8.85,585.51031,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1.1385858E7,9416114.0,1.2366372E7,0.0,4822794.0,4708623.0,2905624.5,2035583.375,1708136.25,4953124.0,5314747.5,7464547.5,2757859.5,9539235.0,1.0294994E7,4513939.5,4742487.5,9334530.0,1675869.625,1877488.75,3522233.0,4961242.0,5270018.0,1932156.5,5894861.5,4293330.5,9412643.0,1.2934706E7,6169503.5,4187563.5,4035124.0,7075148.5,1966466.25,2151321.75,5618016.0,3914839.5 "612.53283 Da 531.77 s",8.86,611.52555,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,6260175.5,6305631.5,0.0,1836386.875,2770284.5,1367603.125,2069777.0,1459018.5,2099429.5,2484236.5,3263491.25,2084649.875,0.0,0.0,2219631.75,1985867.125,3655421.5,1580598.625,1690808.75,1146922.625,1499475.25,2329986.75,1442608.875,3212815.5,2315415.0,4049729.5,7826242.0,2597422.75,2262708.5,2065515.625,3992883.5,1740254.5,2185496.5,2300074.0,2136881.75 "602.45016 Da 532.05 s",8.87,601.44289,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",6028457.0,5869679.0,5362757.0,0.0,2228863.5,2084423.125,1998707.875,2097001.25,2378481.0,4225314.5,2577858.0,2634402.0,2380560.75,5516021.5,4963789.5,2073057.25,2130471.75,3758789.75,2016246.75,1879469.0,1969928.875,2285782.75,2364453.5,1849887.125,3839700.0,2221466.25,4642264.5,2010361.125,2197294.5,2036005.0,2011495.125,2710678.0,2110386.5,1777537.25,2363906.0,2151601.5 "892.54068 Da 535.20 s",8.92,891.53341,"PI O-40:8","C49H81O12P",0.0,0.0,4869151.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4163432.75,0.0,0.0,0.0,2952682.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24014 Da 535.00 s",8.92,255.23286,"Ethyl myristate","C16H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3520504E8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "587.52097 Da 533.94 s",8.90,586.51369,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1.1482648E7,4226633.0,1.5024611E7,0.0,4937888.0,5202473.0,2270279.25,1566252.375,1596910.75,3476113.25,4599037.0,8350769.5,2392964.5,7014100.0,3298603.25,4753051.5,4947052.0,3132171.0,2112095.25,1747773.75,2773401.5,5164114.5,4544785.5,1535548.625,5082000.0,3601049.75,4528416.5,8642905.0,3122306.25,4281438.0,3396550.5,5835325.5,1741626.75,2299502.5,4268773.5,3689909.0 "256.24068 Da 533.64 s",8.89,255.23340,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.20370616E8,0.0,0.0,0.0,0.0,0.0,1.143109376E9,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24045 Da 535.00 s",8.92,255.23317,"Palmitic Acid","C16H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.77634592E8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39642 Da 533.68 s",8.89,395.38914,"Hexacosanoic acid","C26H52O2",0.0,0.0,1391315.625,0.0,0.0,919510.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1002938.75,519974.46875,0.0,488014.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "666.54380 Da 536.26 s",8.94,665.53652,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,403104.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "386.19815 Da 535.95 s",8.93,385.19087,"Phosphatidylethanolamine alkenyl 18:1-22:2","C45H84NO7P",0.0,0.0,0.0,0.0,1218997.625,2570452.5,1080443.0,3040253.75,2394006.0,2209697.5,1868448.25,3046568.75,1249155.75,0.0,0.0,1251966.0,2045036.0,1335188.5,0.0,2650724.25,2505611.5,1908814.375,2016798.5,1554763.875,2227887.25,950004.0625,1340191.625,1294345.125,0.0,915436.375,2448350.0,1860734.75,1228180.375,2423412.5,1881276.875,1309500.25 "282.25597 Da 536.65 s",8.94,281.24869,"Imipramine","C19H24N2",0.0,0.0,3539382.0,0.0,0.0,0.0,2790550.75,0.0,0.0,2473374.25,0.0,0.0,0.0,3802564.75,0.0,0.0,3073074.25,3026286.25,0.0,0.0,1932056.875,0.0,0.0,0.0,0.0,5016164.0,1659639.5,6701069.5,0.0,2664390.25,2200787.0,2584065.5,0.0,0.0,1706830.0,0.0 "354.34941 Da 538.93 s",8.98,353.34213,"Tricosanoic acid","C23H46O2",1223901.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36512 Da 539.79 s",9.00,367.35784,"Lignoceric acid","C24H48O2",0.0,0.0,5679177.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,162868.484375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,433598.40625,0.0,0.0,0.0,0.0,0.0,0.0,1713097.5,0.0,1434474.0,1239377.5,0.0,812301.1875,0.0,0.0,0.0,0.0 "602.44939 Da 538.10 s",8.97,601.44212,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,2892265.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3476443.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3210116.25,1558030.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.54261 Da 540.53 s",9.01,641.53534,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1945203.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20425 Da 539.80 s",9.00,341.19697,"Dodecanedioic acid","C12H22O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,209803.765625,0.0,0.0,0.0,0.0,0.0,0.0,387714.8125,0.0,0.0,0.0,0.0,0.0,602408.5625,0.0,0.0,0.0,0.0,225439.328125,0.0,0.0 "392.21465 Da 540.24 s",9.00,391.20738,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",237674.796875,746620.875,1060576.625,0.0,0.0,1425696.625,0.0,0.0,1422612.25,0.0,0.0,0.0,0.0,327605.78125,730989.5625,0.0,0.0,403248.5,956855.5625,0.0,985631.5,0.0,0.0,0.0,0.0,0.0,0.0,1191632.875,1267057.0,1093104.625,760024.25,0.0,778304.1875,0.0,0.0,0.0 "614.51172 Da 542.98 s",9.05,613.50444,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,872982.9375,0.0,0.0,767909.1875,301875.90625,0.0,0.0,0.0,43008.7734375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34951 Da 545.65 s",9.09,353.34224,"Tricosanoic acid","C23H46O2",1641069.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,793619.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,931574.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "392.21481 Da 546.56 s",9.11,391.20753,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,577198.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "682.30364 Da 547.77 s",9.13,681.29636,"S4:17(P3:15/F1:2)","C29H48O15",1072067.625,1119966.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,950815.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1157507.875,0.0,1229636.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "612.49616 Da 548.80 s",9.15,611.48888,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,0.0,372513.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,322959.375,305922.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "324.22748 Da 548.92 s",9.15,323.22021,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,246543.90625,0.0,0.0,0.0,0.0,1720731.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,601632.375,0.0,0.0,0.0,0.0,0.0,1682899.375,0.0,0.0,1047754.375,0.0,0.0,0.0,0.0 "612.53308 Da 548.97 s",9.15,611.52580,"Pregnenolone sulfate","C21H32O5S",520783.5,706185.4375,846434.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,980252.25,395179.34375,919736.25,0.0,658896.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,506641.25,781765.0,0.0,0.0,0.0,867233.5,0.0,0.0,0.0,0.0 "342.20379 Da 550.20 s",9.17,341.19652,"Zardaverine","C12H10F2N2O3",0.0,0.0,0.0,175252.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,292603.90625,0.0,0.0,0.0,0.0,0.0,435218.375,0.0,0.0,0.0,0.0,0.0,492309.5625,0.0,0.0,0.0,387337.75,0.0,0.0,0.0,0.0,0.0,349478.6875 "396.39620 Da 551.91 s",9.20,395.38893,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,1045893.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1358025.375,273843.5,632494.5,0.0,0.0,0.0,0.0,0.0,0.0 "368.36554 Da 552.23 s",9.20,367.35826,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,925839.6875,0.0,0.0,0.0,965091.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,514597.9375,865118.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "352.24009 Da 553.70 s",9.23,351.23281,"Grayanotoxin I","C22H36O7",1952679.75,1571883.5,1922289.875,0.0,2195474.0,2188992.25,2399087.75,2387787.25,2147686.0,2661909.0,2583317.5,2235885.5,2046033.125,2159024.0,2076266.375,1905389.625,2363038.25,2112193.25,1895008.0,1576178.625,1963115.875,2264222.0,2301318.75,2047016.75,2623290.5,1708186.125,2468410.5,1937649.75,1718265.0,2166248.75,2278231.5,2156669.25,2028319.0,2564569.5,1716448.375,1917364.75 "282.25599 Da 554.14 s",9.24,281.24871,"Linoleic acid","C18H32O2",6134110.5,5106596.5,7373683.5,0.0,7975434.5,8175432.0,8607399.0,7706878.0,7053770.5,6569625.0,8152700.0,7967831.5,1.1538023E7,7386813.5,4813732.5,8234617.5,7508964.5,9022577.0,6954162.5,6055196.5,6195884.5,8033311.5,7380192.5,6095094.5,1.0310359E7,1.0648403E7,9962847.0,1.6273338E7,1.1099341E7,1.1128904E7,1.2260733E7,1.2901075E7,1.3007253E7,1.2988541E7,9147601.0,9663899.0 "560.47761 Da 553.52 s",9.23,559.47033,"Pregnenolone sulfate","C21H32O5S",0.0,1158634.125,760134.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1063938.875,0.0,0.0,0.0,1217679.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,967813.0625,1121780.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "350.24319 Da 552.55 s",9.21,349.23592,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1171302.375,0.0,0.0,0.0,0.0,0.0 "350.24323 Da 554.34 s",9.24,349.23596,"Imipramine","C19H24N2",1651187.875,1003443.25,1235072.875,0.0,1408590.75,1149565.0,1350303.875,1089624.0,1511521.25,1249747.5,1288746.875,1125143.125,1498683.5,784550.125,1625183.625,1287293.0,1327890.75,1204630.875,1489698.625,1474087.125,997269.25,1109374.875,1344401.625,1137103.125,1782951.5,1578019.125,1410724.5,1516484.125,1289405.125,1787187.625,1810333.125,1757135.0,1671589.0,1646911.375,1582114.625,1326948.0 "282.25595 Da 554.05 s",9.23,281.24867,"Roquefortine C","C22H23N5O2",0.0,335122.96875,707442.6875,0.0,1006477.0,766240.1875,0.0,0.0,0.0,0.0,557105.75,550258.1875,0.0,0.0,787386.625,651717.625,454793.15625,905780.4375,0.0,0.0,0.0,451652.3125,639982.875,0.0,0.0,542602.5,481382.4375,586841.1875,0.0,860797.6875,533366.6875,868804.25,0.0,459844.59375,1161191.0,0.0 "340.33376 Da 553.64 s",9.23,339.32649,"Behenic acid","C22H44O2",1479190.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1177006.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25593 Da 553.84 s",9.23,281.24865,"Linoleic acid","C18H32O2",0.0,0.0,540447.375,0.0,0.0,0.0,758759.75,0.0,0.0,0.0,420112.96875,0.0,1058016.0,804402.375,0.0,542479.75,0.0,683348.5,0.0,0.0,0.0,0.0,0.0,0.0,800435.5625,667949.125,0.0,1183742.125,867682.0625,0.0,938977.625,772594.4375,1100104.0,1358016.5,1167071.0,810246.9375 "366.34956 Da 555.91 s",9.27,365.34229,"Nervonic acid","C24H46O2",609821.5,541167.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51123 Da 556.51 s",9.28,613.50395,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,261294.109375,113594.1640625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,654121.625,624466.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,483991.4375,0.0,593268.5,0.0,0.0,0.0,0.0,0.0 "392.21410 Da 562.05 s",9.37,391.20682,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,632079.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,755130.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,260287.734375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "454.18483 Da 563.06 s",9.38,453.17755,"Dodecyl gallate","C19H30O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,425100.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "668.55457 Da 564.55 s",9.41,667.54730,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,307350.9375,53689.18359375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "534.46270 Da 563.50 s",9.39,533.45542,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",543588.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,531102.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36531 Da 563.88 s",9.40,367.35803,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1558892.875,0.0,266040.59375,1211848.5,0.0,0.0,0.0,3084203.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,335310.625,0.0,0.0 "284.27146 Da 565.93 s",9.43,283.26418,"Vaccenic acid","C18H34O2",6917628.5,0.0,6606218.0,0.0,2748508.0,0.0,0.0,0.0,0.0,2068728.625,0.0,1979766.875,1674931.25,4358834.5,4088220.25,0.0,0.0,4253578.5,0.0,0.0,0.0,2186629.75,0.0,0.0,1780860.5,0.0,935723.5,7539596.5,2661804.5,0.0,0.0,2204440.25,0.0,0.0,1958167.0,0.0 "586.48115 Da 567.99 s",9.47,585.47387,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,258226.734375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34985 Da 572.17 s",9.54,353.34258,"Phosphatidylcholine alkyl 16:0-18:2","C42H82NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,842734.375,635710.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,349354.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20413 Da 569.63 s",9.49,341.19685,"Zardaverine","C12H10F2N2O3",0.0,112378.515625,0.0,0.0,0.0,0.0,150876.140625,0.0,0.0,61416.66015625,0.0,0.0,0.0,319384.9375,0.0,0.0,0.0,0.0,0.0,321623.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,456928.40625,0.0,0.0,0.0,0.0,120872.8046875,592121.5,225158.640625,251307.0625 "598.48016 Da 572.78 s",9.55,597.47288,"2-[2-[5-[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol","C50H84O22",0.0,0.0,377118.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.54189 Da 574.83 s",9.58,641.53462,"Pregnenolone sulfate","C21H32O5S",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1414270.5,0.0,0.0,129665.890625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,408655.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36562 Da 574.88 s",9.58,367.35835,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,214851.953125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,373697.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,328065.5,0.0,0.0,0.0 "282.25573 Da 575.08 s",9.58,281.24845,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,2959531.0,0.0,1218223.0,2221845.75,2019152.25,2240608.75,0.0,3862092.0,5806647.0,0.0,5184032.0,2898882.0,2934050.0,0.0,3223626.75,0.0,2813679.5,0.0,2862058.75,0.0,0.0,4618283.0,0.0,0.0,0.0,0.0,2815783.75,2489937.75,0.0 "256.23944 Da 575.15 s",9.59,255.23216,"Ethyl myristate","C16H32O2",0.0,0.0,608232.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,624380.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "612.49617 Da 576.20 s",9.60,611.48889,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,1116235.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,757875.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,301377.84375,0.0,0.0,0.0,0.0,0.0,0.0 "396.39620 Da 576.98 s",9.62,395.38892,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,440984.46875,780761.375,0.0,0.0,0.0,0.0,0.0,0.0,886999.3125,0.0,0.0,0.0,0.0,263839.90625,0.0,0.0,0.0,0.0,0.0 "640.52675 Da 578.04 s",9.63,639.51948,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,0.0,0.0,159305.296875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,346481.21875,119263.4609375,0.0,0.0,0.0,0.0,0.0,0.0 "586.48011 Da 578.79 s",9.65,585.47284,"Estrone","C18H22O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,238627.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "601.49926 Da 579.23 s",9.65,600.49198,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",444930.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33391 Da 579.83 s",9.66,339.32663,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,777083.5625,382471.28125,278276.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34938 Da 581.14 s",9.69,365.34210,"Nervonic acid","C24H46O2",0.0,183030.078125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36512 Da 581.82 s",9.70,367.35785,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,477796.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1401639.125,0.0,0.0,414728.21875,0.0,0.0,0.0,0.0 "641.53113 Da 587.42 s",9.79,640.52386,"Imipramine","C19H24N2",0.0,1318024.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,279100.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "668.55734 Da 589.11 s",9.82,667.55006,"Eicosenoic acid","C20H38O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,33311.3984375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20456 Da 592.20 s",9.87,341.19729,"Zardaverine","C12H10F2N2O3",0.0,0.0,0.0,0.0,0.0,559794.9375,0.0,0.0,254274.3125,0.0,0.0,0.0,205810.0,0.0,0.0,302838.34375,0.0,260109.375,199065.5625,0.0,0.0,0.0,519504.90625,0.0,303155.3125,0.0,0.0,0.0,0.0,204640.953125,0.0,0.0,0.0,0.0,0.0,0.0 "284.27154 Da 595.01 s",9.92,283.26426,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1059960.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36529 Da 595.06 s",9.92,367.35802,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,523725.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,343161.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,377399.96875,455999.96875,0.0,0.0,0.0 "642.54271 Da 595.58 s",9.93,641.53544,"Stearic acid","C18H36O2",2085160.375,0.0,0.0,0.0,0.0,473822.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34984 Da 598.17 s",9.97,353.34256,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,323957.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,966889.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34891 Da 601.62 s",10.03,365.34163,"Nervonic acid","C24H46O2",0.0,327907.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25575 Da 605.37 s",10.09,281.24847,"Linoleic acid","C18H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1577239.375,0.0,0.0,0.0,0.0,0.0,5280223.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2415719.75 "642.54153 Da 607.90 s",10.13,641.53425,"Stearic acid","C18H36O2",0.0,1590046.25,0.0,0.0,221210.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,577274.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25622 Da 610.66 s",10.18,281.24894,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,0.0,3631589.75,0.0,0.0,0.0,1452200.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1432826.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1628548.75,0.0,0.0,0.0 "368.36514 Da 610.98 s",10.18,367.35787,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,552244.1875,0.0,0.0,0.0,0.0,0.0,0.0,3967130.5,0.0,0.0,0.0,1376469.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1291574.0,430842.125,0.0,0.0,240152.1875,0.0 "314.08636 Da 611.72 s",10.20,313.07908,"(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","C23H40O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1559796.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.52735 Da 612.16 s",10.20,639.52007,"Imipramine","C19H24N2",0.0,0.0,1350127.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1163453.625,0.0,0.0,804662.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,762910.125,0.0,0.0,286203.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27166 Da 614.63 s",10.24,283.26439,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1443141.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1526777.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2497590.25,1618788.75,0.0,2007267.5,0.0,0.0,0.0,0.0 "724.60245 Da 616.26 s",10.27,723.59517,"Stearic acid","C18H36O2",0.0,0.0,880196.8125,0.0,771335.9375,1007790.1875,0.0,0.0,0.0,0.0,865104.625,1274361.25,0.0,0.0,0.0,568060.625,1071548.5,0.0,0.0,0.0,927698.5,822374.5,854604.75,0.0,907291.9375,0.0,0.0,0.0,0.0,992832.25,818456.9375,1310946.875,0.0,0.0,1278281.0,1076639.875 "614.54860 Da 615.34 s",10.26,613.54132,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1562906.75,1356612.625,1849289.375,0.0,1187223.5,1190001.25,849512.625,0.0,877610.5625,1351418.375,1104412.5,1334350.5,644719.125,1400732.125,1177349.625,1164414.375,1190388.0,1551661.75,1042874.875,0.0,1452029.375,1666148.375,970183.6875,0.0,1029271.5625,1255608.5,1339250.25,1819070.875,1005616.0,1190409.75,989744.6875,929002.0625,1024361.6875,943889.0625,962486.6875,1537549.875 "397.39993 Da 614.44 s",10.24,396.39265,"Hexacosanoic acid","C26H52O2",0.0,433143.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,165460.578125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "280.23983 Da 615.06 s",10.25,279.23256,"Linoleic acid","C18H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,457454.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "268.23954 Da 620.46 s",10.34,267.23226,"methyl palmitoleate","C17H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,548122.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "257.24382 Da 621.71 s",10.36,256.23655,"Dodecanedioate","C12H22O4",0.0,0.0,0.0,0.0,0.0,588667.1875,0.0,499187.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1270153.625,1313109.0,0.0,0.0,467251.28125,648802.6875,0.0,0.0,0.0,0.0 "612.49649 Da 622.71 s",10.38,611.48921,"Estrone","C18H22O2",0.0,0.0,0.0,0.0,0.0,431121.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,138887.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33381 Da 625.50 s",10.42,339.32653,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,460866.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,248392.265625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "308.27124 Da 626.46 s",10.44,307.26396,"8,11,14-Eicosatrienoic acid","C20H34O2",730492.375,515826.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36524 Da 628.08 s",10.47,367.35796,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,944116.875,218208.21875,968101.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,744922.0,426857.3125,0.0,0.0,0.0,1487222.75,1419792.5,0.0,0.0,0.0,0.0,0.0,331210.125,0.0,0.0 "724.60261 Da 628.27 s",10.47,723.59533,"Stearic acid","C18H36O2",0.0,0.0,1520075.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.54912 Da 628.61 s",10.48,613.54185,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1950812.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.54863 Da 630.24 s",10.50,613.54136,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",2149098.25,1963017.875,1954481.75,1176500.375,1509727.5,1427489.5,1157714.75,1641749.125,1058338.375,1388053.75,1336237.625,1379080.25,947892.8125,2045420.0,1725262.75,1379751.375,1393161.125,1726999.125,1280580.625,1143744.875,1339593.125,1390768.125,1440585.375,1141695.25,1139946.875,1467109.625,1652352.5,2470991.25,1738048.75,1565201.125,1258405.125,1213572.125,1552865.0,1060411.75,1463349.0,1409519.25 "256.24026 Da 630.09 s",10.50,255.23298,"Nervonic acid","C24H46O2",2438438.0,2242282.0,2668126.0,1119232.375,1711501.625,2650622.0,1268649.5,1279144.875,965411.125,1388521.375,2220400.25,2176387.0,1276890.625,2048265.0,1843219.375,1904488.5,1531755.75,2032497.625,1695535.625,1781729.25,2331968.5,2424402.25,1997795.875,1795238.0,2391203.25,1517839.125,1676221.125,2140771.25,1452379.25,2714971.0,2293418.0,2294864.0,1735537.125,1313404.625,1529340.5,1429734.0 "584.46496 Da 628.40 s",10.47,583.45768,"Estrone","C18H22O2",377924.3125,183631.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "641.53081 Da 629.04 s",10.48,640.52354,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,421756.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,269206.40625,215976.390625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "671.57764 Da 629.35 s",10.49,670.57037,"2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid","C22H30O4",280608.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.56429 Da 629.75 s",10.50,639.55701,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,815576.4375,932485.125,0.0,0.0,0.0,0.0,0.0,812926.8125,0.0,0.0,926538.4375,964509.6875,868505.4375,936037.6875,0.0,0.0,707970.0625,694376.25,0.0,0.0,833484.125,814775.375,741980.3125,610685.8125,0.0,877216.8125,824052.3125,559526.625,0.0,0.0,0.0,0.0 "724.60312 Da 630.64 s",10.51,723.59585,"Stearic acid","C18H36O2",1532678.0,1316304.375,1665128.875,803916.5,1528771.125,1953085.625,1234597.0,977793.0,1128600.375,1596886.0,1872844.25,1904116.5,1331959.875,1240157.5,1316598.0,1634130.125,1296494.875,1568911.25,1251948.125,1069591.625,1694179.25,1751903.25,1753272.375,1300030.75,1763301.875,1517781.75,1420996.0,1565291.5,1471071.125,1887127.0,1612971.25,1792220.125,1227856.875,1283773.75,1740246.75,1708801.625 "284.27154 Da 631.71 s",10.53,283.26426,"Stearic acid","C18H36O2",1.059247E7,0.0,0.0,3095433.0,0.0,0.0,0.0,0.0,2296474.0,0.0,0.0,0.0,0.0,0.0,0.0,4121252.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4309614.5,2668854.75,5389253.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27127 Da 633.26 s",10.55,283.26400,"Vaccenic acid","C18H34O2",1514893.875,1420889.5,1741288.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1276276.25,1259174.25,1015631.125,0.0,1111403.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1024038.9375,951909.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.57848 Da 633.06 s",10.55,641.57121,"Stearic acid","C18H36O2",768791.3125,791442.125,873242.4375,0.0,1159534.875,682661.625,1198737.875,0.0,0.0,0.0,0.0,719333.9375,0.0,768030.9375,734735.9375,611637.125,793629.875,1040407.125,0.0,0.0,496550.78125,933736.1875,0.0,0.0,0.0,1029454.75,707801.1875,1351800.25,232230.84375,0.0,658997.1875,895266.6875,0.0,0.0,857225.3125,0.0 "282.25557 Da 631.46 s",10.52,281.24829,"Linoleic acid","C18H32O2",1334986.875,1274334.5,1367737.125,0.0,1134594.0,0.0,0.0,0.0,0.0,871368.75,0.0,1146525.0,0.0,1363676.25,1184443.25,1234319.625,1032642.0,1114712.125,0.0,0.0,909950.25,967644.5625,1114628.875,0.0,0.0,1057737.0,1062699.0,1303124.375,0.0,873856.75,0.0,856660.625,0.0,0.0,1007214.375,0.0 "614.54966 Da 632.91 s",10.55,613.54238,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1808555.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51190 Da 635.35 s",10.59,613.50462,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1018935.9375,0.0,0.0,0.0,522568.125,606423.875,0.0,0.0,281849.78125,0.0,0.0,0.0,0.0,1046792.8125,0.0,0.0,0.0,579933.5625,0.0,0.0,0.0,0.0,0.0 "254.22489 Da 636.03 s",10.60,253.21761,"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,6S,8R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","C48H82O19",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1069128.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,656832.0,0.0 "383.38449 Da 637.42 s",10.62,382.37721,"(6E,10Z,14E)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid","C20H26O4",0.0,0.0,1297904.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,158225.984375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25586 Da 636.55 s",10.61,269.24859,"Estrone","C18H22O2",0.0,0.0,0.0,0.0,1286040.875,0.0,596829.3125,0.0,468048.4375,344628.125,922808.9375,0.0,0.0,0.0,0.0,1095611.25,759776.5,0.0,0.0,587802.5625,0.0,398797.53125,418854.4375,772850.1875,0.0,0.0,1660395.25,0.0,0.0,573896.0625,658615.6875,865981.25,359025.4375,0.0,0.0,363380.59375 "512.28485 Da 638.22 s",10.64,511.27747,"8-benzoyl-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0?,??.0?,??]pentadeca-7(12),8,10-trien-9-ol","C23H24O4",1195339.625,1175848.625,1055108.0,0.0,0.0,0.0,1029423.25,1106213.125,1108151.0,1709582.75,1593834.375,1950907.75,1713829.625,848669.6875,1683526.375,0.0,0.0,1330157.625,1412794.625,1252032.125,0.0,1541691.875,1878840.25,1159827.375,2095590.5,0.0,1326145.625,0.0,0.0,0.0,0.0,2220087.75,1291495.125,1442238.75,1960215.75,1502776.25 "368.36537 Da 638.48 s",10.64,367.35809,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,573343.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1295130.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39593 Da 638.32 s",10.64,395.38865,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,863441.75,0.0,0.0,553726.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,425680.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.54266 Da 638.82 s",10.65,641.53539,"Stearic acid","C18H36O2",0.0,0.0,1167042.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "242.22475 Da 640.29 s",10.67,241.21748,"AM580","C22H25NO3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,404502.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33370 Da 642.32 s",10.71,339.32642,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,157674.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "638.51220 Da 642.85 s",10.71,637.50492,"Linoleic acid","C18H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,430722.625,362991.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "254.22477 Da 642.91 s",10.72,253.21749,"Leucylleucyltyrosine","C21H33N3O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,402089.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,351756.40625,0.0 "312.30229 Da 645.67 s",10.76,311.29501,"Arachidic acid","C20H40O2",1201422.625,0.0,911659.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,939239.6875,0.0,0.0,1019630.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,703007.9375,1124916.125,820791.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36524 Da 649.78 s",10.83,367.35797,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,506465.71875,0.0,0.0,0.0,0.0,886543.625,50523.3046875,0.0,0.0,0.0,0.0,0.0,0.0,463697.90625,1257642.75,0.0,0.0,0.0,0.0,2998330.5,0.0,0.0,0.0,0.0,0.0,391727.625,689571.25,0.0,0.0,0.0 "584.46568 Da 651.92 s",10.87,583.45841,"Adenosine 3',5'-diphosphate","C10H15N5O10P2",223207.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28679 Da 651.79 s",10.86,309.27951,"Eicosenoic acid","C20H38O2",931911.0625,0.0,835633.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1041294.375,0.0,0.0,1155423.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1615827.5,1264703.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "639.51554 Da 652.30 s",10.87,638.50826,"3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione","C10H10N2O2",0.0,252505.234375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,299618.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "420.24630 Da 652.71 s",10.88,419.23902,"Stearic acid","C18H36O2",0.0,0.0,0.0,1809170.875,1030728.25,1753351.25,1316781.625,1857440.25,1096272.75,0.0,0.0,1172654.625,0.0,0.0,0.0,1374059.875,0.0,1988954.625,1377157.0,0.0,1271511.625,1160104.75,1086045.5,850932.375,2246840.75,1348147.25,1374533.0,525144.8125,1471325.25,0.0,0.0,1721158.25,0.0,0.0,2106164.25,0.0 "396.39635 Da 652.74 s",10.88,395.38907,"Hexacosanoic acid","C26H52O2",2076281.0,1787654.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,785237.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1543896.625,0.0,1270048.75,207399.609375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "352.25868 Da 654.08 s",10.90,351.25141,"Sphinganine","C18H39NO2",0.0,0.0,3381787.5,0.0,0.0,3950040.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5490810.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "414.22930 Da 654.18 s",10.90,413.22202,"4-[2-(6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl)ethyl]-2-hydroxy-2H-furan-5-one","C20H30O6",0.0,0.0,0.0,1435022.25,2039020.5,1996926.375,2243827.25,2255084.75,2110715.5,2467490.5,1968068.625,2483354.5,1279530.0,0.0,0.0,1083804.75,0.0,0.0,0.0,2094687.5,2252091.0,1706651.375,1912808.875,2239406.5,1654023.25,1211759.125,708703.1875,0.0,1609113.25,1094586.125,1935523.5,0.0,1950506.125,2219711.5,1644724.5,0.0 "659.51524 Da 654.51 s",10.91,658.50796,"Stearic acid","C18H36O2",1895650.0,1529512.375,1745843.875,0.0,1642765.0,1673367.75,1728884.5,1624603.125,1424253.125,1209083.0,2097414.75,1221372.0,1865883.0,1196916.375,2056765.125,2072402.125,1714792.125,2210459.25,1858968.75,1932414.125,1703160.25,1415832.0,1725075.125,2118229.25,1767711.0,1198581.125,1627778.5,0.0,1426114.75,1840632.0,1730222.125,1103679.75,1972019.0,1559641.75,1957778.0,1564995.25 "642.57996 Da 655.35 s",10.92,641.57268,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4050340.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27188 Da 656.87 s",10.95,283.26460,"Stearic acid","C18H36O2",1.4581408E8,1.34894288E8,2.61860704E8,9711157.0,6.7395592E7,5.4087028E7,7.7317384E7,5.0974416E7,5.9076828E7,7.5762576E7,7.8745736E7,8.339648E7,6.1288012E7,1.34862496E8,1.525224E8,5.5601888E7,6.3198784E7,1.98089408E8,6.5956256E7,6.1436388E7,5.2150172E7,7.5070008E7,7.5756384E7,5.9158464E7,6.2900292E7,6.2233584E7,6.9946E7,3.95669952E8,1.04866968E8,5.808288E7,5.5347664E7,8.0695896E7,5.5453276E7,6.6337744E7,7.0852928E7,6.1586576E7 "568.54336 Da 656.73 s",10.95,567.53608,"Stearic acid","C18H36O2",1.1932261E7,1.1839415E7,3.3144012E7,0.0,4639754.0,3687067.75,5659337.5,3916716.0,4893681.0,5817170.0,6418343.5,6582098.5,5648630.5,1.2229311E7,1.5388582E7,3548642.75,4040717.75,2.2960308E7,4916919.0,4590743.0,3701117.0,5663795.5,6330790.5,5282580.0,4478837.0,4226736.5,4797441.0,3.1300222E7,8908115.0,5147503.0,3824416.0,5817286.5,3602496.5,4920641.5,5185724.5,5193308.0 "284.27177 Da 655.41 s",10.92,283.26449,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4764199E7,0.0,0.0,0.0,1.58459552E8,3.2283254E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27210 Da 655.68 s",10.93,283.26482,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.5402296E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.8195224E7,2.49403072E8,9.2553224E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27157 Da 656.72 s",10.95,283.26429,"Vaccenic acid","C18H34O2",6709987.5,4955198.0,1.2118972E7,0.0,3590378.0,3137585.0,1709860.5,929940.125,942647.4375,2200978.75,3064980.75,5321570.0,1383871.625,4778065.5,6836884.5,2993210.5,2994486.25,8027028.5,1352764.625,1120634.0,2313051.5,3010318.5,2595917.0,807788.4375,2347526.0,3498044.25,3073378.5,8936842.0,2938497.5,3708101.25,2210053.25,3737070.75,2086099.0,1215036.75,2861235.5,2363407.5 "568.54392 Da 656.08 s",10.93,567.53665,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5946488.5,0.0 "282.25567 Da 656.20 s",10.94,281.24840,"Linoleic acid","C18H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3249025.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "897.78231 Da 656.56 s",10.94,896.77503,"Cer[NS] d38:2","C38H73NO3",6501690.5,6619834.5,8302573.5,0.0,4252686.5,3089049.5,2569831.5,2627228.75,3490131.0,4420869.5,3776581.75,5403372.5,3058372.5,5578128.5,6843791.0,2026541.75,3401438.5,4586203.0,3384507.25,2383642.0,2739332.75,4108084.75,4292551.5,3242058.75,2929060.5,4260287.0,3658948.25,3802688.0,5060076.0,3248529.0,2638477.75,3724106.5,2819102.25,3664754.25,3818315.75,4088453.75 "590.52520 Da 656.65 s",10.94,589.51793,"Stearic acid","C18H36O2",1.5365385E7,1.5100172E7,2.1976646E7,1903522.375,8336903.0,7154524.5,9649025.0,6977893.5,7871130.0,1.0290402E7,9942600.0,1.0172617E7,8564888.0,1.559426E7,1.6119121E7,7409725.5,8396983.0,1.811626E7,8611922.0,7526952.0,7285279.0,9126659.0,9103363.0,7652463.0,8666743.0,8801516.0,9780641.0,2.1794112E7,1.2960261E7,8090559.5,7505358.0,1.1003935E7,7163712.0,1.1665275E7,8996698.0,8507587.0 "284.27224 Da 657.77 s",10.96,283.26497,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.8158E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.57987 Da 656.80 s",10.95,641.57259,"Stearic acid","C18H36O2",6967654.0,6228781.5,1.0234799E7,0.0,3598451.0,3176377.0,2032988.125,1130776.125,1148166.5,2654236.25,3064093.0,4873601.0,1472790.375,4944613.5,6170261.5,3313664.25,2223861.25,7393563.5,1304254.25,1140068.25,2157206.5,3093866.0,3684176.5,952371.8125,2683919.75,2810921.25,3624386.25,1.25181E7,3075602.5,3642505.75,2318568.5,3384895.25,1400177.75,1941547.25,3350627.25,2586546.0 "590.52532 Da 658.84 s",10.98,589.51805,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6802021.0,0.0,0.0 "569.54599 Da 657.05 s",10.95,568.53871,"Stearic acid","C18H36O2",1.4046865E7,1.2705041E7,1.9187156E7,0.0,4157667.5,3909432.75,5683028.0,3135405.0,3925007.25,6162914.0,6905014.5,6287792.0,5465453.5,1.1915478E7,1.5390828E7,3299324.0,3919884.5,2.0043064E7,4481463.0,4564590.0,3155550.5,5579499.0,6117574.5,4312284.0,4183049.75,3730355.5,5155164.0,1.4328384E7,9203313.0,4592728.5,3443303.25,5871295.5,4436738.0,4811771.0,6353682.5,4724134.0 "658.51265 Da 657.27 s",10.95,657.50537,"Stearic acid","C18H36O2",2506368.0,2141799.5,4073468.0,928217.5625,2435025.0,2140479.5,2379613.0,2047364.625,2132632.75,2354106.75,2132081.75,2680012.5,2376578.5,2847694.25,2792671.0,2222376.0,2256931.5,4816322.5,2047869.75,2151480.0,2077927.25,2292157.25,2857931.0,2451253.5,2206699.5,2536206.75,2806341.75,4323742.5,3184460.5,2764438.5,2359375.0,2404602.25,2173366.0,2542792.75,2590241.0,2183172.75 "352.25881 Da 657.26 s",10.95,351.25154,"Stearic acid","C18H36O2",3747002.0,3580513.5,3657662.0,1336802.75,3489208.5,3265827.75,4327548.5,3980257.25,3137515.5,4227768.0,3889291.75,3324011.5,3726237.5,3466310.5,3443663.75,3464385.0,3670727.25,4281212.5,4119161.0,3471624.5,4073921.25,3803625.0,4027272.5,3815329.75,4146902.0,3248365.25,3762831.25,3399410.75,4347012.5,4037752.75,4081067.0,3951407.5,3471579.75,3816793.75,3495558.5,4346904.0 "638.51205 Da 657.83 s",10.96,637.50477,"Imipramine","C19H24N2",0.0,0.0,938687.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,702304.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,563711.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24039 Da 659.49 s",10.99,255.23312,"Formononetin","C16H12O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9006857.0,0.0,0.0,0.0,0.0,5012849.5,2388339.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4516270.0,0.0,0.0,0.0,0.0,0.0,0.0 "414.22899 Da 660.80 s",11.01,413.22171,"Amisulpride","C17H27N3O4S",0.0,0.0,0.0,0.0,0.0,0.0,1151564.25,0.0,0.0,1460880.25,1813268.875,1969155.5,0.0,0.0,0.0,0.0,1252953.125,1181754.5,987900.8125,0.0,0.0,2034407.75,1625426.0,0.0,2171776.75,0.0,0.0,0.0,0.0,1000968.25,0.0,900331.375,0.0,0.0,0.0,1030326.9375 "340.33420 Da 662.00 s",11.03,339.32692,"Behenic acid","C22H44O2",1435128.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,261042.421875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,348922.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "420.24630 Da 661.32 s",11.02,419.23902,"Stearic acid","C18H36O2",2315114.25,2145351.0,1810353.375,0.0,1068700.875,0.0,1160318.375,1269190.125,1099511.875,913268.625,1157149.5,1274066.75,943781.75,2589601.75,2052445.125,2006393.25,1191629.5,1786244.375,1139036.125,1289720.25,0.0,1126031.625,1134529.0,2120677.0,1468808.125,1280769.75,1502654.625,0.0,1331562.25,976312.25,1054081.25,2228857.25,911468.1875,1221226.75,1936801.75,1213482.25 "612.49576 Da 662.13 s",11.04,611.48848,"Estrone","C18H22O2",0.0,0.0,0.0,336174.75,247186.21875,711345.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1541841.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "658.51257 Da 660.24 s",11.00,657.50529,"Stearic acid","C18H36O2",1696601.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5162737.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27104 Da 660.24 s",11.00,283.26376,"Vaccenic acid","C18H34O2",878172.8125,845077.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34914 Da 662.15 s",11.04,365.34187,"Nervonic acid","C24H46O2",422872.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "488.23414 Da 661.93 s",11.03,487.22687,"Stearic acid","C18H36O2",0.0,0.0,1129675.25,1573278.0,0.0,0.0,0.0,0.0,1340851.25,0.0,0.0,1017038.9375,0.0,1218720.125,1208227.125,868349.9375,1150914.875,1163275.25,0.0,1157709.0,0.0,0.0,1240811.875,1375031.75,1192438.875,559116.0625,0.0,0.0,1296348.125,1381609.0,387342.5625,1726841.75,516550.40625,0.0,1383289.625,1256062.375 "614.51185 Da 660.65 s",11.01,613.50458,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,363979.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,761285.4375,0.0,598831.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1254847.125,574321.5625,491902.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28679 Da 661.54 s",11.03,309.27951,"Eicosenoic acid","C20H38O2",0.0,0.0,1168869.5,0.0,1135620.625,1597618.125,1259640.75,1481853.125,0.0,1396943.75,1130772.125,1273501.0,1747017.75,1425831.25,2117301.5,1702891.875,1348046.375,2257631.25,1441528.875,1216157.0,0.0,1229055.75,1626843.125,0.0,1682193.375,2054011.875,2072809.25,3651501.5,1644479.5,1518156.0,1912475.75,1906629.75,1552415.5,1753433.0,1717772.25,1456809.25 "666.54313 Da 665.54 s",11.09,665.53585,"(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid","C23H40O5",0.0,833585.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,846813.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,206038.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34919 Da 667.12 s",11.12,365.34191,"Nervonic acid","C24H46O2",557099.6875,273649.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36494 Da 667.81 s",11.13,367.35766,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,1307525.875,0.0,0.0,0.0,0.0,0.0,0.0,4659767.5,2183603.0,0.0,0.0,0.0,0.0,0.0,785124.375,915711.5625,0.0,610728.6875,0.0,0.0,0.0,0.0,1435571.5,0.0,0.0,0.0,647997.6875,0.0,0.0,0.0 "282.25554 Da 668.32 s",11.14,281.24827,"N,O-Desmethyltramadol","C15H23NO2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4902379.5,1841121.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "257.24371 Da 670.37 s",11.17,256.23644,"2-acetoxy-6-pentadecylbenzoic acid","C24H38O4",0.0,2036846.375,1760419.625,0.0,910229.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,748927.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,666609.9375,0.0,537215.8125,632505.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "654.54263 Da 670.92 s",11.18,653.53536,"(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid","C54H86O24",0.0,0.0,152353.296875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.54226 Da 671.31 s",11.19,641.53498,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,238825.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39622 Da 672.64 s",11.21,395.38894,"Hexacosanoic acid","C26H52O2",0.0,1999534.25,0.0,0.0,920174.5625,0.0,586939.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,537433.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1439722.875,583961.4375,0.0,574776.75,0.0,0.0,0.0,0.0,0.0 "410.25348 Da 672.64 s",11.21,409.24621,"Alpha-Mangostin","C24H26O6",0.0,0.0,856412.375,0.0,0.0,0.0,1608790.5,1244351.625,0.0,1997107.375,1788864.25,1751176.625,1153913.0,0.0,1071953.875,0.0,0.0,1392227.375,0.0,1215068.125,0.0,3285415.0,2170631.75,0.0,2200300.25,0.0,0.0,0.0,0.0,0.0,0.0,2120432.75,0.0,0.0,1902070.125,3033826.5 "408.25475 Da 673.02 s",11.22,407.24747,"8-benzoyl-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0?,??.0?,??]pentadeca-7(12),8,10-trien-9-ol","C23H24O4",1.9988006E7,2.215667E7,3.106426E7,1756921.25,8056488.0,8293924.0,2.551011E7,2.3032398E7,2.1175064E7,5.1975996E7,5.3309564E7,5.3853236E7,2.4002502E7,2.1259882E7,2.4650086E7,8460297.0,9087920.0,3.2963154E7,2.0610034E7,2.1009502E7,6201200.0,4.7745488E7,5.8701296E7,2.0275346E7,6.1244292E7,7832160.5,1.9191236E7,2.0235346E7,1.9451586E7,7462760.5,7470473.5,5.5562936E7,1.7857248E7,2.357701E7,4.882226E7,4.1048868E7 "364.19189 Da 672.86 s",11.21,363.18461,"8-benzoyl-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0?,??.0?,??]pentadeca-7(12),8,10-trien-9-ol","C23H24O4",1758419.5,1723815.375,1950407.25,0.0,0.0,0.0,1626259.125,0.0,0.0,1805416.5,2112374.5,2338815.0,1050688.625,1345453.75,1491496.875,0.0,0.0,1469231.375,1152839.0,0.0,0.0,1658821.25,2221440.5,0.0,2187702.75,0.0,0.0,1276758.25,0.0,0.0,0.0,2506735.0,0.0,1375917.625,2569500.5,2203381.75 "410.25362 Da 673.13 s",11.22,409.24634,"4-[2-(6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl)ethyl]-2-hydroxy-2H-furan-5-one","C20H30O6",8256189.5,8600813.0,5571335.5,0.0,1786134.25,1620127.875,1.0547629E7,8701034.0,8215385.5,7922295.0,2.2033418E7,2.1467484E7,9051452.0,8177764.0,9451714.0,3475483.75,3211351.5,1.3616786E7,7957736.0,8641269.0,1580641.875,2.0853124E7,8547876.0,8284951.5,2.4633826E7,2873343.5,8718809.0,8158114.5,3217227.25,3094719.5,1734974.375,2.1793174E7,7462043.5,9010791.0,1.9957864E7,1.604084E7 "352.25832 Da 674.02 s",11.23,351.25104,"Sphinganine","C18H39NO2",0.0,0.0,1600143.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1165842.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,344356.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33394 Da 674.06 s",11.23,339.32666,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,388590.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51146 Da 674.60 s",11.24,613.50418,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,1670592.5,0.0,0.0,420210.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "488.23409 Da 676.22 s",11.27,487.22682,"Stearic acid","C18H36O2",0.0,0.0,558773.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,650482.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "420.24599 Da 677.51 s",11.29,419.23871,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,355556.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24060 Da 677.81 s",11.30,255.23332,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1984867.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3716345.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2936525.0,0.0 "612.49647 Da 678.52 s",11.31,611.48920,"Pregnenolone sulfate","C21H32O5S",0.0,1531727.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.37009 Da 680.75 s",11.35,425.36281,"N-Alpha-acetyllysine","C8H16N2O3",0.0,113392.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "670.57438 Da 680.11 s",11.34,669.56710,"(3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid","C20H36O3",0.0,779955.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27150 Da 680.59 s",11.34,283.26422,"Flavonol base + 4O, O-Hex-dHex, O-Hex","C33H40O21",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2188297.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1984500.625,0.0,0.0,0.0,0.0,0.0,0.0 "280.24018 Da 683.26 s",11.39,279.23290,"7,4'-Dihydroxyflavone","C15H10O4",0.0,1781571.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,777514.6875,0.0,286520.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36521 Da 684.79 s",11.41,367.35793,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,1199401.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,848634.75,1028558.9375,0.0,459295.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,484388.78125,0.0,0.0,0.0,0.0 "352.25845 Da 685.09 s",11.42,351.25117,"Stearic acid","C18H36O2",457007.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "408.25442 Da 685.61 s",11.43,407.24714,"8-benzoyl-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0?,??.0?,??]pentadeca-7(12),8,10-trien-9-ol","C23H24O4",0.0,1068309.125,1127792.5,0.0,0.0,0.0,1348515.25,0.0,1770317.375,0.0,2701998.75,2781218.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2576407.25,0.0,1426038.875,3526778.5,0.0,0.0,0.0,0.0,0.0,0.0,1413711.875,0.0,0.0,0.0,0.0 "257.24365 Da 685.91 s",11.43,256.23638,"Pelargonate","C9H18O2",0.0,0.0,0.0,722933.5,771709.3125,354449.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,713967.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,663201.4375,0.0,0.0,394999.34375,0.0,0.0,0.0,0.0,0.0 "383.38427 Da 688.63 s",11.48,382.37700,"Heneicosanoic acid","C21H42O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,644805.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.37005 Da 692.16 s",11.54,425.36277,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",166938.453125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "254.22493 Da 693.23 s",11.55,253.21766,"Palmitoleic acid","C16H30O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1023786.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,484019.09375 "420.24583 Da 695.86 s",11.60,419.23856,"Stearic acid","C18H36O2",0.0,0.0,381162.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34921 Da 696.53 s",11.61,353.34193,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,559347.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39598 Da 697.35 s",11.62,395.38871,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,1015618.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,421186.71875,528737.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,756794.375,0.0,0.0,0.0,0.0,0.0 "340.33458 Da 698.03 s",11.63,339.32730,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,228893.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "326.31842 Da 698.09 s",11.63,325.31114,"Heneicosanoic acid","C21H42O2",4226206.0,3433076.0,6049545.5,0.0,0.0,0.0,0.0,0.0,0.0,1337756.25,1540995.375,975828.0,0.0,4739869.0,3789436.75,0.0,0.0,5151781.0,0.0,0.0,0.0,1366289.0,1529576.125,0.0,1695978.5,0.0,2832910.25,6601211.5,2910460.0,0.0,0.0,1578526.25,0.0,0.0,1330596.625,1084904.0 "643.54650 Da 699.83 s",11.66,642.53923,"Pentasaccharides (Hex-Hex-Hex-Hex-Hex)","C30H52O26",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,347715.34375,294248.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "408.25458 Da 702.65 s",11.71,407.24730,"8-benzoyl-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0?,??.0?,??]pentadeca-7(12),8,10-trien-9-ol","C23H24O4",1078253.375,925470.5625,0.0,0.0,0.0,0.0,1317206.25,1270259.5,1112652.0,2697713.75,0.0,0.0,1061398.25,885638.125,1081412.25,0.0,0.0,1387504.25,949876.625,821931.9375,0.0,0.0,1234731.125,1120756.625,0.0,0.0,565825.5625,366356.71875,508286.09375,0.0,0.0,0.0,910445.5,1309592.0,0.0,1818600.875 "284.27159 Da 706.49 s",11.77,283.26431,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3750609.5,0.0,3181752.75,0.0,0.0,0.0,2793046.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2068934.0 "426.37046 Da 706.87 s",11.78,425.36318,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",307416.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "268.24123 Da 708.56 s",11.81,267.23395,"2,3-Pyridinedicarboxylate","C7H5NO4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,684979.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30253 Da 707.35 s",11.79,311.29525,"Arachidic acid","C20H40O2",0.0,0.0,544260.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,655428.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36555 Da 708.61 s",11.81,367.35827,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,560432.3125,956503.125,943912.4375,470134.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,893878.5625,511262.59375,0.0,0.0,3041037.25,0.0,0.0,0.0,0.0,1190127.375,0.0,1024444.75,0.0,0.0,0.0 "412.35479 Da 710.68 s",11.84,411.34751,"10-Hydroxydecanoic acid","C10H20O3",261943.390625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33391 Da 710.90 s",11.85,339.32663,"Behenic acid","C22H44O2",1518227.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,216027.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,758468.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25591 Da 713.94 s",11.90,269.24863,"Estrone","C18H22O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,878257.0625,0.0,0.0,0.0,0.0,0.0,680585.1875,626687.0,0.0,0.0,406046.03125,0.0,0.0,495681.75,992228.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,193644.71875 "354.34913 Da 714.10 s",11.90,353.34185,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,259724.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39631 Da 715.24 s",11.92,395.38904,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,325129.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,832284.25,493340.71875,451397.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,854994.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "268.24021 Da 718.74 s",11.98,267.23294,"Hexadecanedioic acid","C16H30O4",0.0,0.0,886819.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,653066.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,448025.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "600.49680 Da 719.06 s",11.98,599.48952,"Estrone","C18H22O2",0.0,0.0,591792.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,956767.75,0.0,349998.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,387624.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "628.52884 Da 719.53 s",11.99,627.52156,"7-[3-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(4-methoxyphenyl)chromen-4-one","C27H30O13",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,858366.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,397768.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30150 Da 720.09 s",12.00,311.29422,"Arachidic acid","C20H40O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,479338.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,904748.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36469 Da 720.26 s",12.00,367.35742,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,390375.5,0.0,0.0,0.0,0.0 "868.52605 Da 722.35 s",12.04,867.51878,"PG 44:11","C50H77O10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1361213.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33936 Da 721.28 s",12.02,397.33208,"N-Alpha-acetyllysine","C8H16N2O3",0.0,0.0,0.0,0.0,0.0,0.0,1340419.375,854918.75,874509.875,0.0,0.0,0.0,0.0,237114.6875,846034.625,509529.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,596669.0,548182.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "842.50992 Da 721.45 s",12.02,841.50264,"PG 42:10","C48H75O10P",0.0,0.0,0.0,0.0,898508.9375,1007378.8125,892353.1875,601271.25,686281.625,1156144.25,968696.0625,720038.375,0.0,0.0,0.0,781293.625,674691.625,633328.0,983213.0625,0.0,711892.375,1102790.625,686638.625,943572.625,863869.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33380 Da 721.84 s",12.03,339.32652,"Behenic acid","C22H44O2",3129120.75,2062989.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,828057.875,0.0,0.0,1351095.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1522177.75,2109293.5,1479528.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "868.52577 Da 724.74 s",12.08,867.51850,"PG 44:11","C50H77O10P",0.0,842085.9375,730822.125,0.0,1409362.375,1796280.875,1450920.375,1202871.375,1402672.625,1574955.625,1674007.375,1450211.5,0.0,553327.5625,622512.0,1838781.75,1729783.875,1262529.25,1479132.125,1255524.75,1056293.125,1006631.1875,1262552.25,996369.875,1819601.125,1147479.0,0.0,0.0,0.0,1125999.25,726220.0,932229.5,0.0,0.0,0.0,0.0 "408.30265 Da 724.82 s",12.08,407.29537,"Cholic acid","C24H40O5",1.602983E7,1.3543708E7,2.0331104E7,0.0,0.0,0.0,0.0,0.0,0.0,1726231.625,1282426.0,0.0,0.0,1.677789E7,1.3880351E7,0.0,0.0,1.896013E7,0.0,0.0,0.0,0.0,914129.125,0.0,1399270.0,0.0,1.1381301E7,2.455091E7,1.0881473E7,0.0,0.0,1278265.25,0.0,0.0,0.0,0.0 "368.36490 Da 725.76 s",12.10,367.35763,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,162540.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,521231.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,362875.53125,0.0,0.0,0.0,0.0 "366.34905 Da 724.23 s",12.07,365.34178,"Nervonic acid","C24H46O2",532039.0,385336.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "326.31801 Da 726.11 s",12.10,325.31074,"Heneicosanoic acid","C21H42O2",527586.1875,439345.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,496739.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,890777.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "612.49571 Da 727.15 s",12.12,611.48843,"Aliskiren","C30H53N3O6",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1596257.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,400317.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41172 Da 728.46 s",12.14,409.40445,"Squalene","C30H50",476656.09375,0.0,142293.140625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,176079.421875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34931 Da 728.78 s",12.15,365.34203,"Nervonic acid","C24H46O2",0.0,744849.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,692462.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25591 Da 731.14 s",12.19,269.24863,"Estrone","C18H22O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,345904.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,640461.8125,0.0,0.0,0.0,0.0,917155.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,470082.9375,0.0,0.0,0.0,0.0,0.0 "340.33389 Da 732.27 s",12.20,339.32662,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,616124.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36521 Da 732.23 s",12.20,367.35794,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,257070.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,173109.453125,0.0,0.0,0.0,0.0,0.0,1342093.75,0.0,0.0,996979.75,298717.21875,0.0,0.0 "370.30772 Da 733.31 s",12.22,369.30045,"(6E,10Z,14E)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid","C20H26O4",0.0,128322.5234375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39625 Da 736.19 s",12.27,395.38897,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,1007940.6875,0.0,0.0,0.0,81738.109375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,801279.9375,376299.71875,277973.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,205145.921875,0.0,421375.6875,0.0,0.0,0.0,0.0,0.0 "410.41172 Da 739.67 s",12.33,409.40444,"Squalene","C30H50",0.0,0.0,279164.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34959 Da 739.84 s",12.33,353.34231,"Tricosanoic acid","C23H46O2",1519298.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,327670.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,364614.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36841 Da 739.86 s",12.33,368.36113,"Docosyl acetate","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1263646.25,533823.3125,379584.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,182439.71875,213984.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25594 Da 743.29 s",12.39,269.24867,"Forsythoside G","C35H46O19",0.0,0.0,0.0,0.0,0.0,0.0,0.0,662160.375,253246.71875,0.0,0.0,465628.5625,0.0,0.0,0.0,0.0,521412.1875,0.0,0.0,737948.875,378973.625,0.0,0.0,0.0,0.0,0.0,1509419.375,0.0,1045283.9375,0.0,185391.453125,0.0,316502.8125,420613.4375,0.0,0.0 "655.30940 Da 743.80 s",12.40,654.30212,"2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid","C22H30O4",2145738.0,2219080.25,2522284.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1280943.25,0.0,2227098.25,2759097.5,0.0,0.0,3076506.0,0.0,0.0,0.0,1176161.5,1057432.75,0.0,1133259.75,0.0,2644613.25,2226182.25,2268904.75,0.0,0.0,2137724.0,0.0,0.0,1293835.125,1067383.0 "256.24000 Da 745.81 s",12.43,255.23273,"FAPy-adenine","C5H7N5O",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3142293.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3654887.75,0.0,0.0,0.0,0.0,3428571.0,0.0,0.0,4385966.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "338.31826 Da 748.52 s",12.48,337.31098,"1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine","C49H94NO8P",0.0,1415404.125,1127375.125,0.0,0.0,0.0,1178584.75,1451905.75,0.0,0.0,1398284.375,1280889.375,0.0,558307.8125,842298.0,1053995.625,0.0,1711306.125,0.0,0.0,1201240.375,0.0,1378255.625,0.0,1319571.25,844418.6875,1327920.125,1288535.25,1062376.75,0.0,0.0,1501685.375,0.0,1239500.75,1151095.5,0.0 "312.30277 Da 748.86 s",12.48,311.29550,"Chlorothalonil-TP SYN507900","C8H3Cl3N2O2",0.0,0.0,3210124.5,0.0,1396017.125,1132431.75,1736395.625,2164297.75,1680640.875,1447204.5,1710382.0,1871358.625,1443050.0,0.0,1530996.875,1224179.5,1077013.375,2064466.875,1575104.625,1492256.875,1245761.625,1559654.5,1919887.25,1519760.125,1539953.0,1378164.25,1414388.75,3791234.5,1209668.875,1298116.25,1408426.75,1786606.75,1322504.125,1460348.875,1501046.125,1621926.5 "906.52730 Da 749.03 s",12.48,905.52002,"PI 40:8","C49H79O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,878803.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,873501.5,0.0,0.0,0.0,0.0,0.0,824099.375,726341.4375,732155.9375,760422.4375,0.0 "282.25590 Da 750.62 s",12.51,281.24863,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,1952759.75,3156714.0,0.0,0.0,0.0,2058116.5,1994805.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2963818.5,0.0,0.0,0.0,1099291.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2364867.5,2167521.5,0.0,0.0 "368.36527 Da 753.05 s",12.55,367.35800,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,610982.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,195462.890625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1458889.0,0.0,0.0,0.0,0.0,358020.0625,370291.75,0.0,0.0 "794.50947 Da 753.46 s",12.56,793.50219,"PG 18:1_20:5","C44H75O10P",0.0,0.0,0.0,0.0,557838.625,579452.9375,0.0,0.0,0.0,861705.0625,491030.71875,886871.5625,0.0,0.0,0.0,1030135.375,814020.25,0.0,0.0,0.0,842760.0,468409.625,861168.125,0.0,970334.25,499512.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "856.51061 Da 755.68 s",12.59,855.50333,"PI 36:5","C45H77O13P",0.0,0.0,0.0,0.0,1417674.75,1497905.875,1573024.0,913393.5625,1251816.125,1511288.125,0.0,1788608.75,1213769.625,0.0,0.0,1605374.0,1551345.25,1387768.5,1342420.5,0.0,784361.875,0.0,1518991.0,0.0,1876541.875,844216.5625,0.0,1383628.5,799846.5625,0.0,1204515.125,1094880.375,1485994.25,1574725.0,0.0,1161707.75 "626.51186 Da 755.48 s",12.59,625.50458,"Hexadecanedioic acid","C16H30O4",0.0,1147376.5,0.0,300878.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,396434.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "857.51474 Da 755.53 s",12.59,856.50746,"PI 36:5","C45H77O13P",0.0,0.0,0.0,0.0,699031.0,785714.375,589794.4375,766469.0,0.0,925998.3125,0.0,961043.0,1094328.625,585651.75,0.0,0.0,919481.625,844690.875,0.0,711171.5,0.0,0.0,847945.9375,0.0,1093434.5,956063.4375,915279.8125,626118.375,960007.0,0.0,0.0,0.0,0.0,864038.6875,0.0,0.0 "612.49629 Da 759.14 s",12.65,611.48902,"(Z)-Hexadec-9-enoic acid","C16H30O2",0.0,0.0,1083549.5,285157.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,244239.078125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,457240.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "900.57135 Da 759.35 s",12.66,899.56407,"PG 42:11","C48H73O10P",0.0,0.0,0.0,0.0,0.0,0.0,489688.84375,718652.0625,910427.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,840600.0,825893.25,866192.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "899.56822 Da 760.54 s",12.68,898.56094,"PS 40:4","C46H82NO10P",0.0,0.0,0.0,0.0,0.0,889617.5,821920.5,1060935.625,1027919.3125,799745.375,777598.375,0.0,0.0,922768.1875,0.0,893385.5625,1065711.75,858933.75,851817.125,1355848.375,0.0,0.0,1035364.6875,660619.3125,691624.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,860507.875,832108.1875,0.0,0.0 "396.39623 Da 761.59 s",12.69,395.38895,"Hexacosanoic acid","C26H52O2",2234840.0,0.0,0.0,0.0,0.0,1075419.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,410218.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1524771.5,361016.8125,273463.59375,0.0,0.0,0.0,0.0,0.0,0.0 "312.30275 Da 762.16 s",12.70,311.29548,"Arachidic acid","C20H40O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,705868.25,618852.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "823.53709 Da 762.65 s",12.71,822.52981,"PC 36:6","C44H76NO8P",0.0,711613.625,0.0,0.0,0.0,0.0,0.0,928788.8125,0.0,0.0,0.0,0.0,1063545.5,1123785.0,1067818.25,1018993.5625,0.0,0.0,0.0,0.0,0.0,0.0,1162093.375,0.0,0.0,0.0,1708896.625,865377.1875,834937.25,1127293.0,0.0,1004243.0,1218628.625,671637.9375,657515.1875,0.0 "614.51188 Da 764.37 s",12.74,613.50460,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,177846.9375,0.0,324212.25,0.0,0.0,0.0,0.0,0.0 "640.52680 Da 762.43 s",12.71,639.51953,"Imipramine","C19H24N2",2164063.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,313828.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,176757.390625,0.0,0.0,0.0,0.0,0.0,0.0 "368.36516 Da 766.06 s",12.77,367.35788,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,271545.125,0.0,0.0,0.0,0.0,2235441.75,0.0,0.0,0.0,361145.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1622178.0,0.0,1333494.875,0.0,0.0,375358.84375,0.0,0.0,0.0,0.0 "773.52125 Da 766.18 s",12.77,772.51397,"PC 32:3","C40H74NO8P",0.0,0.0,0.0,0.0,0.0,0.0,698504.9375,811150.5625,808465.625,0.0,385405.34375,618144.6875,777086.8125,0.0,0.0,0.0,0.0,0.0,893462.3125,0.0,0.0,0.0,0.0,772041.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,938694.3125,736538.25,0.0,0.0,0.0 "856.51053 Da 766.92 s",12.78,855.50326,"PI 36:5","C45H77O13P",0.0,1284760.0,784327.4375,0.0,1160284.375,1691504.125,1471224.625,1159286.25,1347779.25,1435316.125,1646823.875,1580100.875,1798698.5,982076.3125,1349195.25,1357725.375,1354180.75,1297260.25,1727268.75,1143584.625,1301700.875,1247228.625,1353063.75,1215364.125,1701943.125,1935883.25,1040992.4375,1110718.375,1272085.5,1366415.875,1499199.25,1998670.75,1685995.75,2067625.0,1004277.0625,1400124.375 "856.50978 Da 768.92 s",12.82,855.50250,"PI 36:5","C45H77O13P",0.0,0.0,0.0,0.0,0.0,1630198.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "794.50983 Da 768.70 s",12.81,793.50256,"PG 16:0_22:6","C44H75O10P",0.0,993174.25,756515.5625,0.0,979483.375,1307014.375,1296487.625,1105071.875,1298520.875,1470591.625,1219735.125,1446637.0,622787.1875,1357846.25,914956.0,1085938.5,1250833.75,850052.5625,1291394.5,1202918.0,755788.125,640805.4375,1241163.875,891705.75,1443894.875,724732.0,0.0,0.0,0.0,742635.375,777416.5625,783284.5,630424.5,832520.6875,599644.25,721467.875 "882.52559 Da 766.81 s",12.78,881.51831,"(4aS,6aS,6bR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","C46H74O16",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1021235.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "884.53298 Da 769.15 s",12.82,883.52571,"PI 38:5","C47H81O13P",0.0,0.0,0.0,0.0,530450.875,863141.375,932690.875,855930.1875,0.0,857798.0,895832.875,0.0,1783375.125,658853.5625,0.0,795875.5,731351.875,0.0,621582.125,693691.5625,0.0,0.0,796878.625,0.0,660034.25,1113009.125,1263219.625,787746.8125,703643.75,1140272.75,815024.3125,1777882.75,1813326.125,1229457.5,1324354.0,1021396.4375 "882.52621 Da 769.57 s",12.83,881.51894,"PI 38:6","C47H79O13P",610295.1875,980359.125,847699.9375,808959.0,1414427.25,1586565.75,2333963.75,1567897.75,1313169.375,1789587.0,1392327.125,1459301.625,3665418.5,1210069.625,1426243.375,1370441.125,1611388.375,919489.375,1387216.625,1859957.75,1353986.0,845159.3125,1681609.125,1504741.125,1542901.75,3481989.75,2311963.0,1673010.0,1998209.5,2663141.75,1600953.25,3566977.5,4101779.75,2675718.25,2553218.75,1678025.375 "950.51377 Da 769.69 s",12.83,949.50650,"NCGC00347379-02_C46H74O16_Olean-12-en-28-oic acid, 23-hydroxy-3-[[O-beta-D-xylopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy]-, (3beta,5xi,9xi)-","C46H74O16",0.0,0.0,0.0,0.0,726601.0,753130.0,1069304.75,789209.0625,686251.5,791560.625,581663.6875,829603.0,874952.875,0.0,0.0,818211.5,771580.375,696493.9375,818779.4375,541492.3125,0.0,0.0,786259.8125,674387.6875,683881.125,522450.25,840109.5625,562978.9375,670054.0,1072706.5,475432.53125,848890.5,922521.4375,792135.875,1218430.875,605303.1875 "1018.50168 Da 769.96 s",12.83,1017.49441,"(4aS,6aS,6bR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","C46H74O16",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,804438.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,408901.40625,688059.875,0.0,677158.875,688216.375,0.0,759537.8125,617951.125,725025.625,683951.125,0.0 "822.59742 Da 770.05 s",12.83,821.59014,"Glycyrrhizate","C42H62O16",1585038.5,1579431.25,2224608.75,0.0,0.0,0.0,825228.3125,1075517.375,1190946.375,841273.8125,967615.1875,1028521.375,785566.8125,1335698.75,1417581.75,0.0,0.0,2182545.25,663640.4375,1154407.125,0.0,961721.6875,1024631.1875,1033146.125,1262938.75,0.0,1401180.25,1954817.5,1312485.125,0.0,0.0,1123202.5,664460.0,702183.5625,969157.0625,814077.9375 "888.51299 Da 771.35 s",12.86,887.50571,"[2.3-dihydroxypropoxy][2-[docosa-4.7.10.13.16.19-hexaenoyloxy]-3-[octadec-9-enoyloxy]propoxy]phosphinic acid","C46H77O10P",0.0,912792.4375,0.0,693713.625,1158005.0,1147299.875,1170339.0,1006874.125,1146675.375,1446460.375,1333426.0,1326782.375,857821.0625,972310.8125,836130.4375,1169046.75,1006915.6875,1313662.75,1079346.0,1148293.25,867339.4375,826838.875,1285471.125,929185.875,1148236.0,935797.8125,0.0,0.0,0.0,1381685.875,917635.375,642797.25,1072645.75,1140156.125,897248.625,746690.875 "820.52526 Da 771.55 s",12.86,819.51798,"PG 18:1_22:6","C46H77O10P",728077.9375,2060322.5,1068932.875,1212313.5,3721169.25,5221344.5,4826442.0,3727795.5,3852330.75,5175090.5,4251433.0,4520031.0,2002237.875,1992066.25,1682994.5,4967735.0,4682378.5,2730972.5,3454802.5,3098070.0,2630773.75,2219474.25,4866404.5,3234291.25,5570892.5,3025507.5,1231696.0,1534203.5,1407285.375,2391523.25,2631041.25,2605222.5,1879290.75,1949567.5,1606074.25,2021687.0 "882.52540 Da 773.50 s",12.89,881.51813,"PI 38:6","C47H79O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,928953.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1685574.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "600.49666 Da 772.09 s",12.87,599.48938,"(1R,21S,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0?,?.0??,??]tricosa-4(9),5,7,10(15),11,13-hexaen-21-yl 3,4,5-trihydroxybenzoate","C27H22O18",0.0,0.0,1055751.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,481031.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "822.59788 Da 772.34 s",12.87,821.59061,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1413494.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "849.55270 Da 771.80 s",12.86,848.54542,"PC 38:7","C46H78NO8P",0.0,1155232.75,0.0,0.0,1197417.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,906325.5625,0.0,883284.875,1466195.75,0.0,1148616.125,0.0,829180.375,0.0,0.0,0.0,1432240.25,1070942.125,1057549.875,0.0,0.0,0.0,1125632.125,0.0,1231476.75,1064606.375,0.0,859076.5625,0.0 "823.53688 Da 777.27 s",12.95,822.52960,"PC 36:6","C44H76NO8P",0.0,0.0,635901.3125,0.0,1252375.0,1199456.75,1201844.75,0.0,1019249.375,1167255.125,1618357.75,875182.6875,1306107.0,718528.8125,1111095.5,0.0,1283267.5,1828656.875,1079965.25,1976761.75,1093465.625,766651.6875,1519154.125,1255922.75,1055968.5,809067.875,718425.6875,0.0,1118431.5,0.0,1003764.25,0.0,1121141.25,0.0,0.0,761152.6875 "908.54252 Da 776.67 s",12.94,907.53524,"PI 40:7","C49H81O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,736939.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,842624.9375,0.0,0.0,0.0,606709.5625,0.0,885604.1875,837372.875,835724.375,529074.3125,0.0 "899.56800 Da 777.61 s",12.96,898.56072,"PS 40:4","C46H82NO10P",0.0,744321.4375,665932.5,0.0,1520734.0,995105.3125,999931.75,1044193.875,957207.0625,1377495.25,1224637.875,831056.9375,1084398.25,791847.5,1056173.25,1067608.0,1052986.5,1442333.0,1230306.75,982815.875,829227.25,682047.75,1073475.25,1143204.25,1308185.25,1019367.5,871008.375,772675.4375,1291140.25,1310865.5,1273431.625,1009421.9375,1365727.875,1147636.875,892014.6875,1118750.625 "858.52566 Da 774.62 s",12.91,857.51839,"PI 36:4","C45H79O13P",0.0,0.0,0.0,0.0,556886.25,623032.9375,881392.875,577765.0,690336.4375,409445.875,462207.84375,664212.8125,1565544.5,615858.4375,337517.5,662106.0,760980.5625,345653.78125,681813.0,561745.3125,484007.8125,506418.75,894201.0,622975.0,857822.0,1217603.25,0.0,1073751.125,1171589.25,932380.3125,686525.625,1636051.375,1595204.625,1333371.25,1117960.5,1043119.375 "354.34959 Da 775.66 s",12.93,353.34232,"Tricosanoic acid","C23H46O2",1608054.25,0.0,4005441.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1379615.25,1184341.75,506283.65625,0.0,1315375.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,651807.0625,1636981.25,728369.75,0.0,0.0,422907.90625,0.0,0.0,0.0,0.0 "799.53567 Da 777.60 s",12.96,798.52840,"PC 16:1_18:3","C42H76NO8P",0.0,754237.1875,0.0,0.0,736111.0625,792811.5,1364146.125,927504.8125,368317.625,1339415.0,1130439.125,797519.625,1478031.0,916746.0,770572.9375,834077.9375,764610.0625,555543.875,927512.4375,1115781.125,776810.75,782556.8125,1227826.0,956848.375,798162.6875,963079.6875,958236.75,0.0,944654.0,636447.25,432210.6875,1462384.0,1321341.5,1058161.125,849225.375,0.0 "398.33930 Da 776.50 s",12.94,397.33202,"Ethyldodecanoate","C14H28O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,239693.96875,450693.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,282356.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "900.57142 Da 778.65 s",12.98,899.56414,"PG 42:11","C48H73O10P",0.0,875627.375,0.0,0.0,1023824.75,1070796.625,1005442.8125,1481874.25,1050279.25,639783.5,911671.0,963917.875,1110260.75,953539.1875,928867.375,1271746.5,1373107.25,1185420.75,773585.25,1178718.0,792552.3125,834790.5,1035952.25,1068062.375,1052987.5,1254129.75,945952.375,0.0,761211.1875,1260966.5,1011190.6875,1541637.625,1444669.5,1428080.375,482474.625,0.0 "396.39626 Da 777.31 s",12.96,395.38898,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,658995.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,205498.203125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,676364.875,0.0,0.0,0.0,0.0,0.0 "849.55235 Da 781.44 s",13.02,848.54508,"PC 16:1_22:6","C46H78NO8P",0.0,1080892.375,1122549.875,752537.1875,1156885.125,1202219.75,1412407.5,1604238.75,1085566.75,1638391.25,1644275.625,1125596.875,2429377.25,1223434.375,1221116.25,1239612.0,1405360.0,1180856.75,1209629.375,1578181.0,965420.875,1191441.0,1741707.75,1325984.625,1393233.5,1984358.25,1657186.375,1104534.75,1757733.375,1323647.125,1295364.75,2733424.0,2596480.25,1754996.375,1663847.0,1037093.75 "823.53965 Da 779.80 s",13.00,822.53237,"PC 36:6","C44H76NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,905402.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "870.52637 Da 780.03 s",13.00,869.51909,"Furostane base -1H2O -2H + 1O, O-Hex, O-Pen-dHex","C44H70O17",0.0,1406481.125,0.0,0.0,1284782.625,648679.8125,903387.375,1039709.1875,626053.9375,676476.125,1006771.1875,736371.0625,1220718.375,800584.625,852921.8125,1375697.25,735417.625,831923.4375,598867.3125,872852.625,752326.1875,666870.4375,962191.5,950571.9375,842465.8125,1414728.875,514026.21875,1006095.6875,881259.0625,1130524.375,1015428.1875,698821.75,711188.875,1174053.25,1114922.375,463748.84375 "825.54911 Da 782.49 s",13.04,824.54183,"Linoleic acid","C18H32O2",0.0,0.0,0.0,0.0,684646.75,614030.375,1134041.125,1042424.625,721231.0625,1168333.375,1096801.5,749051.5625,0.0,815738.1875,666613.625,879897.0625,1184043.0,0.0,610245.0,989593.125,608060.125,815221.8125,1209448.125,825993.6875,0.0,533994.25,0.0,0.0,0.0,642001.4375,0.0,942464.25,0.0,1042325.0625,0.0,0.0 "870.52638 Da 781.19 s",13.02,869.51910,"Furostane base -1H2O -2H + 1O, O-Hex, O-Pen-dHex","C44H70O17",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,767770.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "773.52147 Da 781.65 s",13.03,772.51419,"PC 32:3","C40H74NO8P",0.0,0.0,0.0,0.0,744381.5,0.0,0.0,0.0,610691.0625,0.0,785912.3125,0.0,0.0,770541.1875,0.0,0.0,0.0,0.0,0.0,460307.65625,0.0,608401.5625,0.0,644505.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,988291.1875,696441.875,0.0,0.0 "849.55307 Da 784.88 s",13.08,848.54580,"PG 40:6","C46H79O10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,944716.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1149798.75 "811.53543 Da 785.33 s",13.09,810.52815,"Abietic acid","C20H30O2",0.0,0.0,0.0,0.0,0.0,389987.4375,0.0,0.0,815207.875,0.0,0.0,697281.6875,0.0,0.0,0.0,522281.65625,671458.0,0.0,495254.90625,0.0,0.0,0.0,0.0,0.0,867213.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "882.52611 Da 786.43 s",13.11,881.51883,"PI 38:6","C47H79O13P",981476.0625,1648406.875,1966416.375,1050193.5,2453874.75,3703519.75,3923379.5,1940167.75,3373950.25,4482647.0,2122018.75,4639726.5,2376545.75,2577474.0,1536134.125,4486170.5,4125270.0,3657236.25,3836474.0,3740032.75,2190697.75,1826953.375,4637414.5,1892928.5,4401450.5,2706093.25,1012034.0625,1693929.25,1215668.0,2003338.75,1989421.625,2493482.75,2078564.0,2169107.0,1520940.875,2507706.25 "1018.50049 Da 785.54 s",13.09,1017.49321,"NCGC00347379-02_C46H74O16_Olean-12-en-28-oic acid, 23-hydroxy-3-[[O-beta-D-xylopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl]oxy]-, (3beta,5xi,9xi)-","C46H74O16",0.0,0.0,0.0,0.0,794043.1875,795973.8125,979584.8125,0.0,874480.875,609976.375,787531.25,565259.375,735228.0625,0.0,0.0,611639.375,533264.25,884910.8125,749491.875,653063.375,0.0,0.0,578757.5,0.0,1196870.625,597870.1875,0.0,0.0,0.0,0.0,0.0,520602.6875,0.0,698638.5625,0.0,0.0 "354.35001 Da 785.79 s",13.10,353.34274,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,239894.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "746.50946 Da 786.87 s",13.11,745.50218,"Vaccenic acid","C18H34O2",0.0,606621.0625,0.0,0.0,715765.6875,994930.9375,850919.875,895259.6875,0.0,1075225.125,898901.1875,1059344.5,1256443.25,926225.9375,716383.0,465502.6875,1067971.125,833114.375,690145.5625,0.0,0.0,0.0,1017030.8125,0.0,834166.5625,766904.9375,830983.4375,949150.5,706161.8125,651624.6875,1178690.0,712289.5,1113150.125,931556.625,586716.25,932345.3125 "822.54114 Da 787.00 s",13.12,821.53387,"PG 40:6","C46H79O10P",0.0,0.0,0.0,0.0,804524.625,933497.0,633878.75,631079.3125,555260.8125,919775.0,783495.5625,815590.4375,1030334.3125,429516.46875,691262.1875,1095040.75,1239173.375,0.0,845484.625,636361.5625,692182.375,1007312.4375,693860.625,1061941.375,970083.1875,962119.125,0.0,0.0,0.0,752068.9375,925433.0625,1149284.625,946998.875,724921.1875,904069.625,531080.5625 "908.54217 Da 788.28 s",13.14,907.53489,"PI 40:7","C49H81O13P",957633.75,1360033.5,1134926.0,819201.875,1306685.375,1485135.875,2257935.75,1419713.125,1415804.75,2017898.75,1406601.625,1348297.875,3531577.25,1821546.625,1247071.875,1590342.0,1700575.625,1629774.0,1733895.375,1906764.5,1426748.375,1103963.5,2242068.0,1377620.0,1624501.0,2390476.0,2022293.75,1564199.625,2066556.125,1886542.625,1386432.875,3434748.75,3059031.75,2271131.75,2037433.5,1690406.0 "368.36520 Da 788.07 s",13.13,367.35792,"Lignoceric acid","C24H48O2",9960097.0,3950540.75,4331668.5,0.0,0.0,0.0,0.0,0.0,0.0,1116200.25,1005010.75,927691.0625,0.0,3228570.5,2143950.75,0.0,0.0,4108457.0,0.0,0.0,0.0,0.0,1079589.375,0.0,1018397.0625,0.0,2017038.125,6047495.0,2289884.25,0.0,0.0,1107735.375,0.0,0.0,494459.03125,0.0 "436.35223 Da 788.74 s",13.15,435.34495,"Lignoceric acid","C24H48O2",1483522.5,1149819.75,1085691.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1175329.875,693465.625,0.0,0.0,1511773.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1061312.0,1967936.625,978522.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "883.53315 Da 790.14 s",13.17,882.52588,"PI 38:5","C47H81O13P",0.0,971298.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,390758.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "884.53751 Da 788.71 s",13.15,883.53023,"Spirostane + 1O, -2H, O-Hex-dHex-dHex","C45H72O17",0.0,939687.3125,0.0,0.0,1138529.375,0.0,1926364.75,0.0,1648198.375,2135148.0,1439006.125,2112426.0,2282556.5,1496522.875,943173.75,2120655.75,0.0,1770309.25,0.0,1735534.25,1217480.5,1003201.9375,2073866.125,1109449.875,0.0,953518.4375,1114399.25,1413157.5,709218.9375,1652961.125,1242783.375,2497224.0,1920347.25,1927534.875,707164.25,1737866.5 "396.39606 Da 789.56 s",13.16,395.38878,"Hexacosanoic acid","C26H52O2",0.0,0.0,1637211.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,887304.5625,545483.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,844362.875,0.0,0.0,656390.5,0.0,0.0,0.0,0.0,0.0,0.0 "723.50501 Da 791.65 s",13.19,722.49773,"PC 14:0/14:0","C36H72NO8P",2247781.5,3026304.0,2181961.25,1366347.5,3214148.25,4196317.0,6405662.5,3555117.5,4453666.0,6556654.5,3196950.5,4033850.75,1928556.75,5846472.0,2926248.0,4505532.0,4737358.5,4357902.0,4536696.0,5646666.5,2635349.5,2201081.5,5530504.5,2575452.25,3839971.0,2500170.25,1465130.75,1586422.125,1681352.375,1889119.625,1777340.0,2054615.75,1644273.0,1982848.75,1096642.75,1392468.5 "812.51969 Da 790.07 s",13.17,811.51242,"PG(18:1/8,9-EET)","C44H77O11P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,922404.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,845471.6875,0.0,0.0,1202810.5,0.0,0.0,970432.125,756299.125,844172.5,0.0,0.0 "807.50532 Da 790.26 s",13.17,806.49805,"Glu-Val-Phe","C19H27N3O6",0.0,0.0,0.0,0.0,0.0,711715.0,0.0,0.0,0.0,768359.25,0.0,888648.5,869719.0,707444.4375,0.0,344678.25,1057933.375,952708.0625,734023.375,570083.5,0.0,0.0,885268.1875,0.0,942383.4375,724172.875,0.0,0.0,0.0,0.0,0.0,921689.0625,0.0,0.0,0.0,0.0 "885.54357 Da 791.34 s",13.19,884.53630,"Spirostane + 1O, -2H, O-Hex-dHex-dHex","C45H72O17",0.0,0.0,0.0,0.0,0.0,0.0,584458.9375,0.0,0.0,0.0,0.0,0.0,934510.3125,0.0,5858749.5,798988.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,356076.90625,749578.625,749307.4375,0.0,0.0,433870.59375,0.0,1048026.3125,541861.75,962051.25,0.0,549042.375 "762.50254 Da 791.52 s",13.19,761.49526,"Prednisone","C21H26O5",0.0,0.0,0.0,0.0,0.0,1023814.5,1097719.625,884170.1875,0.0,1249418.25,769700.5625,0.0,732813.125,1079122.625,0.0,896936.3125,1109594.375,1088265.375,687245.4375,861652.75,0.0,0.0,711103.6875,920406.625,699206.9375,1032143.6875,982856.25,0.0,1113121.375,0.0,0.0,870883.375,1231978.125,940785.9375,0.0,0.0 "837.55059 Da 792.32 s",13.21,836.54332,"PC 37:6","C45H78NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,424689.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "842.53093 Da 793.51 s",13.23,841.52365,"PG 42:10","C48H75O10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,590397.875,744663.375,0.0,542451.375,0.0,625201.0,0.0,0.0,0.0,0.0,0.0,0.0,673520.875,0.0,716873.1875,396931.9375,0.0,537247.1875,0.0,0.0,0.0,422700.21875,569388.125,0.0,0.0,0.0 "761.49995 Da 792.95 s",13.22,760.49268,"PE 16:1_22:6","C43H72NO8P",0.0,903133.9375,0.0,0.0,1208298.25,968128.9375,934871.75,808074.1875,529607.4375,871786.4375,1207685.25,600660.625,905161.6875,949263.1875,656397.375,729045.5625,903849.375,1016970.5625,919365.0625,719501.8125,680552.9375,694455.5625,846134.25,758416.75,637517.125,706828.75,1075329.875,1101474.125,817065.1875,1373957.375,834091.5625,1201719.75,1182606.625,840000.25,913975.5625,922572.75 "773.52260 Da 794.17 s",13.24,772.51532,"PC 32:3","C40H74NO8P",0.0,576491.0625,0.0,0.0,0.0,379697.46875,0.0,773073.375,0.0,726398.6875,0.0,0.0,520182.71875,0.0,497978.125,787741.5625,663398.3125,693736.5,420166.40625,0.0,0.0,0.0,808505.5,523266.625,822410.375,969544.0,434213.3125,694804.625,371224.34375,531816.1875,599414.25,726686.125,502456.71875,572781.5625,746343.125,496063.125 "800.54010 Da 794.23 s",13.24,799.53282,"Sphingomyelin d18:0-C24:1","C47H95N2O6P",0.0,1169126.25,937423.125,0.0,1659805.0,1312734.375,1734447.375,1637950.75,1759845.625,1669675.5,744713.25,1784374.75,1625288.625,909811.0625,1170518.875,2440807.0,2399703.75,2070064.375,1743838.25,1847102.0,1224394.0,1200050.125,1747852.25,1438243.125,2096541.375,1450688.375,838075.75,729057.1875,989800.25,1242610.875,1150836.25,1853454.125,835556.125,1491611.5,1202205.25,1045334.0625 "799.53679 Da 794.54 s",13.24,798.52951,"PC 34:4","C42H76NO8P",0.0,876872.75,915970.0,824714.5625,1172650.25,1894160.375,1559238.625,1327270.375,1670026.25,1460334.375,1318938.625,1760744.25,1485854.25,974024.3125,761489.1875,1620117.375,1939193.25,1438211.375,1543429.75,1664634.125,1019571.875,1128082.125,1385481.25,1085258.5,1743648.875,1742163.75,804588.9375,748183.9375,1011675.25,1016919.25,991589.875,1554198.625,1305950.875,1460488.0,924543.3125,683340.5625 "749.52065 Da 796.57 s",13.28,748.51337,"PC 14:0_16:1","C38H74NO8P",2347403.25,4780172.0,2441945.5,1863535.5,5129963.0,6763871.5,1.0317888E7,6067858.5,6279350.0,1.021361E7,5465233.0,5746790.5,7051482.5,1.0405561E7,4655322.5,6614787.0,8288698.5,6402843.5,6478035.0,8678490.0,4256019.5,4050676.75,8931495.0,4918330.0,6052032.0,5484968.0,4747349.0,3586752.75,6186390.0,4032234.75,3556968.0,6990662.5,6041460.5,5385633.0,3160915.5,2913712.25 "851.56582 Da 798.10 s",13.30,850.55855,"PE(18:1e/7-HDoHE)","C45H78NO8P",692324.75,0.0,1049424.875,764283.25,2535833.0,2689517.0,3021990.5,0.0,2361002.75,3004326.5,0.0,0.0,3801431.5,2799781.75,2472581.0,2846163.75,3627346.75,2421633.5,2636666.0,2776674.5,0.0,2484158.0,3470708.75,0.0,2233411.25,5010091.0,3189481.5,3157081.75,2972367.5,0.0,2742631.25,3308060.5,3454127.75,1442781.25,3317703.75,2703980.25 "268.23972 Da 798.17 s",13.30,267.23244,"methyl palmitoleate","C17H32O2",0.0,0.0,0.0,0.0,205314.015625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,503556.6875,702263.0,720183.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "799.53672 Da 798.36 s",13.31,798.52944,"PC 34:4","C42H76NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,676886.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,857505.5625,0.0,0.0 "814.54538 Da 795.52 s",13.26,813.53810,"SM d34:2","C39H77N2O6P",1210849.375,1309008.125,1012665.25,819292.875,1418785.625,1180471.875,1345376.75,1213853.75,1141078.5,1122697.75,1226017.75,1306497.125,1072201.875,1417636.125,1079495.625,1103994.5,1026551.125,1273459.125,1100751.875,1289200.625,1266406.625,996960.125,1200016.0,1080733.0,1053453.5,1215207.0,1295338.625,1250487.125,920105.5625,1291230.5,960061.75,1010229.9375,1258563.75,1149700.25,969086.625,1144554.875 "772.52498 Da 796.16 s",13.27,771.51770,"PG 18:1_18:2","C42H77O10P",0.0,766379.375,0.0,0.0,593202.3125,789154.25,782868.3125,831926.625,638093.0,550808.1875,589959.4375,1307289.25,896910.1875,863479.625,598614.125,575634.4375,441622.46875,865058.75,726999.1875,869730.9375,890348.625,689658.5,1129554.75,681239.0625,677314.9375,939759.9375,0.0,457938.09375,0.0,1469794.875,1094095.375,1237392.25,809190.375,1049329.875,917305.3125,1200662.5 "818.51254 Da 796.30 s",13.27,817.50526,"PG 40:8","C46H75O10P",902207.25,1186081.75,363700.71875,713971.5,1128022.5,1485169.375,1966774.5,1456414.875,1182654.125,2292358.0,689252.1875,711498.5,1506381.875,2029084.25,1159395.375,1414602.25,1752889.375,1390535.25,1391238.625,2028711.875,1118795.125,1052446.625,2065371.5,498550.78125,759375.5625,1375125.375,1237880.5,1115689.375,1724837.25,818510.4375,983606.25,1480946.75,1270497.0,1193177.375,0.0,795718.0 "826.55572 Da 798.26 s",13.30,825.54844,"PC 36:5","C44H78NO8P",0.0,2138621.5,1267134.875,841683.4375,3396006.5,3310721.0,2963473.75,3279443.25,2461360.25,2731431.5,2707902.5,1139698.25,4786272.5,1943867.75,1799436.125,3279968.25,3476617.75,1276981.625,2695577.25,2534225.5,2606523.75,2237460.0,2709155.0,2519724.25,2928914.5,3624534.0,3644022.0,2190839.25,3869595.25,3514606.75,2052099.875,5243507.5,5460537.0,3261792.25,3656022.75,1921653.375 "825.55220 Da 797.52 s",13.29,824.54493,"PC 16:1_20:4","C44H78NO8P",816566.6875,1846560.125,2126123.0,1308140.625,2316309.75,2602619.75,2157006.0,2570421.25,2168128.0,2256823.5,2556106.5,4566557.0,4540835.0,3338961.75,3677327.5,6220916.0,2706438.75,5713076.0,2040601.0,1740892.0,4664282.5,1808001.5,2278183.5,1857492.625,6046621.5,2754320.0,3951785.0,1687908.125,3135102.75,2267661.5,1570335.125,4362012.0,5174541.0,2792130.75,3555247.5,1339341.375 "368.36518 Da 795.98 s",13.27,367.35790,"Lignoceric acid","C24H48O2",5343507.0,0.0,0.0,0.0,0.0,0.0,0.0,716215.3125,0.0,0.0,0.0,0.0,130671.875,0.0,2988025.25,0.0,0.0,0.0,0.0,0.0,432742.71875,865253.625,0.0,573721.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,880639.4375,0.0,0.0,629405.5625 "884.54135 Da 801.17 s",13.35,883.53407,"Spirostane + 1O, -2H, O-Hex-dHex-dHex","C45H72O17",0.0,1.705317E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "687.31495 Da 799.41 s",13.32,686.30767,"N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide","C27H45N9O12",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2807970.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "853.57399 Da 800.07 s",13.33,852.56672,"Phosphatidylcholine 17:0-20:5","C45H80NO8P",0.0,0.0,0.0,0.0,605348.625,531860.25,583559.0625,724774.1875,0.0,694788.3125,0.0,0.0,1464318.75,602723.25,0.0,0.0,652156.8125,0.0,0.0,0.0,0.0,0.0,707056.125,0.0,782311.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1056380.375,765431.6875,0.0 "808.51108 Da 800.23 s",13.34,807.50381,"PI 16:0_16:1","C41H77O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1591367.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "641.53091 Da 800.51 s",13.34,640.52363,"PALMITOYLCARNITINE","C23H45NO4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,478911.375,0.0,428845.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "952.52952 Da 802.83 s",13.38,951.52225,"Spirostane + 1O, -2H, O-Hex-dHex-dHex","C45H72O17",880395.375,2366999.25,1468938.375,806412.0,2383125.5,2115295.25,2552152.25,2671097.75,1853000.25,2082924.125,2108681.5,2308109.0,1946232.75,1925901.375,2272922.75,1897837.125,1975922.875,1698289.125,2127645.25,2167496.25,2080264.625,2241142.75,2162730.0,2494098.25,2225476.5,2237438.5,1814451.125,1530818.5,1635892.375,2565321.0,1842081.0,2055830.875,2900572.0,1994833.375,2163824.0,2094411.25 "750.52349 Da 803.10 s",13.38,749.51621,"Azythromycin","C38H72N2O12",2534570.25,5704506.0,2803231.25,2404098.75,5997696.0,7382114.0,1.2077711E7,7260026.5,7530480.5,1390250.625,6290300.5,6734560.5,836142.25,1.0014393E7,4958455.0,7325233.5,1087158.0,7219715.5,7273558.5,9472391.0,4884095.5,4285342.0,1.0079284E7,6147950.5,6329878.0,6830222.0,5323655.0,4182582.5,7207355.0,1114515.0,3916216.75,8255184.5,6764153.5,6146821.0,3704426.0,3562150.75 "1020.51658 Da 803.25 s",13.39,1019.50930,"Spirostane + 1O, -2H, O-Hex-dHex-dHex","C45H72O17",1009447.125,845596.8125,516327.28125,990259.0625,885959.375,852155.125,1620591.875,770769.3125,983473.8125,752123.4375,1012466.125,1076180.5,535617.3125,735815.1875,1213184.5,826330.625,1435413.5,967733.25,1072022.0,880160.6875,953390.9375,875614.625,1458167.125,954671.1875,977903.8125,1434307.625,805489.0625,640019.0625,925956.8125,997818.4375,851440.375,1578695.25,1594447.25,866073.1875,961196.8125,936498.6875 "884.54195 Da 802.78 s",13.38,883.53467,"Spirostane + 1O, -2H, O-Hex-dHex-dHex","C45H72O17",5342288.5,1.8435158E7,7754018.0,4640596.5,1.5907657E7,1.5347785E7,2.0404032E7,1.8275816E7,1.3268926E7,1.6974584E7,1.8038148E7,1.7773614E7,1.6054418E7,1.6145793E7,1.687798E7,1.5798902E7,1.3776976E7,1.5066411E7,1.5383632E7,1.7508448E7,1.4370576E7,1.4129988E7,1.6757718E7,1.7676628E7,1.7016092E7,1.7493622E7,1.2649433E7,1.2204318E7,1.1741894E7,1.7090656E7,1.2449258E7,1.8532194E7,1.9712076E7,1.544288E7,1.6251113E7,1.362001E7 "775.53621 Da 802.97 s",13.38,774.52893,"PC 16:1/16:1","C40H76NO8P",1815924.125,5661767.5,2310629.25,2048256.625,6183226.0,7259815.0,9459040.0,8667991.0,5449766.0,9477870.0,6888783.0,5687256.5,1.3302882E7,7570533.0,5700915.0,7055920.0,8490770.0,5673533.5,6597056.0,8274549.0,5457920.5,4516472.0,8128908.0,6819563.0,6661385.5,7795564.5,1.1417627E7,5822277.0,1.2098973E7,5729842.0,4393197.5,1.2161851E7,1.42905E7,8739749.0,6696523.0,4338551.0 "887.55085 Da 802.95 s",13.38,886.54357,"(3?,5?,9?,14?,25S)-Spirostan-3-yl 6-deoxy-?-L-mannopyranosyl-(1->4)-[?-D-glucopyranosyl-(1->2)]-?-D-glucopyranoside","C45H74O17",614380.4375,1653443.875,852910.125,0.0,1828914.75,1992599.125,2073939.75,1751911.75,852279.1875,1813416.0,2184505.75,1178514.75,751325.875,2066724.25,1773769.375,1974841.875,1754125.25,1699876.75,1565587.125,1087378.0,1713238.0,1593850.375,1837830.75,1816003.0,1833677.75,995046.5625,1372554.25,759758.0625,760327.75,1758692.125,885252.875,1345144.875,1115422.75,1638188.625,1685002.75,519996.15625 "910.55721 Da 803.16 s",13.39,909.54993,"PI 40:6","C49H83O13P",636348.0625,1298605.375,888948.0625,1209103.125,1300900.5,1497513.25,2009388.125,1642529.625,1231204.75,2003924.875,1589410.125,1535043.75,4514331.5,1135646.125,1580990.75,1337878.75,1649653.25,1260677.625,1074809.75,1641424.5,1565722.125,1253640.5,2014799.375,1415122.25,1391286.375,3371208.75,2389448.5,2380024.5,2653574.25,2981126.25,2121687.0,4432668.0,4354808.0,3072839.75,3035972.5,2383987.75 "858.52612 Da 801.44 s",13.36,857.51885,"PI 36:4","C45H79O13P",4404460.5,8870977.0,7767212.0,2942259.75,1.0348501E7,1.0859061E7,1.3852143E7,9730971.0,1.1498538E7,1.1405092E7,1.0995221E7,1.564235E7,6695543.0,1.076488E7,8598949.0,1.175197E7,8426673.0,1.269827E7,1.2945976E7,1.0988878E7,9038957.0,8836891.0,1.0723959E7,9742284.0,1.3628438E7,9778387.0,4676807.5,7710577.0,5097081.0,8104958.0,8509587.0,8080440.5,7432817.5,8050143.5,6605058.0,9408562.0 "808.51007 Da 802.31 s",13.37,807.50280,"NCGC00385705-01_C43H68O14_(3beta,5xi,9xi,16beta,18xi,21beta,22alpha)-28-Acetoxy-16,22,23-trihydroxy-21-[(2-methylbutanoyl)oxy]olean-12-en-3-yl beta-D-glucopyranosiduronic acid","C43H68O14",1280502.625,1211814.75,1359855.125,999027.6875,1191738.625,1234912.5,1863049.375,1007905.1875,1508665.5,1556738.0,1057262.0,1755069.5,2702949.75,2197167.5,1107304.375,1614776.5,1397040.625,1916045.875,1533973.75,1623167.0,1255176.5,1057586.0,1765335.125,1168392.625,1512676.0,2067882.375,1737764.625,3248872.5,1897451.5,1436028.875,1381421.75,2212053.0,1934527.625,2019785.125,1618403.625,2380023.25 "787.51659 Da 803.13 s",13.39,786.50931,"Aleuretic Acid","C16H32O5",0.0,1023142.1875,0.0,0.0,0.0,619062.5625,1300226.625,958241.25,801244.875,1138540.25,302548.84375,570145.5625,615457.625,717092.8125,871712.5,613192.0625,566790.375,1008340.3125,564624.125,915484.8125,807530.75,395173.09375,749773.3125,864380.0,1330288.125,546513.625,505429.0,825855.6875,422016.96875,623376.4375,1027468.75,841504.9375,480538.5625,1276616.5,514131.90625,816515.1875 "844.52816 Da 803.27 s",13.39,843.52088,"PG 42:9","C48H77O10P",0.0,1084222.0,385642.5,743844.875,1190721.375,1411109.25,1468927.0,1303623.0,1212412.0,1571890.375,1118052.375,1166169.875,2310704.75,1183871.0,928666.375,1063759.5,1407128.125,1011349.3125,1093564.5,888675.375,927419.25,1029059.875,1498261.5,1271828.25,1173455.75,1275908.125,2146193.75,1230620.125,2518854.5,1184438.25,916974.4375,1830823.375,2250606.5,1669567.75,1381371.75,918726.5625 "776.54040 Da 801.13 s",13.35,775.53313,"PC 32:2","C40H76NO8P",1913262.5,6434952.5,1170235.25,2270282.0,7541702.0,8827596.0,1.0717325E7,9563751.0,6932836.0,1.1282816E7,8663732.0,5815577.0,1.6509307E7,8239064.0,6324103.5,8627777.0,1.0767613E7,7723306.0,7438937.0,9891172.0,2595562.75,6163299.5,9227996.0,7367610.0,7839552.0,8544275.0,1.4774305E7,6787115.5,1.4314727E7,6634396.5,5522988.0,1.3539643E7,1.7331494E7,1.024938E7,7225625.0,4780422.5 "902.51398 Da 805.94 s",13.43,901.50671,"PI 34:2","C43H79O13P",723294.4375,1100939.5,457509.6875,0.0,1083742.5,1069346.375,1114687.25,676189.0625,845215.8125,965659.5625,845661.8125,1222799.75,1129702.875,1555598.0,1314175.5,1141144.75,985247.5,1007311.8125,1003249.8125,529887.5625,1167667.25,949862.5,1019515.625,1130627.125,1072145.5,976675.8125,1244272.875,1911220.625,1194494.5,1403745.0,760056.4375,1921770.375,1226316.625,931350.5625,959142.1875,863814.6875 "978.54383 Da 804.15 s",13.40,977.53655,"6-[[(3S,6aR,6bS,8aR,14bS)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,13,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","C47H74O17",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1488851.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,873733.375,889138.0625,776538.6875,836688.0625,642056.25,815670.75,855314.375,1172415.25,870088.8125,736583.5625,904518.0625 "810.51939 Da 803.66 s",13.39,809.51212,"PI 16:0/16:0","C41H79O13P",0.0,0.0,0.0,0.0,0.0,559749.3125,449297.09375,0.0,0.0,605350.5,0.0,593958.125,1158475.375,955384.0625,0.0,742061.5625,607953.6875,878052.75,658249.5,992829.9375,0.0,0.0,751726.375,0.0,886545.0,664392.375,728584.5625,1014080.5625,1145337.75,0.0,567172.9375,1143381.25,0.0,398772.875,731383.3125,983909.25 "877.58210 Da 804.63 s",13.41,876.57482,"PC 40:7","C48H82NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1455880.875,0.0,1581535.75,0.0,0.0,0.0,0.0,3117327.25,0.0,0.0,0.0 "877.58243 Da 806.18 s",13.44,876.57516,"PC 20:3_20:4","C48H82NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,925669.875,1260504.625,0.0,1501512.375,0.0,0.0,0.0,0.0,0.0,970249.875,0.0,0.0,930953.5625,0.0,0.0,0.0,1565053.0,0.0,0.0,866544.0,1256079.875,0.0,0.0,0.0,1245970.625,946298.0,901486.3125 "354.34918 Da 804.96 s",13.42,353.34191,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,249893.484375,445915.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "863.56745 Da 805.90 s",13.43,862.56017,"Tacrolimus","C44H69NO12",0.0,1044049.25,642400.0625,0.0,498960.25,1147028.125,864637.0,865482.75,485509.59375,904124.125,756544.375,829232.375,854095.0,559385.25,945517.625,1329210.75,709997.75,526288.9375,753514.375,829255.75,988861.3125,683597.5625,714233.1875,654092.3125,691820.5625,1266358.875,999905.5,737952.8125,1012307.8125,579254.75,1035493.25,864772.1875,1551175.5,1208302.5,1201361.375,833940.25 "798.53979 Da 805.96 s",13.43,797.53251,"2-{[(2Z)-7-hydroxy-6-(4-hydroxy-7,7,12,16-tetramethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0?,?.0?,?.0??,??]octadecan-15-yl)-2-methylhept-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol","C42H70O14",0.0,0.0,0.0,0.0,641394.8125,742497.125,0.0,0.0,0.0,0.0,0.0,668047.9375,0.0,0.0,0.0,799819.875,332620.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,541529.875,0.0,0.0,0.0,0.0,712650.625,831772.0625,0.0,0.0,0.0,0.0,0.0 "1020.51629 Da 806.81 s",13.45,1019.50901,"Spirostane + 1O, -2H, O-Hex-dHex-dHex","C45H72O17",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,408709.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "802.55628 Da 806.91 s",13.45,801.54900,"PC 34:3","C42H78NO8P",0.0,4734262.5,2081168.5,0.0,6321002.0,0.0,0.0,6850119.0,4839426.0,0.0,7154369.0,4521896.5,7732649.5,5144431.5,5548917.0,2217085.5,7049389.5,0.0,0.0,5762176.0,5232878.5,5159605.0,0.0,6212820.0,5370163.0,5368589.5,6208240.5,3641315.0,5910556.0,4800967.0,3611710.25,8102141.0,9191381.0,5942580.5,5311051.5,3087816.25 "869.53974 Da 807.68 s",13.46,868.53246,"Adenylosuccinate","C14H18N5O11P",0.0,1049467.0,781627.375,732790.625,2092803.125,1943433.25,0.0,2362297.5,1316801.625,0.0,0.0,1584351.625,911391.3125,0.0,2018017.5,2074314.75,2506931.5,0.0,1747466.0,1713383.0,2251126.0,2160534.5,0.0,1980783.75,1727183.5,1792136.5,1179576.625,0.0,2236801.75,967649.0,0.0,2417034.0,1272365.125,2223126.75,0.0,0.0 "749.52158 Da 807.68 s",13.46,748.51430,"PC 14:0_16:1","C38H74NO8P",0.0,870175.25,776117.3125,0.0,1417884.875,1890730.375,3156272.75,1394992.0,1701950.125,2841213.75,1162466.875,902249.125,1301029.5,1091006.625,0.0,1695451.625,1817802.375,0.0,1432211.25,2465218.0,0.0,1116956.25,2269137.0,1233412.625,1354861.625,1038507.625,0.0,0.0,0.0,769110.0,1243660.875,647368.125,0.0,0.0,0.0,638446.625 "763.51615 Da 807.77 s",13.46,762.50888,"Cortisone","C21H28O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,832721.6875,0.0,0.0,1655134.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,987697.75,1429990.75,0.0,766114.625,952492.0625,0.0,1611241.625,1980252.125,1096338.375,941189.875,0.0 "737.49977 Da 808.54 s",13.48,736.49249,"PE 16:1_20:4","C41H72NO8P",0.0,0.0,0.0,0.0,1392459.25,1727178.0,1000539.0,1706745.75,1450875.125,2236957.75,914731.0,687415.5625,1704359.25,1232403.625,960715.5,1603793.625,1949238.5,1790092.875,798958.125,1833343.625,757024.1875,775143.3125,1098230.25,898864.75,1180887.5,1957083.125,1461982.625,660931.1875,1237618.0,1458837.75,907203.0,1296645.375,1858059.125,1000921.375,1521056.25,1137273.5 "825.55277 Da 808.68 s",13.48,824.54549,"PC 36:5","C44H78NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7480725.5,0.0,0.0,0.0 "720.49321 Da 809.74 s",13.50,719.48593,"Palmitoleic acid","C16H30O2",0.0,861821.1875,0.0,0.0,881108.0625,1183045.75,1170224.875,0.0,0.0,1275895.5,0.0,1065609.5,1067294.75,1133873.25,0.0,1060189.25,944357.0625,454907.0,850465.9375,1065910.875,0.0,0.0,1199429.0,0.0,784745.4375,1201817.875,0.0,882588.6875,1236523.875,936202.6875,869176.125,1001988.8125,1057017.375,1099389.5,0.0,868436.625 "896.54340 Da 809.76 s",13.50,895.53612,"6-[[(3S,6aR,6bS,8aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","C47H76O16",0.0,0.0,0.0,0.0,608370.1875,846294.6875,703097.125,0.0,629953.0625,733540.125,566535.0625,954850.5,0.0,0.0,0.0,892386.625,747951.75,668480.625,356795.90625,0.0,0.0,0.0,734471.4375,0.0,933834.6875,607893.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,678535.3125 "412.35543 Da 809.78 s",13.50,411.34816,"(6E,10Z,14E)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid","C20H26O4",258803.484375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "836.53563 Da 809.85 s",13.50,835.52835,"PI 34:1","C43H81O13P",665304.125,1223662.875,929677.5,0.0,1433894.5,1644365.25,1907979.5,1197691.5,656859.4375,1762145.375,1262425.5,1914501.375,3668188.0,1951913.25,1534475.75,1622410.5,1689602.5,1554675.625,1700724.0,931874.6875,1504443.625,1200469.875,903870.625,1628622.25,1908943.875,2514560.25,2607985.25,2509331.25,2942452.75,1922858.375,1670962.75,3123896.75,3378744.5,2259927.75,2196676.5,2165241.25 "868.54626 Da 810.50 s",13.51,867.53899,"PI O-38:6","C47H81O12P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3148929.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "825.55219 Da 810.25 s",13.50,824.54491,"PC 16:0_20:5","C44H78NO8P",1905225.875,4122328.75,4051309.25,2608407.75,6993788.0,1.1673912E7,1.119433E7,7797493.5,1.1628511E7,9643623.0,7435296.5,9681129.0,4815924.5,5808528.5,3729178.25,1.1404803E7,1.1156914E7,1.0432E7,1.1427479E7,9443304.0,5162995.0,4989985.5,9108113.0,5764310.0,1.0351473E7,5349831.0,2673968.25,2895639.5,3597632.75,4026655.25,4674522.5,6553033.0,3870760.0,5248957.0,3489554.5,3784155.25 "893.53997 Da 810.16 s",13.50,892.53270,"Salvianolic acid I","C27H22O12",1060208.75,1066727.25,1024330.8125,843671.8125,1052716.875,2011609.375,1973605.25,1115842.75,1693718.0,1612447.875,1594671.0,1615795.25,863058.5,1231364.5,1103081.75,1820421.625,1749773.625,1434647.875,1512351.5,1400674.25,899010.625,954666.0,1486502.0,960717.25,1439974.125,924735.9375,600637.125,742962.1875,569261.75,989832.6875,969221.75,1056207.25,755779.8125,899250.125,572863.4375,1103730.625 "868.54728 Da 811.80 s",13.53,867.54001,"PG 44:11","C50H77O10P",1368728.125,2157580.25,2067730.5,713722.9375,2027215.0,1757996.75,3043868.25,1833334.0,1946206.25,2634537.0,1899410.75,2839325.25,1653782.375,3402972.75,2316991.5,2333336.75,1708399.0,2874285.0,2360459.0,2591284.0,1660929.75,1655871.875,2813752.75,1843198.375,2432506.75,1997425.5,1304401.0,2073809.75,1497080.5,1407548.375,1641413.0,2217705.25,1738683.25,2042743.625,1530169.0,2244180.25 "851.56784 Da 811.24 s",13.52,850.56057,"PC 18:1_20:5","C46H80NO8P",1391479.5,5444131.5,2975878.5,2473456.0,7464850.5,8986481.0,1.0746445E7,9118033.0,8079137.0,8405623.0,7492265.0,6161864.0,6009830.5,5178598.0,4657832.5,8282469.5,1.0305539E7,7650629.0,7888387.5,8826952.0,5069347.5,4743857.0,7555284.0,6724025.0,7519818.5,5058066.0,4003894.75,2719415.75,3915505.5,4195560.5,3680052.5,6481987.0,5791310.5,5497240.0,3355250.75,2872017.0 "936.53611 Da 811.72 s",13.53,935.52883,"PG 44:11","C50H77O10P",0.0,713998.25,533734.75,0.0,669350.0625,573118.5,591650.875,835010.4375,742193.4375,813432.9375,863333.5,872247.0625,655436.8125,756795.125,851819.625,492920.78125,527220.125,1104937.25,820932.75,638394.625,726125.9375,711122.8125,851721.625,584709.3125,785208.4375,645207.9375,0.0,381524.59375,0.0,0.0,494715.53125,568112.9375,0.0,681711.125,0.0,752374.6875 "775.51508 Da 812.77 s",13.55,774.50780,"PC 32:2","C40H76NO8P",584933.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,801232.8125,723189.0,812870.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1652645.625,760834.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,538323.3125,0.0 "687.48455 Da 811.73 s",13.53,686.47727,"PE 16:1/16:1","C37H70NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,775969.8125,0.0,0.0,1027577.75,993307.625,850649.0,0.0,0.0,0.0,0.0,796066.1875,0.0,0.0,919077.0,0.0,0.0,1032985.25,1304476.875,970661.375,1872144.0,0.0,0.0,1186857.0,1927134.625,1230623.25,1049469.125,0.0 "801.55193 Da 811.00 s",13.52,800.54465,"PC 16:1_18:2","C42H78NO8P",2231216.25,3494773.5,1914592.0,1665886.125,5085799.0,5027593.0,5014886.0,5515312.5,3298957.5,5941351.0,5930288.5,3765862.0,6508525.0,3339715.25,3744369.25,4454602.5,6147947.0,3665057.5,4454751.5,4586204.0,4015315.5,4069925.25,4931755.5,5114557.0,4056771.5,5450577.5,5265025.0,2883244.25,5460345.0,3851564.5,2789686.25,6204698.5,7767049.0,4146572.0,4433094.0,3327740.75 "638.51148 Da 810.54 s",13.51,637.50420,"Ginsenoside F1","C36H62O9",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,225155.703125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "719.48884 Da 811.15 s",13.52,718.48157,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,1065409.25,1504806.375,1260231.875,0.0,0.0,1059721.375,1058072.375,945716.5625,0.0,808265.8125,0.0,751535.5625,824105.875,746000.6875,1255879.5,1006549.0625,1129376.25,0.0,1205700.75,0.0,1145822.875,733809.5,0.0,0.0,0.0,0.0,824837.4375,0.0,0.0,0.0,0.0,0.0 "928.52540 Da 811.21 s",13.52,927.51812,"[3-(hexadecanoyloxy)-2-[icosa-5.8.11-trienoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C45H81O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,637680.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "733.49002 Da 811.90 s",13.53,732.48274,"Cedrelone","C26H30O5",0.0,599460.4375,0.0,0.0,0.0,0.0,645211.5625,0.0,0.0,849103.875,0.0,718912.6875,1401248.375,1173865.75,978631.8125,671297.25,369506.875,708829.1875,493399.09375,860393.6875,0.0,0.0,766573.3125,0.0,721987.625,952673.0625,1117730.375,740137.375,1647170.125,549545.0625,437463.25,1085176.125,959263.5625,828073.9375,525308.625,716207.125 "687.31575 Da 813.53 s",13.56,686.30847,"N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide","C27H45N9O12",3970957.5,8082674.0,5772130.0,759809.125,6127977.0,5021674.0,3543879.75,3104924.5,4082112.25,4021550.5,3654570.75,5228645.5,4427423.5,6342325.0,4030495.5,5317141.5,4416508.0,5006616.0,5580926.5,4629483.5,4830677.0,2836788.75,3833747.5,2425019.75,3265368.0,5529783.0,5812866.0,6543689.5,4365171.5,5666880.0,4110178.75,3824227.5,4643941.0,3375364.25,4604771.5,5084692.0 "793.52578 Da 814.07 s",13.57,792.51851,"PS O-38:6","C44H76NO9P",0.0,0.0,790471.9375,0.0,618273.6875,1231636.75,1235445.875,1037433.625,1131588.875,1641461.125,1100111.25,1395830.375,780241.375,407688.5,0.0,1000975.375,1047633.9375,860236.25,1173429.75,1063114.625,1127742.375,586424.6875,1530828.25,719337.5,1763590.25,853612.3125,0.0,0.0,0.0,541764.875,1213581.25,1631562.25,1161101.375,650170.6875,1170201.25,633002.1875 "822.54156 Da 814.61 s",13.58,821.53428,"Glycyrrhizate","C42H62O16",0.0,0.0,474932.8125,0.0,1038715.125,648160.8125,1187574.375,1200834.875,586883.5625,633697.5,468766.15625,1436993.625,623431.625,581029.375,455510.1875,676840.6875,1032734.75,917689.4375,747500.6875,1151757.25,403371.0,404177.03125,1227909.75,499999.84375,0.0,596279.9375,0.0,0.0,0.0,508092.28125,959846.25,861534.25,384294.4375,1070964.875,685248.5,871730.9375 "746.50939 Da 812.30 s",13.54,745.50211,"PG 16:1_18:1","C40H75O10P",0.0,1290796.125,1147563.25,0.0,1710754.375,905944.1875,1691519.125,1241224.0,1104527.25,1351031.625,1349251.5,1580808.875,1016484.1875,1169168.625,1016716.5625,939684.9375,821608.125,1503393.0,1395445.375,1448676.125,1504873.75,837349.5625,1272873.5,1130281.5,1373006.625,1143761.25,1058974.125,951381.9375,986635.25,921416.625,866493.0625,1208792.875,886178.75,1540344.375,1242025.375,984140.0 "928.52996 Da 813.17 s",13.55,927.52268,"[3-(hexadecanoyloxy)-2-[icosa-5.8.11-trienoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C45H81O13P",0.0,414405.34375,801892.0625,0.0,1120389.875,856416.0625,1025950.375,902535.625,0.0,728199.5625,633071.125,0.0,1053760.0,1121243.5,907140.25,1080067.625,662952.375,1177220.625,987132.375,828178.9375,1108741.625,977134.8125,732603.125,1101523.125,1001482.25,1601484.75,859894.1875,1774036.5,953407.1875,1773486.25,1098534.625,1765669.875,1053850.875,1560927.75,1057681.875,1696994.625 "860.54112 Da 812.55 s",13.54,859.53384,"[3-(hexadecanoyloxy)-2-[icosa-5.8.11-trienoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C45H81O13P",0.0,2707913.25,2029992.0,1848228.75,3027270.25,2839924.25,3789211.0,2749964.5,2188957.25,2343302.5,3174699.0,2942712.75,6013043.5,2835365.25,2883435.0,2741093.25,3050984.0,3060750.0,2789194.75,2754586.5,2990741.25,2562433.75,2709780.0,3110975.25,6982558.0,5282200.5,4512193.5,4198096.5,4576138.5,4226141.0,3097545.0,5637198.0,6678865.0,5009572.5,5425389.5,4059275.0 "863.55190 Da 813.66 s",13.56,862.54463,"PI 36:2","C45H83O13P",0.0,0.0,0.0,0.0,543773.6875,0.0,578598.0,800124.1875,386224.5,661479.625,757663.8125,0.0,424873.03125,387137.0,0.0,0.0,594921.9375,0.0,500074.4375,0.0,273860.03125,456195.78125,0.0,414565.875,592128.1875,0.0,625781.5625,428042.125,565939.625,552871.3125,0.0,0.0,779500.125,0.0,703168.25,0.0 "366.34961 Da 815.22 s",13.59,365.34233,"Nervonic acid","C24H46O2",1233047.75,1025222.3125,1247524.75,0.0,1301876.875,1335716.375,1674569.625,1649222.375,1952531.0,1533734.75,1248811.0,1295510.375,1306801.5,803617.6875,1176081.625,1529050.125,1080727.375,1075952.25,1081088.0,1157873.375,887365.75,1050377.5,1490288.125,1600167.625,1410740.125,1315762.5,1564707.875,1547996.75,1640942.75,1247408.5,1027217.625,1822577.125,1637576.125,1356268.25,1340569.625,1704330.125 "872.54147 Da 814.95 s",13.58,871.53419,"PI(16:0/8,9-EpETE)","C45H77O14P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,921075.375,993426.25,0.0,1081631.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,871950.75,0.0,0.0,0.0,0.0,0.0,0.0,1327705.875,0.0,0.0,0.0,1170551.125 "743.55007 Da 815.88 s",13.60,742.54280,"Phosphatidylethanolamine 18:1-18:1","C41H78NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,285096.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "790.53457 Da 814.83 s",13.58,789.52729,"PG 40:6","C46H79O10P",0.0,0.0,0.0,0.0,485608.9375,0.0,377293.53125,948838.1875,586887.0625,0.0,0.0,0.0,0.0,600185.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,445535.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "853.57501 Da 815.24 s",13.59,852.56773,"Phosphatidylcholine 17:0-20:5","C45H80NO8P",728130.9375,1907311.375,1293351.25,1178936.875,2885989.5,3549523.25,4193117.0,3596002.0,3689086.5,3428679.0,3104599.0,2818257.75,2114852.75,2215106.75,1984493.5,3781999.25,4572532.5,3330203.5,3766407.75,3695593.5,2240995.0,2240407.5,2762327.75,2596065.5,3144209.0,625267.9375,1289067.625,934255.0,1404124.25,1624421.0,1197205.375,1919042.375,1830984.0,1905932.5,1950644.0,1019783.625 "929.53415 Da 814.02 s",13.57,928.52688,"[3-(hexadecanoyloxy)-2-[icosa-5.8.11-trienoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C45H81O13P",0.0,539626.1875,0.0,0.0,665551.0625,430810.875,644421.0625,626880.0,465660.65625,438171.0625,759861.0625,637342.0,1185790.375,491010.8125,635725.9375,617967.0625,527848.0,492571.40625,655706.5,404279.96875,469574.875,697963.0625,532862.0,670651.6875,322713.21875,969058.5625,854545.125,844902.8125,932238.875,1023687.5625,624921.375,1078655.375,996232.6875,783019.75,1015591.3125,566489.9375 "861.54572 Da 816.02 s",13.60,860.53844,"[3-(hexadecanoyloxy)-2-[icosa-5.8.11-trienoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C45H81O13P",1566702.25,3656274.5,1254959.125,1150870.625,4741578.0,4212708.5,5408697.0,4492254.0,3543455.75,4863481.0,5153749.0,5653779.0,9335754.0,4270791.5,3783721.25,4481203.5,4801664.0,4037655.0,1777637.5,4905636.0,5024621.0,4184759.25,5129639.0,4918490.5,1899255.0,7108643.5,5833030.5,6169127.0,960152.625,6491840.5,4048106.75,8285890.0,9189390.0,6811438.0,7388250.5,6200601.0 "843.52421 Da 815.59 s",13.59,842.51693,"PC(16:0/8-HETE)","C44H80NO9P",0.0,565255.5,0.0,0.0,0.0,762680.75,1033674.875,0.0,0.0,1019413.875,0.0,749375.1875,787581.5625,0.0,0.0,660193.375,830076.1875,0.0,0.0,917032.375,0.0,0.0,969615.875,969644.6875,0.0,731881.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "870.54888 Da 814.76 s",13.58,869.54161,"Furostane base -1H2O -2H + 1O, O-Hex, O-Pen-dHex","C44H70O17",0.0,0.0,0.0,0.0,0.0,0.0,764615.25,0.0,0.0,0.0,0.0,0.0,0.0,552701.5,0.0,0.0,651294.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "910.55672 Da 815.91 s",13.60,909.54944,"PI 40:6","C49H83O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,418446.84375,0.0,0.0,0.0,1186737.375,613465.875,0.0,0.0,0.0,0.0,1276438.125,906112.25,0.0,0.0 "776.53683 Da 815.69 s",13.59,775.52956,"PC 32:2","C40H76NO8P",0.0,1752688.875,0.0,0.0,1615852.875,0.0,3153037.75,0.0,0.0,1874473.75,0.0,0.0,0.0,2081594.125,0.0,2483531.5,2742162.75,2128868.0,0.0,2928043.5,1708601.75,1595656.5,2666498.25,1778416.0,2122904.5,0.0,0.0,1355109.875,0.0,0.0,1276843.875,0.0,0.0,0.0,597601.375,1258506.125 "338.31798 Da 814.90 s",13.58,337.31070,"Estrone","C18H22O2",296498.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "885.54546 Da 815.33 s",13.59,884.53818,"Spirostane + 1O, -2H, O-Hex-dHex-dHex","C45H72O17",1751259.375,0.0,1049937.25,0.0,5213775.0,4792299.5,5979554.5,0.0,1795317.375,4708982.0,4307193.5,6133961.0,4412496.5,0.0,3619911.75,5544550.5,0.0,4050545.75,2230205.0,1511597.625,1777599.0,3223936.0,3538885.75,0.0,5058567.0,5634250.0,0.0,3991169.75,0.0,5252478.5,4630290.5,0.0,4593030.0,5299768.5,3691151.25,1835791.375 "952.24246 Da 815.35 s",13.59,951.23519,"PI 38:5","C47H81O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,761838.4375,0.0,0.0,1490964.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1175191.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36507 Da 816.01 s",13.60,367.35780,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,1451182.875,0.0,1197365.5,1090956.375,0.0,0.0,0.0,699836.0625,82191.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23312.79296875,3039538.75,0.0,0.0,1439449.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33401 Da 817.62 s",13.63,339.32673,"Behenic acid","C22H44O2",0.0,2071161.875,0.0,0.0,1105496.125,956079.875,1412139.25,1545060.0,874334.6875,1415681.25,1498257.25,831626.25,1127901.0,0.0,0.0,0.0,773512.0625,1259008.0,950716.5625,1687497.125,1405083.5,1582616.125,787150.5,1790156.625,944476.625,1629373.5,563674.125,1239806.375,940392.25,1413806.5,1333339.0,1146643.75,1104283.25,1822158.125,1476990.25,1521028.25 "775.53750 Da 816.12 s",13.60,774.53023,"PC 16:0_16:2","C40H76NO8P",1106941.75,3517594.25,0.0,0.0,4035187.75,0.0,2490826.25,0.0,3957645.75,6298383.0,4469171.5,0.0,0.0,0.0,0.0,0.0,5586211.0,3853971.5,4513481.0,5552203.5,0.0,3504223.25,5235441.5,3853718.0,4278923.5,4875615.5,0.0,0.0,0.0,0.0,3268738.25,0.0,0.0,0.0,3003712.75,2998640.25 "789.53082 Da 816.17 s",13.60,788.52354,"Linoleic acid","C18H32O2",0.0,0.0,0.0,0.0,387901.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,537815.0,0.0,0.0,0.0,379736.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,643367.6875,619207.9375,0.0,0.0,884093.5,0.0,0.0,947588.3125,501313.65625,663965.4375,491752.15625 "877.58315 Da 817.45 s",13.62,876.57588,"PC 18:2_22:5","C48H82NO8P",0.0,0.0,1103104.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1516296.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3020122.75,0.0,0.0,0.0,0.0 "396.39661 Da 816.25 s",13.60,395.38934,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,923430.875,626596.1875,0.0,0.0,358764.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,328991.46875,0.0,0.0,0.0,0.0,0.0 "813.55156 Da 817.08 s",13.62,812.54428,"PS 38:3","C44H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,809196.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "884.53883 Da 817.53 s",13.63,883.53156,"PI 38:5","C47H81O13P",0.0,6205316.0,5422373.5,2075597.25,0.0,3504872.25,1.0233935E7,7785138.0,8879199.0,8035099.5,7833901.5,1.087133E7,8247207.0,2592594.5,0.0,9614964.0,0.0,8386387.5,9847587.0,8967642.0,0.0,6400920.0,0.0,7840144.0,8743175.0,1.022002E7,5354842.5,7034124.5,5247480.0,9995833.0,3086206.25,8169719.5,9366730.0,9617119.0,0.0,9452786.0 "805.50745 Da 818.13 s",13.64,804.50018,"Phosphatidylserine 18:1-20:5","C45H76NO9P",0.0,0.0,0.0,0.0,0.0,0.0,855280.125,0.0,0.0,500765.71875,0.0,0.0,0.0,844028.6875,0.0,858327.375,0.0,0.0,751814.9375,441822.03125,0.0,0.0,690015.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "734.55737 Da 818.80 s",13.65,733.55010,"SM d33:1","C38H77N2O6P",998904.625,1248969.875,1248106.375,1151937.0,985120.6875,1253333.125,1519414.75,1107944.5,1008194.5,1011091.75,1092830.0,1150576.125,1392890.125,1281835.5,1189747.375,1374049.25,949892.25,1198186.625,1448038.75,1521819.625,1346504.25,1120963.375,934630.6875,1062097.0,959044.625,1492365.625,1112143.625,1306883.625,1248344.5,1398647.25,993179.25,1246127.5,1359999.125,1321754.0,971917.9375,1142751.25 "828.57138 Da 819.28 s",13.65,827.56411,"PC(16:0e/8-HEPE)","C44H80NO8P",1148950.875,3672124.75,1300711.375,617733.25,3781726.0,3978114.25,6957861.0,5873409.5,3595724.0,6907653.0,4899935.0,3549770.25,7019449.5,5662275.0,4046614.0,4111934.25,6209432.5,4349000.5,4450499.5,5879566.5,3767255.0,4063746.0,5880627.5,4439833.5,4156717.0,5059499.5,5471522.5,3607733.75,5513267.0,4287357.5,3370828.75,6828550.5,6515007.0,5166833.0,4232794.5,2961066.5 "829.57405 Da 819.53 s",13.66,828.56678,"PG 36:5","C42H73O10P",0.0,1186723.125,0.0,0.0,1306894.0,1194996.375,2294344.0,1866341.875,979762.5,2111600.25,1525304.5,1147596.375,0.0,1443584.375,1070333.75,1245323.5,1609575.125,1342124.75,1302139.5,1659267.25,1163702.0,1145111.25,1958677.625,709888.4375,1088573.0,1496532.375,1627742.5,1452483.375,1801098.75,1290877.25,1036235.3125,2034634.0,906226.0,1550917.625,1651545.25,0.0 "860.54124 Da 819.32 s",13.66,859.53396,"[3-(hexadecanoyloxy)-2-[icosa-5.8.11-trienoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C45H81O13P",0.0,0.0,0.0,0.0,0.0,2883295.25,0.0,0.0,0.0,0.0,0.0,4142619.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "813.55131 Da 819.30 s",13.66,812.54404,"Arachidonic acid","C20H32O2",0.0,628116.875,667926.625,0.0,1095277.125,1065082.75,607592.4375,562023.5,646054.0625,565197.9375,684569.25,1052510.375,382587.96875,1016747.9375,917545.6875,839760.875,609484.3125,1218153.625,681624.5,722899.6875,606693.375,561055.375,722751.0,645522.9375,511298.28125,684957.25,416015.125,707418.1875,699913.125,527936.9375,664338.1875,545154.4375,894366.5,495660.5,402396.40625,892287.6875 "772.52503 Da 818.97 s",13.65,771.51776,"Sphingomyelin d18:1-C22:0","C45H91N2O6P",0.0,874469.375,719345.0625,0.0,1086387.5,888572.3125,1321156.75,1021575.625,833853.1875,588329.125,955889.5,835525.6875,830963.625,882728.8125,714867.125,1569683.5,1061128.875,838356.5625,615422.0,683937.125,979571.3125,459642.1875,953159.375,849102.25,817049.5,1471674.5,0.0,1131927.25,1273238.125,675183.4375,797309.4375,704916.0625,1315435.5,1077180.75,0.0,671924.875 "827.56653 Da 818.89 s",13.65,826.55925,"PC 16:1_20:3","C44H80NO8P",1093621.5,3115330.75,1334416.375,1884605.375,3476407.5,2887100.25,4293549.5,4757523.0,2653471.75,6309383.5,3947113.25,2616304.5,4987412.0,4073519.5,3475603.5,3047937.5,5066211.0,3750069.75,3069504.5,4587658.0,2854943.5,3171503.5,5910045.0,3566698.0,2679624.0,4184238.75,3710143.0,2513146.0,5007606.5,3755717.75,3309238.5,5732898.5,5756342.5,3496614.5,3078575.75,2761372.75 "773.52748 Da 819.71 s",13.66,772.52021,"Sphingomyelin d18:1-C22:0","C45H91N2O6P",0.0,0.0,734660.75,0.0,0.0,786483.5,0.0,0.0,836705.5,551659.125,0.0,874247.25,763175.9375,0.0,0.0,827899.3125,0.0,847660.25,1048480.6875,0.0,0.0,0.0,0.0,0.0,899094.6875,558227.6875,0.0,0.0,0.0,691345.0,0.0,615848.4375,0.0,1017259.75,0.0,0.0 "713.49969 Da 819.41 s",13.66,712.49241,"PE 16:1_18:2","C39H72NO8P",0.0,463126.5625,0.0,0.0,0.0,0.0,1017314.9375,0.0,0.0,1086704.375,1177183.125,382344.65625,841807.6875,950594.6875,986890.625,670139.8125,625562.25,782647.4375,834515.0625,1251853.375,0.0,678008.125,934933.1875,0.0,0.0,720416.875,909547.8125,1001926.5,1525468.375,1022617.125,535688.75,1081287.375,1061814.125,521802.5625,1290620.125,0.0 "714.50287 Da 819.33 s",13.66,713.49560,"Palmitoleic acid","C16H30O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,993244.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,698573.75,0.0,765227.4375,0.0,0.0,865981.1875,1205291.25,796179.375,0.0,0.0 "831.50279 Da 822.00 s",13.70,830.49551,"PE(16:1e/7-HDoHE)","C43H74NO8P",0.0,656193.5,453954.25,855476.5625,571066.5,591655.8125,852482.625,638183.9375,829380.1875,912006.0,523551.09375,505974.5625,523586.0625,646715.0,565083.5,625452.625,847065.0,797375.8125,664352.375,803899.5,601329.5625,575729.0,651925.9375,497988.3125,507772.46875,563077.5625,659162.875,891985.125,770541.5625,474140.46875,999860.375,584090.4375,577061.0,552415.0,827691.875,380729.03125 "831.52281 Da 822.56 s",13.71,830.51554,"PC 36:6","C44H76NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,643230.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "737.49957 Da 820.69 s",13.68,736.49229,"PE 16:0_20:5","C41H72NO8P",849077.0625,1299608.75,1124448.0,1504072.5,1440625.25,2087299.5,3231117.5,1464982.375,2000849.0,2880575.5,1623248.625,1882922.625,1931296.125,2604840.0,1248753.75,1934822.0,1949708.0,2016196.25,2671526.25,2721633.25,1134487.125,1210152.875,2530116.0,1107332.125,1327111.125,1857430.375,1189509.875,1312118.625,1582846.0,1232937.375,1268302.875,2072661.875,1467053.125,1727176.875,1026586.25,1045504.25 "763.51529 Da 821.91 s",13.70,762.50802,"PE 18:1_20:5","C43H74NO8P",1407210.375,3040365.5,1317910.25,1396509.0,2822744.25,4309344.5,6062144.5,3517584.5,3531378.0,5676100.0,3217678.75,3252854.0,4007487.75,4928370.0,2517875.75,3611646.25,4457016.0,3809839.0,3956356.75,4965309.5,2538812.75,2166025.25,4223722.0,2809282.75,2718790.0,3719537.5,2467756.5,1984528.75,3103434.0,2605626.0,2605809.75,4572561.0,3109915.0,3100815.75,2084192.875,1661899.375 "839.56781 Da 820.69 s",13.68,838.56053,"PE(16:0/19,20-EpDPE)","C43H74NO9P",820396.4375,1360054.375,677406.5,866501.5,1496520.125,1571147.375,1403158.875,1589753.125,1282386.5,1023009.125,1477360.5,1385944.75,1356838.5,902806.8125,1275310.0,2017921.0,1476101.875,1231980.125,1423293.0,1515817.75,1123799.5,1209862.875,1217812.75,1350977.75,1554715.5,1357940.625,924125.5,1441553.75,884790.9375,1311547.875,982619.0,1368612.625,1632147.75,1154355.125,969515.75,764920.0625 "888.56423 Da 820.77 s",13.68,887.55695,"Furostane base -2H + 1O, O-Hex, O-Pen-dHex","C44H72O18",0.0,0.0,643026.0,0.0,939160.0,620159.625,1666386.125,1106014.25,558794.0625,1132255.75,1123293.625,1258498.625,2248190.0,1415551.75,939507.75,682646.6875,724434.9375,1078276.75,1179560.75,1411351.75,972845.375,1119283.125,1121628.125,892181.0625,950902.25,1882809.375,1990260.125,1718390.75,1752822.5,2051281.25,1105538.0,1941666.125,2236581.5,2183341.5,2020471.25,1611704.125 "810.52503 Da 821.54 s",13.69,809.51775,"(7E,11E)-17-{[3,4-dihydroxy-5-(2-hydroxy-4-methoxy-6-methylbenzamido)-4,6-dimethyloxan-2-yl]oxy}-27-hydroxy-3,6,8,12,14,20,22-heptamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0?,?.0??,??.0??,??]heptacosa-4,7,11,14,24(27)-pentaene-4-carboxylic acid","C50H65NO13",0.0,0.0,0.0,0.0,0.0,0.0,524010.28125,0.0,0.0,0.0,0.0,0.0,496208.28125,410359.8125,0.0,0.0,0.0,0.0,0.0,318396.90625,0.0,0.0,373748.125,0.0,0.0,0.0,0.0,0.0,505200.875,0.0,0.0,719066.75,0.0,0.0,0.0,0.0 "354.34955 Da 821.76 s",13.70,353.34227,"Tricosanoic acid","C23H46O2",0.0,1110926.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,733214.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "802.55324 Da 821.90 s",13.70,801.54596,"PC 34:3","C42H78NO8P",641470.0,0.0,0.0,1388388.375,0.0,5822505.5,7677297.5,0.0,0.0,7700568.0,0.0,0.0,0.0,0.0,795553.0,0.0,0.0,4547157.0,5469058.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "738.50373 Da 822.00 s",13.70,737.49646,"Linoleic acid","C18H32O2",0.0,1332856.875,1071227.25,0.0,1492613.5,1936123.75,3853696.25,1881299.125,2260301.0,3495114.0,1370818.75,1908421.625,2821097.0,2854462.5,1296246.75,2070399.125,2672066.0,2643019.5,2974908.0,3383262.5,1553882.875,1520088.25,2687848.25,996385.3125,1985216.625,1966855.375,1136116.125,1059973.5,1716738.625,1342797.5,913452.125,2354793.5,1336491.375,1663001.75,878197.9375,1323936.375 "833.52012 Da 822.35 s",13.71,832.51284,"PS 40:7","C46H76NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,541866.5625,0.0,0.0,480495.5,485726.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,333500.71875,0.0,0.0,0.0 "886.55628 Da 824.09 s",13.73,885.54900,"PI 38:4","C47H83O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2021222.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "812.54072 Da 825.41 s",13.76,811.53344,"Scopolamine","C17H21NO4",0.0,0.0,0.0,0.0,401724.46875,525226.875,870699.3125,439631.6875,713699.5,1040938.75,824590.6875,915262.6875,840359.5625,0.0,0.0,0.0,1048567.5,0.0,626396.9375,739961.0625,530697.1875,0.0,758456.4375,399359.0625,648083.6875,568560.25,0.0,0.0,0.0,0.0,0.0,980255.9375,417171.875,660054.4375,547347.375,476162.90625 "899.56186 Da 823.14 s",13.72,898.55458,"PI(18:1/8,9-EpETE)","C47H79O14P",0.0,835338.25,0.0,0.0,988029.3125,946574.3125,699257.125,1096496.25,439015.71875,651833.6875,919049.25,1341716.75,883425.3125,809862.5625,703988.5,1016441.125,699562.0625,1098714.375,814890.75,876785.1875,990303.875,821833.5625,968666.1875,1005960.3125,1000479.375,924915.75,521270.15625,587254.1875,687061.9375,884073.125,664604.9375,842912.25,582493.75,844566.6875,868651.875,902739.0 "872.54204 Da 823.91 s",13.73,871.53477,"PI 37:4","C46H81O13P",689445.0,1327711.125,1281580.125,1104975.125,2005778.25,1648435.25,1558102.625,1402231.375,1996475.0,1504171.625,1870451.0,2525736.5,1035635.375,1203041.125,1554767.375,1971425.0,1130663.125,2032888.75,2045070.125,1644251.25,1819806.5,1541647.75,1317759.75,1675662.125,2236558.5,1368890.25,1337509.625,1157777.125,0.0,1326570.125,1428388.5,1005960.1875,995535.0,1319662.0,1038928.1875,1758128.75 "857.53947 Da 824.23 s",13.74,856.53219,"Gramine","C11H14N2",0.0,969650.0,0.0,0.0,1035801.375,1028305.9375,585356.375,630450.1875,845052.5625,1233073.875,1172617.625,829468.5,805318.25,1104662.125,909327.75,382198.34375,1112829.375,890988.6875,989204.0,1149124.125,936939.0,1010294.4375,1033264.8125,1136886.0,841249.25,608640.5,802926.625,526299.875,736291.625,1002222.8125,933559.25,1562232.125,822724.9375,1435400.75,1123097.375,951300.75 "687.31570 Da 824.62 s",13.74,686.30843,"N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide","C27H45N9O12",2649065.25,3418077.0,3553495.25,1022577.8125,3648516.25,3399873.25,4421131.5,1808032.5,4000313.75,2124299.0,1668849.25,5034128.5,2326094.5,3784842.25,0.0,3796517.5,2874819.5,6548955.0,2908415.25,2525681.25,3664237.5,1374321.125,2897473.5,3073280.0,3161171.5,4236346.0,3440673.25,4133650.25,2044620.0,3527501.25,2585050.0,3364972.0,2562802.5,1994388.5,1918538.375,3148970.75 "822.52622 Da 825.03 s",13.75,821.51894,"Glycyrrhizate","C42H62O16",663921.3125,342364.1875,1045801.125,0.0,632908.6875,732583.25,1120309.5,0.0,979327.6875,967643.125,685716.5625,852318.25,671713.625,1410617.125,865097.25,1160316.0,539128.0625,754424.6875,1370218.0,1168091.625,1105555.625,786015.5,0.0,894714.875,0.0,1206715.0,483357.0,809077.0,550008.9375,918673.625,955563.375,1028952.75,1106620.375,589145.75,1026383.375,859836.5625 "811.53605 Da 825.53 s",13.76,810.52877,"Aleuretic Acid","C16H32O5",0.0,0.0,0.0,0.0,1014074.625,559334.25,1184480.0,670806.0625,732267.8125,1149364.375,893621.125,739782.375,817396.5,684402.0625,0.0,715115.3125,657679.3125,614116.375,952020.25,799464.125,481130.65625,768705.5,1044764.125,663914.4375,956858.25,1045655.1875,461204.3125,367593.03125,0.0,794997.625,483726.53125,706079.25,1092329.125,1028659.375,838948.8125,540982.9375 "765.52713 Da 825.64 s",13.76,764.51986,"(2-aminoethoxy)[2-[icosa-5.8.11.14-tetraenoyloxy]-3-[octadec-11-enoyloxy]propoxy]phosphinic acid","C43H76NO8P",319556.96875,0.0,0.0,0.0,0.0,0.0,603514.6875,0.0,0.0,0.0,0.0,0.0,369071.0,0.0,509155.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,385015.6875,0.0 "838.55478 Da 825.70 s",13.76,837.54750,"PI 34:0","C43H83O13P",0.0,0.0,0.0,0.0,933231.9375,1669170.5,1897337.875,1464020.75,1381011.625,2130250.25,2063311.375,2342126.75,1738160.875,0.0,0.0,1276006.0,1929162.875,0.0,541069.3125,1451618.375,1189377.25,711847.0625,1696138.125,1138231.125,2242934.25,843221.5625,0.0,0.0,0.0,463387.375,867457.8125,972262.0625,767270.3125,1354847.625,1232059.625,1061794.0 "751.51659 Da 825.96 s",13.77,750.50931,"(2-aminoethoxy)[2-[icosa-5.8.11.14-tetraenoyloxy]-3-[octadec-1-en-1-yloxy]propoxy]phosphinic acid","C43H78NO7P",0.0,0.0,947333.875,0.0,686547.75,1447524.25,841173.6875,895938.5,828591.625,1032978.25,1507645.25,1339206.125,0.0,0.0,0.0,1177195.375,435385.78125,0.0,989555.375,672415.3125,1262326.375,1381684.875,1633736.5,760762.375,1005518.5,953878.3125,0.0,0.0,0.0,0.0,997493.9375,0.0,1004271.5625,727159.25,514635.3125,555897.25 "837.55170 Da 826.13 s",13.77,836.54442,"PC 42:11","C50H78NO8P",0.0,0.0,0.0,928791.25,2690953.0,1050630.375,1765407.5,1506893.625,1276060.5,1920980.125,1647047.0,1608702.625,897808.3125,0.0,0.0,1139270.75,1454495.125,0.0,1223909.5,1378133.5,758768.8125,1946880.125,1588641.875,1089943.875,1895407.375,1265424.125,0.0,0.0,595154.3125,666817.5625,1567428.375,1288209.25,2159671.25,1040517.75,643818.25,1231101.375 "777.53393 Da 826.23 s",13.77,776.52665,"Cortisone","C21H28O5",0.0,0.0,990197.0,0.0,661441.8125,640115.375,1034802.0625,885785.625,961010.8125,1618441.375,720421.875,777455.25,507708.5,0.0,0.0,1202744.375,567825.875,0.0,729371.8125,1291651.375,1034261.375,598302.5625,589972.0625,660599.0625,713724.6875,1110878.5,0.0,0.0,0.0,1110338.875,739444.5625,798783.5625,869972.3125,888395.375,846166.1875,436462.0625 "778.53570 Da 826.35 s",13.77,777.52843,"PC 37:6","C45H78NO8P",0.0,0.0,0.0,0.0,525851.9375,1029622.625,1106650.5,1382318.875,560456.25,698949.25,1457846.625,1441427.375,546036.0,0.0,0.0,363653.1875,566701.4375,0.0,1048306.6875,704600.1875,542324.0,910762.6875,1033621.75,906491.5,1295625.375,773820.375,0.0,0.0,0.0,652448.9375,0.0,499597.75,773553.9375,358554.59375,0.0,761301.3125 "877.58374 Da 827.54 s",13.79,876.57646,"PC 18:1_22:6","C48H82NO8P",3229184.0,1.1249412E7,4684540.5,2986151.5,1.0309314E7,1.079759E7,1.6391301E7,1.4738507E7,1.0375045E7,1.4990168E7,1.2484436E7,8323001.5,1.1985948E7,1.0581548E7,1.0244196E7,1.2215022E7,1.356554E7,1.2388134E7,1.1841665E7,1.3673908E7,8709530.0,9736166.0,1.3971218E7,1.1686227E7,9886698.0,1.2855142E7,8457189.0,7704515.5,8014898.0,1.1381665E7,9933493.0,1.3107692E7,1.2009221E7,1.1812651E7,9891893.0,7585288.5 "844.54675 Da 828.46 s",13.81,843.53947,"PC 42:7","C50H86NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1670327.25,0.0 "848.54173 Da 826.58 s",13.78,847.53445,"PI 35:2","C44H81O13P",1258695.5,1186677.625,913170.125,825171.0,1120685.25,805345.75,1751176.75,1040030.0625,1015683.6875,1399157.375,1149232.875,1455227.875,2502426.0,1623640.375,1262550.375,1210811.375,1106696.125,1222590.375,1318839.25,1433016.75,1430715.125,1157255.25,1304936.125,1336736.875,1183450.375,2036784.25,2072732.625,2070992.875,2079844.25,1562926.125,1279750.5,2054813.625,2258156.75,1926373.625,2042485.25,1912679.875 "851.56790 Da 827.39 s",13.79,850.56062,"PC 16:0_22:6","C46H80NO8P",7344930.0,1.169022E7,7916314.0,4073999.75,1.2094894E7,1.5027161E7,1.8157076E7,1.4689546E7,1.3942489E7,1.8978228E7,1.4595121E7,1.3970479E7,1.0313385E7,1.3822222E7,1.0266394E7,1.5936863E7,1.6253663E7,1.5840919E7,1.5414461E7,1.5790504E7,1.1299592E7,1.1364278E7,1.8029714E7,1.0817396E7,1.5153733E7,1.3441184E7,7815696.0,9312118.0,8725194.0,1.0909906E7,1.1453337E7,1.2915378E7,9307287.0,1.0414017E7,8406812.0,8881999.0 "819.54144 Da 829.58 s",13.83,818.53416,"PS O-40:7","C46H78NO9P",553967.1875,712651.875,1503863.75,874746.25,3095101.25,2926623.25,4003197.5,3862787.75,2795743.75,4636100.0,5374434.0,4563467.5,1612582.25,795682.5625,632232.25,2769757.25,2960577.5,0.0,2978030.5,3267068.25,2382010.0,2612991.5,3939662.25,3548896.0,4235700.0,1597552.0,0.0,1106762.875,0.0,1400341.5,1440944.875,2025272.25,1297804.625,1456299.125,1394365.125,1890225.5 "844.54653 Da 826.82 s",13.78,843.53925,"PG 42:9","C48H77O10P",986865.1875,2157330.75,1476440.25,1000655.5,1810806.375,1354755.75,1514231.125,1259525.25,1033013.0,1323885.125,1725225.625,2529678.0,1320464.0,1871020.5,1663745.875,1684639.375,1071198.5,2386762.75,1895645.75,1235835.125,1755628.75,1641819.75,1264121.625,1439932.75,1925794.625,1529652.125,1358488.625,1643273.125,1336528.125,1691640.5,1298610.25,1288304.25,1384601.75,1168016.875,1825200.0,1707800.375 "908.56391 Da 826.85 s",13.78,907.55664,"[2.3-dihydroxypropoxy][3-(hexadecanoyloxy)-2-[octadec-9-enoyloxy]propoxy]phosphinic acid","C40H77O10P",0.0,0.0,0.0,0.0,586154.0625,0.0,524648.625,0.0,545331.5625,975863.3125,0.0,861510.6875,256479.03125,0.0,0.0,0.0,0.0,0.0,652665.0625,658107.0625,406350.125,0.0,600669.3125,375782.71875,714017.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "849.54616 Da 826.96 s",13.78,848.53888,"Phosphatidylserine 19:0-22:6","C47H80NO10P",707435.875,1414252.75,912147.75,0.0,1174796.75,1134469.5,1566869.25,1079057.125,1067174.0,1310531.0,1200283.875,1819230.875,3059944.75,1757006.625,1420530.875,1274065.0,1188271.375,1376528.875,1400507.625,946520.0625,1647782.875,1201691.25,1648330.125,1386415.375,1209114.0,2098357.5,2253502.75,2358306.25,2292414.0,1959928.25,1113238.25,2476050.0,2637902.0,2337605.25,2487901.5,2356402.25 "426.37089 Da 827.09 s",13.78,425.36362,"Lignoceric acid","C24H48O2",473971.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "695.48927 Da 827.21 s",13.79,694.48199,"PE O-34:5","C39H70NO7P",0.0,0.0,0.0,0.0,911896.875,779498.875,0.0,0.0,0.0,0.0,0.0,1228792.625,926875.6875,0.0,0.0,1224399.375,0.0,1343612.625,1144550.5,0.0,0.0,0.0,0.0,0.0,1040542.625,965949.75,0.0,0.0,0.0,1017825.0,711915.4375,1252134.125,0.0,768929.5,0.0,823482.6875 "766.53366 Da 828.58 s",13.81,765.52639,"Aleuretic Acid","C16H32O5",0.0,0.0,0.0,0.0,0.0,0.0,618036.1875,824253.1875,474318.375,0.0,0.0,0.0,0.0,783943.3125,0.0,0.0,0.0,560995.0625,387739.0,0.0,0.0,0.0,0.0,0.0,352440.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "285.27498 Da 827.60 s",13.79,284.26770,"isoliquiritigenin","C15H12O4",0.0,1504370.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,524257.90625,0.0,272968.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "840.57080 Da 827.70 s",13.80,839.56352,"PE(18:2/12-HETE)","C43H74NO9P",0.0,1331158.0,0.0,0.0,699434.0625,990922.9375,2160385.75,2297980.25,792525.6875,876607.6875,750685.875,775551.5,1891954.75,1558816.5,1306644.375,544783.0625,1816396.25,787609.125,1314014.75,800736.1875,1774056.125,1483736.75,779761.9375,1737701.75,938758.25,1751179.0,1161608.125,989832.3125,0.0,1496333.875,1128261.125,2139002.5,1925355.0,1462097.625,1630504.625,854340.0 "789.55179 Da 827.90 s",13.80,788.54451,"(10E,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid","C18H32O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,968788.3125,678107.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41192 Da 828.05 s",13.80,409.40464,"Squalene","C30H50",673857.0625,893892.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "748.52490 Da 828.39 s",13.81,747.51762,"PG 16:0_18:1","C40H77O10P",586622.0,0.0,697045.3125,0.0,1015057.4375,586290.625,1150822.625,658654.875,500556.6875,840434.625,851233.3125,808630.0,581822.6875,1285992.5,992743.6875,615804.4375,698510.25,0.0,568579.1875,970933.9375,628435.6875,667567.5,392111.71875,615762.5,486627.4375,1928108.125,1050420.125,932981.5,990673.625,1167980.0,1212622.375,609285.5625,567816.0,734774.75,1177772.75,992762.625 "810.55981 Da 828.53 s",13.81,809.55253,"PC 35:5","C43H76NO8P",0.0,1546697.875,1485144.0,1157005.125,2635505.25,4835401.5,4162804.75,2863664.75,3496608.0,3233263.5,2330223.5,3298770.75,1008305.0,2151290.5,1573834.125,4685040.0,3691318.0,2820473.0,3282686.0,3253252.5,2046398.625,1554839.375,2793803.75,2329088.25,3546898.75,1754711.25,0.0,0.0,0.0,0.0,577127.5,1240934.125,0.0,588083.875,0.0,1133142.875 "775.53793 Da 829.98 s",13.83,774.53065,"PC 16:0_16:2","C40H76NO8P",1033080.625,1457858.75,977698.5,1140508.875,2151305.25,2404765.75,4538708.5,2681821.75,2696522.0,4788358.5,2901311.25,2374384.0,1823492.5,3111657.75,1426406.125,3272857.75,3689514.75,2731946.5,3353825.5,4120515.0,1795196.5,2053500.375,4683002.5,2661207.0,2643126.5,0.0,1064623.625,1152353.75,1284943.25,1774799.25,3745840.25,2226695.0,2885020.0,1755984.625,2554320.25,0.0 "809.55696 Da 829.69 s",13.83,808.54968,"PC O-36:6","C44H78NO7P",1021678.5625,1207468.75,1238890.125,1683433.5,2109466.5,3424508.25,2842011.75,1701071.5,2331702.0,2123871.75,2108378.5,2354094.0,1036872.5625,1706746.0,1250524.75,3339008.5,2515294.0,2454256.5,2485250.5,2360608.5,1864418.125,1424068.125,1902936.5,1617431.375,2369717.0,1243018.875,508695.78125,1001982.5,1063500.0,1285035.25,1694325.0,871854.75,1380919.0,1046685.625,753520.4375,964358.25 "848.54234 Da 830.85 s",13.85,847.53507,"PI 35:2","C44H81O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1420873.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "835.57233 Da 829.92 s",13.83,834.56506,"PC O-38:7","C46H80NO7P",0.0,1434021.25,812603.3125,937615.25,787713.5625,1228770.5,1389656.25,1130735.75,904131.75,1629568.0,786869.1875,744423.875,558781.4375,1571426.75,1298284.625,960038.5,1257834.75,744436.5625,1035091.5,1073377.125,1471124.875,1287474.375,1005850.875,692318.9375,1008268.25,990945.4375,0.0,0.0,0.0,872741.5,1055264.25,827928.0,629947.9375,819426.1875,418030.90625,590096.375 "845.55273 Da 828.59 s",13.81,844.54546,"PS O-42:8","C48H80NO9P",1105858.375,2633253.75,2100165.25,476805.71875,2839347.25,1327801.125,3035836.5,1391942.0,2430814.5,1252069.0,1616837.125,4490227.5,2178124.0,2581405.75,998864.0,2883127.5,1116519.625,2970774.5,0.0,1401598.375,2970629.5,2782859.5,2993314.25,1324193.125,1726481.5,1014710.5625,2028506.0,2290760.5,1958721.375,2306515.25,788908.6875,1244043.125,2097288.25,2181476.25,2648682.0,3177739.0 "802.55564 Da 828.72 s",13.81,801.54836,"PE 34:3","C39H72NO8P",766362.3125,1945764.0,1034429.0625,0.0,2506867.75,2634280.25,2127484.0,2874013.25,2592649.5,4669896.5,1327094.0,989063.75,3301650.25,1239284.375,1066930.375,2866862.5,3698801.0,2197761.25,2180693.0,3405671.25,2443345.75,2563908.75,1615846.625,2448069.5,2479770.25,3052799.0,0.0,1585427.0,1969723.5,1961789.625,1839315.5,3381741.75,2499534.75,3116770.5,1712947.625,1650370.25 "801.55205 Da 830.01 s",13.83,800.54477,"PC 34:3","C42H78NO8P",0.0,3846221.5,1852490.375,1583694.625,2179754.75,5211104.5,0.0,5153092.0,2041038.0,4772408.5,5692610.5,4738125.5,6243460.0,4105138.5,3732898.75,5670601.5,7979955.5,4357859.0,5507098.0,2876080.0,4257200.0,1882729.5,3064905.25,4860658.5,4874217.5,2521916.75,3730471.5,0.0,4151455.0,4234716.0,3647266.5,3169342.5,2327324.75,2217544.5,3411942.75,3491997.5 "787.53631 Da 830.03 s",13.83,786.52904,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,1087493.0,992902.1875,1296032.375,1265590.0,1016994.1875,1478213.75,1539656.0,995820.1875,1062716.0,0.0,0.0,923341.4375,1458237.0,0.0,958764.3125,1254342.375,798631.4375,735299.25,1629190.75,1127802.875,779770.5,780753.3125,0.0,0.0,0.0,929678.25,658390.5625,1018834.75,846031.3125,1236587.5,807430.875,830429.8125 "827.56714 Da 830.89 s",13.85,826.55987,"PC 36:4","C44H80NO8P",0.0,4447218.5,0.0,0.0,0.0,0.0,0.0,5788213.5,0.0,6657613.0,0.0,0.0,0.0,0.0,4111615.5,0.0,0.0,0.0,0.0,6820048.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3284369.75,0.0,2475129.75,0.0,0.0,0.0,6088555.5,0.0 "739.51456 Da 830.23 s",13.84,738.50729,"Vaccenic acid","C18H34O2",0.0,1117165.375,0.0,0.0,971154.8125,1062814.375,1242607.625,1024413.25,656259.375,1049847.375,1185538.125,721977.25,1187837.0,777037.625,1016558.0625,909976.8125,1119815.0,1062260.875,1252940.625,701562.8125,881413.0,832091.0625,852003.5625,952639.6875,737752.0625,892683.25,1185273.875,721948.4375,1263679.875,1319326.125,1144598.375,1244741.375,1336391.5,1864006.75,967034.3125,646732.3125 "749.52760 Da 831.89 s",13.86,748.52033,"[2.3-dihydroxypropoxy][3-(hexadecanoyloxy)-2-[octadec-9-enoyloxy]propoxy]phosphinic acid","C40H77O10P",0.0,0.0,587458.4375,0.0,583879.6875,0.0,0.0,0.0,480415.09375,0.0,0.0,0.0,481103.3125,0.0,0.0,758568.375,0.0,777199.75,729857.0,0.0,613213.1875,0.0,0.0,0.0,0.0,364092.84375,332084.5625,850260.75,527296.125,425287.1875,851953.75,649127.9375,652454.8125,783845.5,0.0,1102963.375 "844.52776 Da 830.29 s",13.84,843.52048,"PG 42:9","C48H77O10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,481005.46875,0.0,502302.125,0.0,0.0,0.0,0.0,530095.5,0.0,482255.25,620882.1875,0.0,0.0,0.0,245814.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "843.52715 Da 830.90 s",13.85,842.51987,"PG 42:9","C48H77O10P",0.0,684357.375,551427.6875,0.0,556656.1875,509077.46875,768747.625,786912.75,362405.28125,1158697.5,839324.4375,765172.625,355754.25,530522.3125,495748.4375,536289.25,1184455.375,906754.875,560033.6875,982234.75,544309.4375,639716.9375,1087302.625,388738.1875,819152.75,633311.0625,0.0,0.0,542517.4375,263318.96875,658945.1875,0.0,425860.8125,536733.125,0.0,462149.34375 "774.54029 Da 833.06 s",13.88,773.53301,"PC 32:2","C40H76NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,823019.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "978.54502 Da 832.17 s",13.87,977.53774,"6-[[(3S,6aR,6bS,8aR,14bS)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,13,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","C47H74O17",704984.1875,856168.875,1133678.375,0.0,890701.5625,1045913.625,1010849.4375,797786.875,917539.4375,1082470.75,0.0,1169776.625,802082.5625,791400.5,837752.5625,1151436.25,746999.0,1179574.25,746693.4375,1076952.5,961795.0,982300.75,873988.75,975884.6875,649490.5,870321.1875,0.0,905983.25,0.0,485536.375,818771.125,0.0,714862.625,604977.0,534808.9375,1066314.375 "751.51486 Da 831.68 s",13.86,750.50759,"(2-aminoethoxy)[2-[icosa-5.8.11.14-tetraenoyloxy]-3-[octadec-1-en-1-yloxy]propoxy]phosphinic acid","C43H78NO7P",0.0,618050.5625,0.0,0.0,894983.8125,511684.78125,1222672.75,1093717.5,889463.1875,1310435.0,1200230.625,895323.3125,790298.0,538520.8125,468878.75,1044386.0,1033524.5,799072.1875,561136.6875,943047.0,755894.375,704846.75,583998.75,752569.8125,0.0,519289.65625,938416.5625,0.0,404093.375,698820.625,0.0,0.0,913207.625,0.0,0.0,0.0 "816.57142 Da 831.95 s",13.87,815.56415,"Cholic acid","C24H40O5",0.0,2180598.5,793210.0625,730836.4375,2347425.0,2328772.0,3018603.0,2887834.75,2113164.75,2916024.0,1401434.75,1645700.625,2206068.75,1094252.75,2011689.625,2471915.75,3132298.5,1848690.125,2176491.0,2821173.75,1916832.75,2279413.75,2812591.25,2768177.5,1993322.25,2328164.0,1858579.625,1254408.875,1795025.625,1950190.125,1450562.625,2543291.5,2607926.5,2284687.5,2015449.125,1352329.375 "910.55794 Da 831.92 s",13.87,909.55067,"PI 18:0_22:6","C49H83O13P",1762420.5,2664233.0,3302468.0,1278700.0,2817405.25,3146646.0,4317788.0,2709337.25,3878302.5,4046612.5,3451921.25,5444196.0,2682184.25,3620971.0,2831258.25,3926207.25,2784310.25,4557682.0,4669686.5,4183258.75,3825202.5,2812247.25,3263412.75,2927710.5,3747763.75,3094113.25,1807821.375,3026884.75,1930377.375,2737968.5,2469085.25,2889285.0,2562727.0,3302403.5,2308615.0,3803835.75 "839.56714 Da 831.92 s",13.87,838.55986,"Phosphatidylserine 18:0-22:4","C46H82NO10P",0.0,0.0,636181.5,0.0,1243647.0,0.0,0.0,1347220.5,1552986.75,528399.3125,1460055.875,913277.0,819581.8125,892696.25,439064.65625,1630966.375,1887351.75,1653070.0,923638.5,999546.25,970688.375,0.0,0.0,1237172.875,819968.6875,615578.625,0.0,782110.75,0.0,740900.0625,793086.3125,1094787.5,724110.375,815816.6875,0.0,809541.0625 "815.56753 Da 831.16 s",13.85,814.56026,"PC 35:3","C43H80NO8P",1072819.625,1915580.5,840674.0625,959441.5,2098300.5,1894148.75,2632173.25,2206124.0,1769086.625,2561746.5,2426754.25,1851673.625,2469753.25,2159513.25,1845398.5,1902345.5,2317291.5,1884651.75,2016208.75,2358961.5,1954812.75,2158348.25,1981549.0,2097782.25,1817327.875,2298027.5,1535926.5,1356939.75,1778972.25,1954890.625,1549824.25,2482970.75,2466586.0,2139417.25,1908052.375,1515526.75 "396.39636 Da 831.48 s",13.86,395.38908,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,546474.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,826820.25,0.0,0.0,0.0,0.0,0.0,0.0 "913.57110 Da 833.07 s",13.88,912.56382,"PI 40:5","C49H85O13P",0.0,972440.4375,368781.59375,0.0,0.0,873383.3125,1714179.875,469241.71875,1036929.5625,1182908.25,0.0,1307529.375,1566479.375,1339479.625,997583.125,1237054.0,953419.6875,432731.40625,1198352.25,0.0,1182599.0,956863.3125,1292501.625,536455.9375,1029078.25,0.0,1030171.5625,1486277.625,0.0,0.0,1141502.875,1140691.0,0.0,0.0,0.0,675893.125 "615.51555 Da 833.39 s",13.89,614.50828,"Imipramine","C19H24N2",0.0,1050353.625,367998.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,489682.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36500 Da 833.59 s",13.89,367.35772,"Lignoceric acid","C24H48O2",0.0,4261625.5,0.0,0.0,0.0,0.0,0.0,1122621.0,1197128.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,804299.75,0.0,0.0,242899.984375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1204789.0,939370.6875,685634.875,0.0,0.0,0.0 "912.57066 Da 833.86 s",13.90,911.56338,"PI 40:5","C49H85O13P",700089.75,2347707.0,0.0,0.0,0.0,0.0,3481879.5,0.0,0.0,0.0,1169893.375,3332898.75,4530174.0,0.0,902710.125,3025296.0,0.0,0.0,0.0,0.0,2686690.5,0.0,0.0,0.0,0.0,4138116.5,3133957.75,0.0,1163826.5,0.0,0.0,3915183.25,2021684.625,2547309.5,0.0,3475063.5 "340.33397 Da 834.09 s",13.90,339.32670,"Behenic acid","C22H44O2",0.0,0.0,0.0,330948.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,668629.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,616144.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34924 Da 834.10 s",13.90,353.34196,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,381605.71875,1041616.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1602996.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,957588.75,984569.6875,1167957.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "860.54129 Da 834.43 s",13.91,859.53402,"[3-(hexadecanoyloxy)-2-[icosa-5.8.11-trienoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C45H81O13P",1072093.625,1021059.25,1497839.5,806571.625,911233.25,1230755.75,1536087.875,1764708.125,0.0,2551393.5,1999550.0,2404719.75,3275638.75,1741166.5,2153688.25,2373945.75,1568608.75,1958954.375,1778533.625,1613898.875,988134.3125,1697741.875,1216752.75,895635.625,1978314.625,2970294.5,0.0,1610805.375,2575965.75,2569286.25,1934390.75,2914931.5,1732948.875,3092826.0,1326308.25,1731006.625 "733.50355 Da 834.52 s",13.91,732.49627,"Corticosterone","C21H30O4",0.0,824249.875,0.0,0.0,874399.875,0.0,751129.9375,1097910.125,790323.3125,962241.3125,1103510.0,727443.5,924208.0,1143056.375,0.0,979131.8125,958019.875,542847.875,669244.1875,693276.25,336474.59375,817148.9375,1108145.875,1015486.75,724405.0,0.0,0.0,0.0,0.0,0.0,0.0,877683.75,0.0,725092.125,0.0,0.0 "860.54291 Da 836.72 s",13.95,859.53564,"[3-(hexadecanoyloxy)-2-[icosa-5.8.11-trienoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C45H81O13P",0.0,0.0,0.0,0.0,0.0,0.0,2991373.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1823842.0 "908.59106 Da 834.58 s",13.91,907.58378,"6-[[(3S,6aR,6bS,8aR,14bS)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,13,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","C47H74O17",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,639619.3125,782851.5625,648494.75,851192.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,809598.375,0.0,562181.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "813.55199 Da 835.12 s",13.92,812.54472,"PC 40:9","C48H78NO8P",0.0,0.0,0.0,0.0,741935.125,933634.1875,667067.625,601455.6875,1064664.875,836571.1875,692695.25,586698.875,1743175.625,0.0,0.0,409353.0,474641.0,0.0,523960.0,1080827.25,755714.875,832164.6875,676605.5,517702.625,751804.125,1211266.125,0.0,0.0,0.0,865073.125,445645.4375,819066.0625,863488.4375,736424.3125,1127127.125,714629.375 "874.55253 Da 835.04 s",13.92,873.54525,"PI(16:0/12-HETE)","C45H79O14P",0.0,0.0,0.0,0.0,0.0,0.0,803685.25,0.0,0.0,0.0,0.0,0.0,0.0,603697.25,269298.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,546341.3125,0.0,0.0,616916.3125,659268.25,708080.375,695435.5,0.0,692190.25,903781.0,796870.0625,365450.125,896827.8125 "789.53087 Da 837.10 s",13.95,788.52371,"PE 18:1_22:6","C45H76NO8P",2423804.0,7539097.0,3161187.0,2375757.0,8042358.5,8260215.0,9960881.0,7220982.0,7980804.0,9284435.0,7692451.5,6958585.0,8725604.0,9021726.0,7284479.5,8874156.0,8328120.5,8366311.5,8214388.5,9824680.0,7101508.0,5723982.5,8073620.0,6402172.5,5794159.0,9034334.0,6497346.0,4680351.0,7597489.0,6652246.5,5459900.0,9645971.0,8839952.0,7180184.5,6040923.5,4445070.0 "832.50591 Da 836.14 s",13.94,831.49863,"Phosphatidylinositol 16:1-18:2","C43H77O13P",0.0,0.0,0.0,0.0,927151.5625,1275690.75,1106941.0,613588.8125,1068983.75,1084112.625,0.0,585959.25,1047900.8125,874519.8125,594605.1875,1281358.5,1355100.625,1392515.875,1214068.875,1211290.375,1090548.5,0.0,1128634.5,927360.125,1095297.125,603415.1875,0.0,0.0,750842.375,0.0,0.0,1008496.8125,0.0,0.0,0.0,0.0 "857.51874 Da 836.70 s",13.95,856.51146,"PI 36:4","C45H79O13P",566543.6875,902918.0,592876.4375,700017.8125,1130637.125,1156792.5,1037704.25,1001313.375,1003315.3125,1202616.0,1069616.25,1036227.6875,976716.375,1176116.5,817555.9375,1087989.125,903028.1875,1352972.75,1056191.0,890748.9375,1083136.125,902404.0625,898619.5625,977130.6875,891627.3125,1175878.625,972714.1875,704925.0625,1120754.375,1193167.875,896970.8125,1128110.125,1073214.75,880461.9375,1065277.5,738961.0625 "763.51529 Da 837.22 s",13.95,762.50802,"PE 16:0_22:6","C43H74NO8P",1544341.875,4153925.0,3059422.75,2052399.75,6237379.5,7727352.5,7913737.0,4481240.0,5788990.5,7804860.5,4678403.0,7147020.0,5372299.5,8103993.0,3559653.5,9296139.0,6522728.0,8932442.0,7254892.0,7636368.5,5700667.5,3802428.25,6836390.0,4544112.0,5610677.5,5880839.0,3124879.5,3041781.25,4400293.0,4072234.0,3671661.25,6362250.0,4811853.0,4471679.5,2630773.5,2909060.25 "811.57207 Da 837.48 s",13.96,810.56479,"PC O-36:5","C44H80NO7P",1463252.25,3834081.0,2153764.25,1121035.0,3293468.0,5571424.0,5038651.5,4031170.0,4050661.0,4645946.0,3907826.5,4184495.0,1182365.875,4576365.5,3387023.5,5373898.5,3766973.75,5259303.0,4035988.25,4747733.5,2652209.75,2935163.5,4198159.5,3797867.75,4744776.0,2322626.5,1625312.875,1250585.875,1162585.625,1554624.5,1736960.5,2003521.75,1004792.25,1374027.25,1148034.125,1318814.5 "765.52622 Da 837.16 s",13.95,764.51895,"Elaidic acid","C18H34O2",323782.15625,0.0,1114242.0,982465.4375,2445896.75,2957105.25,3032562.0,2038610.75,2249452.25,2870052.5,1924839.875,2632513.5,2642462.75,0.0,1510294.25,3644671.75,2401727.25,3287794.25,3319775.5,3154521.5,2283568.0,1529948.125,2163764.25,1537223.75,2209471.0,2880209.0,1756569.125,1572438.875,2012865.625,2172072.0,1887969.5,2822134.0,1034278.0,1282044.5,1726476.375,1538642.125 "837.58680 Da 836.90 s",13.95,836.57953,"PC O-38:6","C46H82NO7P",1106381.5,1388826.625,696998.0625,1149631.25,1329253.125,2081023.75,2306380.5,2015446.125,1553182.375,2459724.5,1780753.0,1946488.25,948917.0,1737202.125,1192989.125,1995789.0,1893507.375,1645450.5,1222613.0,1826614.625,1110752.25,1166136.875,2325815.5,1427771.5,1859715.0,1095585.75,755908.125,0.0,1203478.0,683137.8125,1955673.0,786584.6875,1228230.5,1298986.5,345680.0625,1366030.875 "492.36615 Da 836.98 s",13.95,491.35888,"Docosatetraenoic acid","C22H36O2",0.0,1185218.75,1360004.875,0.0,0.0,0.0,1009794.8125,0.0,1429476.625,0.0,1274263.875,1381687.125,0.0,0.0,0.0,0.0,0.0,1151724.75,0.0,1267765.875,1336519.125,0.0,1170290.125,1407449.875,1160502.5,0.0,0.0,1232787.875,0.0,718578.8125,1343386.875,0.0,1356149.0,0.0,0.0,0.0 "821.57588 Da 838.69 s",13.98,820.56860,"Sphingosine","C18H37NO2",0.0,0.0,769233.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,833177.75,889021.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,489874.5625,909476.5,1256188.75,575131.75,0.0,0.0,0.0,0.0,695919.625,0.0,0.0 "880.60115 Da 839.39 s",13.99,879.59387,"PC(18:1e/20-HDoHE)","C48H84NO8P",3538803.25,1.2695607E7,4784746.0,2792426.5,1.2066227E7,9129315.0,1.4666738E7,1.6235109E7,9910574.0,1.4274342E7,1.4004954E7,7298452.5,1.6684486E7,1.2623266E7,1.3601655E7,1.1767405E7,5134881.0,1.0828051E7,1.1000995E7,1.2197898E7,1.0456133E7,1.2313095E7,1.425984E7,1.2798222E7,9565482.0,1.7588536E7,1.3315198E7,1.0090401E7,1.2609569E7,1.6619616E7,1.2162187E7,1.9000028E7,1.897037E7,1.5557195E7,1.4067941E7,1.0037057E7 "747.51988 Da 841.61 s",14.03,746.51260,"Abietic acid","C20H30O2",1023646.75,1893675.5,1339085.375,947614.6875,2103890.75,3345008.25,3091546.0,2454367.5,2383795.25,2461104.5,1981787.75,2009935.625,2007819.5,2001736.375,1464462.875,2846646.0,2242681.0,2459452.25,2712828.5,2459382.5,1690350.875,1382217.875,2544796.25,1833816.0,2008543.25,5830303.5,1267969.75,1240480.375,1337391.625,2518908.75,1784301.0,1603812.375,1803424.125,1866104.75,1319756.0,3110758.25 "722.50711 Da 840.54 s",14.01,721.49984,"Abietic acid","C20H30O2",2810021.0,7433703.0,4600803.5,2904453.75,7266854.0,1.1746242E7,1.1454064E7,7668127.0,1.035181E7,9869254.0,7825514.0,1.0973649E7,7427485.5,1.0574036E7,6858368.0,1.2436731E7,7899593.0,1.2706486E7,1.2955525E7,1.1167641E7,6748352.5,5895642.0,8732042.0,6834615.0,8427819.0,4550325.0,4286645.5,4646476.0,4834793.5,6578200.5,6749740.0,6332299.0,6731599.5,7555766.5,4650481.0,5499988.0 "827.56781 Da 841.61 s",14.03,826.56054,"PC 16:0_20:4","C44H80NO8P",6109698.5,1.5255753E7,1.3710142E7,6005827.0,2.2131664E7,2.726873E7,2.3787224E7,2.2870862E7,2.4920928E7,2.1151256E7,2.145939E7,2.4320198E7,1.7249938E7,1.5544716E7,1.4426026E7,2.8691582E7,2.2858666E7,2.5497344E7,2.663236E7,2.2281756E7,1.8259236E7,1.5650296E7,1.8860854E7,1.8246446E7,2.4003048E7,2.0210014E7,1.0091026E7,1.1165118E7,1.1751444E7,1.5921207E7,1.6183932E7,1.863887E7,1.4184162E7,1.6010801E7,1.2341888E7,1.2774033E7 "721.50469 Da 841.08 s",14.02,720.49741,"PE O-36:6","C41H72NO7P",2687975.0,6336982.0,4846751.0,2757754.5,7932994.5,8897747.0,8715438.0,7807953.5,8240342.5,8804857.0,6195735.5,8280460.0,5528645.0,8413193.0,5761700.5,1.0826379E7,7110037.5,9882071.0,1.0263715E7,9824886.0,6293567.5,4540106.5,7226035.0,5765300.0,6763749.5,7393685.0,4369383.5,4543898.5,4852944.5,6013662.5,6105315.0,6358646.0,5766460.0,6305012.0,4441977.0,4755347.0 "853.58368 Da 841.62 s",14.03,852.57640,"PC 18:1_20:4","C46H82NO8P",9562144.0,2.233079E7,1.287404E7,6574306.5,2.7066788E7,2.5393782E7,2.7185376E7,2.969611E7,2.1446746E7,2.5215878E7,3.0063558E7,2.000672E7,2.4787566E7,1.9890484E7,2.2662798E7,2.7016682E7,2.6694242E7,2.768549E7,2.5103976E7,2.5101864E7,2.3407828E7,2.051814E7,2.2636538E7,2.2748136E7,2.2947394E7,2.6780228E7,1.858201E7,1.6642588E7,1.86884E7,2.2986378E7,2.02108E7,2.7475388E7,2.618472E7,2.3098822E7,1.9654114E7,1.5721646E7 "748.52384 Da 840.91 s",14.02,747.51657,"Abietic acid","C20H30O2",0.0,948981.0625,1088706.25,0.0,2483212.0,3556637.75,3255038.0,748867.9375,2884971.75,3301807.0,776443.9375,2246374.25,2222162.0,3227562.0,2033739.875,4264942.0,2397379.0,1491828.5,2982466.25,2914736.75,760448.375,1462465.25,2873489.75,566230.375,2055854.75,3498619.25,1313129.25,647001.1875,1495977.625,2463555.0,1224943.0,2614420.25,2472277.25,1024567.0,704855.375,920516.125 "879.59922 Da 840.98 s",14.02,878.59194,"PC 18:1_22:5","C48H84NO8P",2395011.0,7995834.0,3181728.0,2121773.5,7872155.0,7028221.0,9968498.0,1.10622E7,6163287.0,9049147.0,1.0057994E7,5587631.0,1.1579422E7,8544181.0,8008071.0,7915108.5,8445213.0,7359233.5,8249682.5,8803769.0,9179364.0,7789450.0,1.0370052E7,9058431.0,7434318.0,1.1373951E7,8130361.0,6963271.0,7901108.0,1.1416601E7,8035109.0,1.2967602E7,1.2096351E7,1.0712119E7,8791079.0,7071043.5 "922.57450 Da 839.39 s",13.99,921.56722,"PC(16:0e/7-HDoHE)","C46H82NO8P",1632987.125,2143125.0,1906270.125,1467985.375,1455184.75,2261145.0,1129067.125,2326384.5,2237497.0,2085600.375,2736763.25,1767231.75,2411699.0,2150512.5,2416597.75,2256288.0,2277798.0,2563919.25,1908760.125,2094622.25,1985594.75,2597261.0,1885775.125,2690786.5,2300204.0,2379038.25,1330239.5,2192988.0,2483318.75,2312209.5,2180466.75,855492.5,2630132.75,2568326.25,2344606.25,1866529.25 "841.58232 Da 839.84 s",14.00,840.57505,"Hexadecanedioic acid","C16H30O4",0.0,1079432.0,0.0,0.0,1264299.125,1082694.875,1466993.125,1311574.5,1222532.875,1670812.5,1547031.25,873019.625,2230724.25,1273757.25,959373.5,1089529.625,1827638.25,919019.25,1289087.5,1506985.875,1012941.1875,1156657.875,1523590.5,995142.4375,692733.5625,1642445.75,1509498.875,653237.8125,1662888.625,1256410.125,1373836.875,2278310.0,2220877.5,789790.5,1297001.375,1368465.125 "829.57315 Da 842.25 s",14.04,828.56587,"Phosphatidylcholine 17:1-18:2","C43H80NO8P",2537155.0,6878407.0,6209606.0,2690411.75,7651297.5,1.1587874E7,1.0440622E7,9837234.0,1.1033507E7,8956788.0,9028360.0,1.0576121E7,0.0,2695227.5,6651529.5,1.4117676E7,9521015.0,1.161845E7,1.141907E7,9752487.0,8471870.0,7901564.5,7440040.5,7169683.0,1.149845E7,8240957.0,4078633.75,0.0,0.0,7234909.5,6950014.0,9196260.0,0.0,6525731.0,4893797.5,0.0 "912.57276 Da 844.25 s",14.07,911.56548,"PI 40:5","C49H85O13P",1492997.375,1995744.25,2200679.75,734395.375,6093534.0,2202435.0,3002677.0,1774969.625,2677757.5,1040729.1875,2690530.75,4166821.25,0.0,2205295.75,2218334.0,2596218.75,1821233.5,2645021.75,2696972.25,2937638.25,2460715.75,2607300.75,2140389.0,2469603.5,2878669.25,2820447.25,1068534.625,2259405.25,0.0,2288784.0,2422880.5,2201589.75,0.0,0.0,2534644.75,3642097.25 "795.54143 Da 843.92 s",14.07,794.53415,"PS O-38:5","C44H78NO9P",0.0,0.0,1118494.125,679142.8125,2453204.75,3417150.5,2695290.5,2953360.75,3006162.75,2899009.75,2859793.0,3874488.5,4004311.25,0.0,0.0,2543816.0,2713881.75,0.0,2577062.0,3052686.25,2247064.5,1949843.5,2861775.5,2160876.25,4483418.5,1838448.25,0.0,0.0,0.0,1783254.5,1292348.0,1908850.375,1635209.125,1669644.125,1509332.5,2523283.5 "879.59942 Da 844.40 s",14.07,878.59214,"PC 40:6","C48H84NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5367020.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "748.57300 Da 844.57 s",14.08,747.56572,"(2-{[2-hexadecanamido-3-hydroxyoctadec-4-en-1-yl phosphono]oxy}ethyl)trimethylazanium","C39H79N2O6P",2854721.25,4592108.5,3330574.5,4709842.5,3721519.75,4550311.0,5308162.0,5253880.0,4061542.0,3893846.5,4799320.0,4645427.5,4551588.0,5417867.5,4564413.5,4955281.0,3912151.25,4579798.5,6421881.5,5893731.5,5715517.5,3729947.5,3741179.25,4934611.0,3724311.0,4390044.0,5474144.0,4917471.0,5061385.0,4106331.5,3989668.75,4010602.5,5077540.5,4959535.5,3825717.75,4382993.5 "821.55772 Da 842.65 s",14.04,820.55044,"Glycyrrhizate","C42H62O16",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3610122.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "821.55728 Da 843.33 s",14.06,820.55001,"PC 40:5","C48H86NO8P",0.0,0.0,668779.1875,604499.125,1895282.125,2384784.75,3080024.5,2078408.25,2166576.0,2585893.75,3556622.75,4531602.0,3745317.75,0.0,0.0,1618206.625,1712652.375,0.0,2083257.0,3147177.0,1878423.625,1849085.25,2338125.75,2311519.75,3549321.25,1595163.0,0.0,0.0,0.0,1393731.0,1471828.25,2225833.0,1141978.5,1251103.125,3212859.0,1547120.0 "835.57271 Da 845.27 s",14.09,834.56543,"PC O-38:7","C46H80NO7P",1668434.5,3558676.0,1871491.875,1164956.875,3419757.5,3729160.25,3009568.75,3700668.5,3310677.5,4013410.5,4403901.0,3241388.25,2689659.5,3431373.0,3104799.25,5074343.5,3514466.25,3134999.75,2552415.75,3925523.0,3287373.25,2771170.0,3761066.25,2903975.0,2756688.5,2868482.75,1382513.625,1747640.875,4580772.5,2978421.25,3015128.75,2576895.5,2173248.25,5356676.5,1860334.75,1837873.25 "796.54551 Da 843.34 s",14.06,795.53823,"PG 38:5","C44H77O10P",0.0,0.0,0.0,0.0,2637068.5,3406203.0,3144515.75,2821178.5,3321786.0,2424904.75,4325776.0,4713419.5,0.0,0.0,0.0,3122505.75,2884975.5,0.0,2841370.5,3364554.5,1154661.0,1775090.25,3703471.0,2567040.75,3301749.5,0.0,0.0,0.0,0.0,1795928.875,1502122.375,2774940.5,0.0,2406049.0,0.0,1144793.375 "282.25570 Da 842.83 s",14.05,281.24843,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,1266802.875,0.0,0.0,0.0,0.0,0.0,0.0,2125330.25,0.0,0.0,3027195.5,0.0,3002194.5,0.0,2820932.5,0.0,1619633.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2167477.5,0.0,0.0,2065227.5 "913.57589 Da 844.06 s",14.07,912.56861,"PC 42:10","C50H80NO8P",1806029.625,2517404.25,3045917.0,931564.1875,3878914.75,1611967.375,5233427.0,3185256.25,3870644.25,3647429.75,3813350.25,2087726.625,0.0,4315250.0,3212306.25,3778491.75,2537322.5,2150357.75,4351405.5,2220254.0,3692576.75,3680033.75,1625839.875,4060205.75,4011643.0,2963329.5,0.0,3057390.0,0.0,2649890.0,1816395.125,1179534.875,2850880.25,2691472.5,2454298.75,5070258.0 "822.56085 Da 844.17 s",14.07,821.55358,"Glycyrrhizate","C42H62O16",0.0,0.0,0.0,0.0,3099757.75,3077715.5,2992469.75,3777892.5,1680852.875,3404213.0,4723138.0,5008507.0,2330620.25,0.0,0.0,3160087.0,3446147.0,0.0,1289497.375,3276463.25,2068209.625,2460721.75,4094511.75,2691290.5,5043835.0,3245693.25,0.0,0.0,0.0,2268994.0,1769813.5,1129240.0,1495144.75,1935637.75,1070546.5,2319066.0 "846.54328 Da 845.20 s",14.09,845.53600,"PG 42:8","C48H79O10P",1382121.5,3833026.25,3723659.75,2880341.25,3402045.75,1846064.0,4980900.5,3735434.75,4779479.0,2048389.875,3095354.0,3701691.25,1858608.0,4058831.0,1568793.125,3872757.5,4179493.75,3843135.75,1897061.875,4083551.75,3527513.5,1529249.625,3906135.5,1529991.25,3383625.25,4117782.25,1636440.125,1616364.5,2036196.25,4054431.25,4168361.25,4032855.0,2061818.625,5286087.5,3221338.0,3839267.25 "889.56717 Da 846.70 s",14.11,888.55989,"PI(18:0e/18-HETE)","C47H85O13P",1596989.25,3976068.5,3198409.75,0.0,3672146.75,3808340.0,4075868.0,3874329.0,3284085.75,2769466.5,4228072.0,2650111.0,0.0,3661233.5,1496803.5,2214561.25,2204506.75,3732016.0,4269177.5,2510140.5,2836601.25,3235587.0,1280777.875,1732400.5,3398915.0,0.0,0.0,2135502.25,0.0,2632702.5,1090903.375,0.0,0.0,2159758.75,1811311.0,2781745.5 "836.54094 Da 845.43 s",14.09,835.53367,"[2-(hexadecanoyloxy)-3-[octadec-11-enoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C43H81O13P",4012939.75,3821365.0,6353746.0,1522599.25,3002238.5,2953140.5,4864008.5,2267900.0,3740193.75,3298459.5,3425991.5,6741694.0,5702280.5,6089240.0,3762110.25,4055132.0,2755065.25,9503224.0,5857616.5,4836167.0,4173030.75,3342852.5,3715463.5,3106062.75,4905668.5,5152987.0,3691834.25,8324865.5,4644769.5,3672453.0,4134862.5,4360627.0,4135852.5,4917785.5,4959475.0,9941305.0 "862.59103 Da 845.94 s",14.10,861.58375,"PC 38:1","C46H90NO8P",431900.75,1963229.625,0.0,0.0,976460.25,1682799.5,1774087.125,2806913.5,0.0,2198463.25,3095140.0,0.0,0.0,2788593.0,0.0,2794134.5,1268444.625,0.0,0.0,2392156.0,0.0,0.0,3183302.75,906810.1875,0.0,0.0,0.0,0.0,0.0,1304952.75,0.0,0.0,0.0,0.0,0.0,0.0 "836.57575 Da 845.98 s",14.10,835.56847,"Cedrelone","C26H30O5",1963877.5,4615267.0,2705381.5,1331925.875,5843241.5,5801622.5,6257560.5,5866090.5,5096953.5,6484394.0,6854062.0,4290909.0,0.0,5134693.0,3451015.5,6002747.5,4988387.5,5650536.5,5051873.0,5268424.5,4129119.0,3520654.25,4658095.0,4816045.5,4201079.0,2162886.75,0.0,1201900.5,0.0,3631669.5,2941077.5,3950603.75,0.0,1548329.875,1550012.75,2539964.5 "836.54158 Da 847.99 s",14.13,835.53431,"[2-(hexadecanoyloxy)-3-[octadec-11-enoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C43H81O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8011320.5 "803.56783 Da 848.11 s",14.14,802.56055,"PC 16:1_18:1","C42H80NO8P",1.6374593E7,4.415076E7,2.205537E7,1.5055162E7,4.737782E7,4.7967356E7,5.9073332E7,5.4943704E7,4.3070888E7,5.4678184E7,4.7852704E7,4.1641408E7,7.8849384E7,5.1150416E7,4.3865464E7,4.8682616E7,4.6934788E7,4.5340636E7,4.8263272E7,5.3467152E7,4.2171868E7,3.7642604E7,5.0246304E7,4.3436456E7,4.0977812E7,5.5056512E7,6.3408916E7,3.8138056E7,6.6530716E7,4.5567788E7,3.9676892E7,6.9628264E7,8.2017808E7,5.7179504E7,4.3004656E7,3.3169112E7 "396.39643 Da 847.39 s",14.12,395.38915,"Hexacosanoic acid","C26H52O2",2367236.5,0.0,5345999.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2960060.0,0.0,0.0,3153616.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4060425.0,1573484.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "864.56580 Da 849.91 s",14.17,863.55853,"PI 36:1","C45H85O13P",2274011.75,3490038.0,2957427.0,993177.5625,3966306.0,1401667.875,1995439.25,1653201.0,3305732.25,2068981.75,3985722.0,2034109.875,9011735.0,2055426.125,1880523.125,3046177.0,2191239.0,3906956.75,4160720.0,5219606.5,3569877.0,2941258.0,1986965.0,3668044.0,3635987.0,6232108.5,5437007.5,6687578.0,3244827.5,5668984.0,3106887.5,2593034.0,7534771.0,5966027.0,6888549.0,6971312.0 "865.58394 Da 848.61 s",14.14,864.57666,"PC(16:0/17-HDoHE)","C46H80NO9P",617962.0,0.0,1447671.625,0.0,0.0,1385659.0,0.0,2197760.0,474488.15625,2318575.75,0.0,0.0,0.0,3179807.25,1996162.625,2269285.0,1351349.5,2851170.75,886146.9375,751909.0,0.0,0.0,0.0,0.0,1714832.875,0.0,0.0,1949981.25,0.0,1706444.625,1036652.9375,0.0,0.0,0.0,0.0,0.0 "368.36553 Da 849.54 s",14.16,367.35826,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3721258.25,2054107.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2513962.75,0.0,0.0,0.0,1360221.625,0.0,0.0,0.0,0.0,0.0 "792.55095 Da 850.36 s",14.17,791.54367,"8(9)-EET-[d11]","C20H32O3",1055405.375,3361690.25,1109201.75,1219128.875,3468866.25,3586646.25,4716377.0,3585393.75,2303291.75,1564622.125,2981213.75,3655067.5,6419687.0,1808451.75,2969575.25,3546264.75,2890134.0,3723499.25,3738736.0,3780609.0,2578740.75,2525673.5,4018125.5,3331468.0,2860074.75,7485171.0,5635602.5,4140804.0,5428303.5,4656840.0,4045834.5,7520897.0,7359250.0,5744398.5,2167557.0,3094827.75 "866.58075 Da 851.39 s",14.19,865.57347,"Aleuretic Acid","C16H32O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2595009.75,1893502.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2498499.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "767.53779 Da 853.41 s",14.22,766.53051,"PE 38:4","C43H78NO8P",1252368.875,4171001.5,2029728.0,1395506.125,4821332.5,4707001.0,4210035.5,4582701.5,3838312.5,3515912.25,3924555.75,3976871.0,6653155.0,5180370.5,3864690.75,2319749.75,4523910.5,4189159.75,4659262.5,5763731.0,3986758.75,3408659.5,4465430.0,3244450.25,3082981.0,5740487.5,5086611.5,3044801.5,4093109.0,4283852.5,3373288.0,5947617.5,4619003.5,3780819.75,3737510.25,2583339.75 "829.58315 Da 851.73 s",14.20,828.57588,"PC 18:1_18:2","C44H82NO8P",7297599.5,2.884995E7,1.0366343E7,6241340.0,2.4439154E7,2.1162416E7,2.9631772E7,2.8083212E7,1.8981458E7,3.1344454E7,2.787598E7,1.760625E7,2.4811218E7,2.7648448E7,2.5907286E7,2.3574828E7,2.965286E7,2.4136788E7,2.5929842E7,2.9012094E7,2.1093134E7,1.972927E7,2.9078204E7,2.7576236E7,1.9809868E7,2.4022954E7,2.0615328E7,1.6677816E7,1.7970766E7,2.2696586E7,1.9751426E7,2.7057696E7,3.1254992E7,2.4316662E7,1.9771206E7,1.4958784E7 "791.54665 Da 852.22 s",14.20,790.53937,"PE 18:1_22:5","C45H78NO8P",955751.5,2409256.25,1416504.125,1051189.5,3427916.0,3138204.0,4085144.0,2681353.0,2742593.75,3289016.25,2644881.5,2787227.25,6048690.0,3301020.5,2540645.75,3010554.25,3204970.75,3643419.75,3097977.0,4072882.0,2388139.75,2390220.25,2549758.75,2427583.25,2256582.0,4991761.5,4862392.0,3064825.75,4282538.0,3499210.5,2599981.5,6353893.5,6034670.0,5242709.5,3771215.25,2554197.0 "739.51526 Da 852.06 s",14.20,738.50798,"PE 16:0_20:4","C41H74NO8P",2142491.25,4128261.75,3842870.25,1975809.75,5617077.5,6594743.0,6559380.5,4814735.0,4576670.0,6553072.5,4309507.5,6725435.0,7686811.5,7083728.0,4762189.0,5068381.5,4700269.5,6115139.0,6685051.0,7273094.0,5160890.5,3695387.75,5525798.5,4757898.5,4268862.0,6149641.0,5305580.5,4437811.0,6821821.0,5264120.5,4677682.0,8195249.5,6038322.0,7785434.5,4754321.0,5218244.0 "765.53077 Da 852.35 s",14.21,764.52349,"PE 18:1_20:4","C43H76NO8P",3706044.25,1.1392279E7,4762371.0,3166259.0,1.3505084E7,1.1724756E7,1.4800472E7,1.1011529E7,1.0832352E7,1.3672467E7,1.121474E7,1.1698887E7,1.7211632E7,1.3410278E7,1.1013889E7,1.2844824E7,1.0633418E7,1.3629584E7,1.1718386E7,1.3792631E7,1.1476392E7,8855736.0,1.117895E7,8702963.0,7911900.0,1.5228008E7,1.3227454E7,8532686.0,1.2991541E7,1.1074532E7,9183058.0,1.7136754E7,1.471878E7,1.151853E7,9669740.0,7977689.0 "863.60376 Da 852.89 s",14.21,862.59648,"PC O-40:7","C48H84NO7P",1844831.25,3307998.5,1258876.125,896091.0,2906812.5,2696142.5,3704342.75,3143838.75,2004038.125,3561408.75,3751581.0,2392413.5,2120856.25,2861917.0,2925395.25,3405285.25,2889519.5,3394840.5,2205218.25,3499042.0,2153371.0,3000269.25,3497546.0,2961696.5,2960262.75,1812389.25,1634720.25,909911.1875,1684977.375,3162045.25,1665215.125,1847694.875,1937527.125,1183149.625,2806311.25,2381942.75 "837.58804 Da 853.41 s",14.22,836.58077,"PC O-38:6","C46H82NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5012655.0,0.0,0.0,0.0,0.0,0.0,1.0624239E7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "833.51793 Da 853.38 s",14.22,832.51065,"PC(16:1e/8,9-EpETE)","C44H78NO8P",1015312.0,2355047.25,1526865.375,792027.1875,2244652.0,717006.4375,0.0,914090.625,658381.5625,1527513.625,2269425.5,2147119.25,1936311.5,0.0,1241456.875,1636174.375,1309957.0,1577821.0,1680476.0,2810790.75,2167654.5,2104655.25,1694366.875,1948700.125,906563.125,1553682.75,2748349.5,924640.6875,1995117.125,2033198.125,1931049.75,1825483.25,2822629.0,2638087.5,1581633.75,1180676.0 "762.52467 Da 854.03 s",14.23,761.51739,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",1028635.625,915492.5625,1492318.0,0.0,0.0,833314.9375,0.0,0.0,0.0,1346847.0,0.0,1054437.5,2017507.375,2542479.75,1696767.125,1209679.5,692292.875,2730080.0,1722847.25,1436188.875,1862267.125,0.0,1533163.125,0.0,0.0,0.0,1168482.375,3007469.5,1311638.75,0.0,1282503.0,1529594.625,1927667.625,1855134.0,1778282.875,2257268.75 "853.58348 Da 854.25 s",14.24,852.57620,"PC(16:0e/10-HDoHE)","C46H82NO8P",2053698.5,1.1381821E7,3432538.75,1831102.375,6830481.5,6166476.5,7912959.5,1.790425E7,7004954.5,5786822.0,5686439.0,5444827.5,7828512.5,4671418.0,9569418.0,7351253.5,7421341.0,5832018.0,6674676.5,6606234.0,1.1847277E7,9702924.0,1.2827632E7,4741462.0,5576179.5,3783666.0,5824397.5,3339267.25,2558130.25,9616948.0,3052266.25,9686463.0,8619450.0,9330788.0,6410178.5,3257462.5 "749.52708 Da 854.35 s",14.24,748.51980,"Elaidic acid","C18H34O2",3161185.5,1.0187883E7,5259708.0,2387535.75,8859136.0,8339103.5,9622007.0,7959833.0,7301937.0,7420818.0,8502342.0,8350819.5,5551520.0,1.0184148E7,8858478.0,8766752.0,5389490.0,9503259.0,9811217.0,1.0661209E7,8895280.0,8513147.0,7020357.5,8520013.0,6611273.0,7530793.0,4825976.0,2287207.5,4905545.0,5980742.5,5209814.5,6501715.0,4903709.5,6053574.0,4658387.0,5275682.5 "715.51524 Da 856.45 s",14.27,714.50796,"PE 16:1_18:1","C39H74NO8P",1874980.75,4501792.0,2165542.25,1406103.125,3601330.5,4382522.0,4854674.5,3353122.5,3289198.0,3736054.5,3544527.5,4106858.5,8674904.0,5391337.5,4228950.0,3952964.5,3098805.0,4295660.5,4000535.75,4921797.0,4087297.0,2959234.75,3603925.0,2987592.75,2549667.25,5790565.0,9259524.0,5194616.5,8414803.0,4916391.5,3255634.5,7819557.0,8956931.0,5798389.0,5190157.0,3737792.0 "715.51538 Da 854.64 s",14.24,714.50810,"PE 16:1_18:1","C39H74NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3661962.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "887.56075 Da 855.49 s",14.26,886.55347,"(3?,5?,9?,14?,25S)-Spirostan-3-yl 6-deoxy-?-L-mannopyranosyl-(1->4)-[?-D-glucopyranosyl-(1->2)]-?-D-glucopyranoside","C45H74O17",0.0,0.0,0.0,0.0,3257740.0,0.0,3.9903716E7,1546276.875,2978200.25,0.0,2519685.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2110620.25,0.0,0.0,1575160.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2204162.75,0.0,1.4683116E7,362202.46875,0.0,1595428.25 "854.58721 Da 854.78 s",14.25,853.57993,"Abietic acid","C20H30O2",3034128.0,5318568.5,4899222.0,2641248.0,8894391.0,1.0405619E7,1.1230333E7,8456907.0,9882359.0,9233098.0,7352327.0,7877727.5,4388584.5,7161558.5,4290230.5,1.0529685E7,8902831.0,8986981.0,1.1008596E7,8648790.0,2892837.0,4573865.5,3115751.25,6483309.0,7759800.0,5743011.0,2901378.25,4019568.0,3158775.25,5144989.5,5078169.0,5055348.0,4233724.0,5537367.0,3299611.0,3784641.25 "761.52226 Da 855.01 s",14.25,760.51498,"SM d33:1","C38H77N2O6P",2712329.5,3257358.0,3336594.75,0.0,2618767.5,2339659.75,2812373.25,0.0,2304923.0,2472695.5,2933252.5,0.0,5118106.0,5605488.0,3835124.25,1494973.125,1784206.875,5456109.5,3650877.5,4007434.5,3464976.0,1680314.25,2555377.75,2286586.5,2840529.75,1717212.125,4021866.0,4684789.0,4596376.0,2644363.75,1867999.375,2984834.25,1877718.25,3788944.75,4503477.5,5028460.0 "765.55200 Da 856.77 s",14.28,764.54473,"alpha-Solanine","C45H73NO15",597135.0,0.0,789628.875,1000104.625,2517793.75,0.0,0.0,1999561.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1977266.375,1585341.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "888.57179 Da 856.25 s",14.27,887.56452,"PI(18:0e/18-HETE)","C47H85O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1375561.75,0.0,0.0 "841.52439 Da 856.39 s",14.27,840.51712,"(2-aminoethoxy)[2-[docosa-4.7.10.13.16.19-hexaenoyloxy]-3-[octadeca-1.9-dien-1-yloxy]propoxy]phosphinic acid","C45H76NO7P",0.0,1013407.0625,0.0,806150.25,1954178.625,1077989.875,1226844.0,2008764.125,0.0,1878730.125,1545753.25,0.0,0.0,1272021.625,1868534.5,1388869.5,1209570.625,999792.75,1448043.375,1673880.5,1479824.375,1794115.25,920290.0625,1751022.0,0.0,491512.21875,1218369.875,0.0,767471.8125,1182024.125,1387424.75,1262097.0,1194098.0,0.0,0.0,0.0 "787.53683 Da 856.44 s",14.27,786.52955,"PS 18:1/18:1","C42H78NO10P",1689692.5,3378773.0,2446243.0,0.0,2929915.75,2417781.25,2248819.0,1648017.0,1638272.25,2433002.25,1252946.375,4069853.5,2125676.75,4517565.5,3976580.0,3166218.75,1918568.25,3839990.25,2505004.0,3201746.0,1592794.625,1791653.25,2398075.25,0.0,3101347.0,3681708.5,4452085.0,4233224.5,4803794.5,3644408.0,2192301.0,1902510.125,4009908.25,3306767.0,3965882.75,1390207.0 "774.53978 Da 856.44 s",14.27,773.53251,"Sphingomyelin d18:0-C22:0","C45H93N2O6P",1408354.875,1.4756967E7,3658407.0,3237625.75,1.1917101E7,1.0500645E7,1.2802602E7,1.1233133E7,7209214.0,9594078.0,1.2718846E7,8131879.5,6107320.0,1.0350283E7,1.2421927E7,1.1038721E7,8021887.0,8635039.0,8810209.0,1.1052164E7,1.0946978E7,8942375.0,7566593.5,1.0873255E7,6861934.0,9177881.0,4058176.0,3834964.5,4931612.0,8464809.0,6746245.0,7599760.0,6261613.5,6254286.5,5687984.5,4861865.0 "838.59144 Da 858.83 s",14.31,837.58416,"Corticosterone","C21H30O4",3504545.0,1.1118878E7,5971331.0,2555549.5,1.1870913E7,1.1308954E7,1.1590893E7,1.280021E7,7719384.5,1.096727E7,1.3883656E7,9919587.0,4091941.25,1.0360232E7,1.0122683E7,1.1228019E7,9409246.0,9898581.0,8767667.0,1.0503974E7,8620860.0,8461156.0,1.0842896E7,1.0276635E7,9663817.0,7379908.5,3093963.75,4171553.25,3196238.75,6314751.0,5706265.0,5356967.0,4235572.0,2481641.25,3598481.0,3875483.75 "410.41207 Da 858.79 s",14.31,409.40480,"Squalene","C30H50",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2823989.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "837.58838 Da 857.55 s",14.29,836.58110,"PC O-38:6","C46H82NO7P",2192339.25,8329593.5,3662591.25,2141625.25,7296345.5,7882654.5,8106915.0,7922129.0,5487418.5,7689783.5,7382538.5,6124667.5,2702197.25,7091217.5,6001692.5,8172525.0,6294308.0,6554662.5,5967863.0,6839715.5,5640911.5,6231319.0,6293956.0,6121165.5,6263938.0,5487503.0,2733881.25,3172156.75,2407942.5,4168370.5,4371255.0,4010625.25,2659178.0,3242910.0,2592640.0,2650498.75 "410.41223 Da 856.45 s",14.27,409.40495,"Squalene","C30H50",4756383.0,3053465.0,5895222.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4927615.0,4398136.5,0.0,0.0,5502992.0,0.0,0.0,0.0,0.0,1323151.125,0.0,0.0,0.0,2825932.5,6642850.5,4884665.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "773.53595 Da 856.92 s",14.28,772.52867,"Docosahexanoic acid","C22H32O2",2481515.5,1.1193129E7,2838730.5,2360264.25,9086364.0,7978813.0,8817203.0,9877150.0,5003520.0,7806437.0,9343882.0,6645838.5,4884509.5,9234850.0,9471182.0,9109989.0,6169111.5,7136362.0,7217388.5,8988247.0,8568908.0,8063928.0,6217412.5,8402060.0,5361065.0,6857431.0,3393950.5,2942213.0,3959812.75,5706873.0,5000483.5,4885195.5,4572824.0,4832863.0,3894095.5,3726752.0 "747.52028 Da 856.78 s",14.28,746.51300,"Corticosterone","C21H30O4",8556676.0,2.8293144E7,1.1994356E7,6589260.0,2.437947E7,2.2239888E7,2.5572622E7,2.4138552E7,1.9533122E7,2.1580224E7,2.462851E7,2.2171706E7,1.5724143E7,2.7750048E7,2.6277546E7,2.4564152E7,1.5715305E7,2.6326404E7,2.4721156E7,2.5459552E7,2.4156206E7,2.0637614E7,1.8406382E7,2.198391E7,1.5622719E7,1.6536672E7,1.1316097E7,9752124.0,1.218002E7,1.6261683E7,1.1619738E7,1.3805377E7,1.4436762E7,1.3662767E7,1.277453E7,1.1014338E7 "815.50796 Da 857.15 s",14.29,814.50068,"Clarithromycin","C38H69NO13",1741986.5,2760124.0,2220767.5,1508539.375,2736355.5,2553355.5,2627795.75,2369262.0,2651355.0,2162707.25,2841866.0,1682273.5,1610909.625,2889110.25,2485440.0,2213928.0,1957770.25,2601861.25,2929242.5,2781362.5,2542024.75,2879586.75,1933050.875,2272527.0,1984552.75,3092483.75,1463927.0,1575933.5,2062396.375,1733125.875,1746003.5,1575568.125,1679466.5,1284744.875,1424168.5,1394602.25 "298.25058 Da 856.77 s",14.28,297.24330,"Ricinoleic acid","C18H34O3",499261.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "816.51064 Da 856.82 s",14.28,815.50336,"PI O-34:4","C43H77O12P",1748479.25,3335627.75,1260113.125,1136618.125,3501476.0,2717574.5,2947949.0,2805277.0,2561973.25,2507118.75,2652051.75,2649811.5,1808106.625,2996049.5,2367222.75,3028648.75,2423421.25,3132300.0,3370722.25,2371123.75,3227225.25,2770632.5,2623085.75,2743491.25,2621160.0,2025891.875,2044701.875,1472593.25,1595429.0,1996889.125,1620742.25,1702902.5,1915124.5,1967385.875,1763739.875,2156773.75 "906.58117 Da 857.73 s",14.30,905.57389,"PC 42:7","C50H86NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,1304760.625,0.0,754316.25,822049.0,0.0,0.0,0.0,1071311.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1227374.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "905.57651 Da 858.40 s",14.31,904.56923,"PC 42:7","C50H86NO8P",720364.0625,1414667.75,1210821.25,1023880.0625,1828936.375,1640167.0,1549422.875,1840854.75,1404357.5,1493646.0,1188193.625,1383499.875,0.0,1224431.25,1561089.125,1823242.75,1028434.375,1462844.75,0.0,1694441.125,1305388.875,1741765.0,1452387.5,1825473.625,1307395.625,939636.9375,0.0,0.0,574530.125,0.0,1300325.875,0.0,0.0,0.0,0.0,0.0 "775.54232 Da 858.04 s",14.30,774.53505,"8(9)-EET-[d11]","C20H32O3",829874.4375,4179836.75,1165454.0,749161.6875,4266340.5,3066002.75,4785395.5,3273535.0,2702736.5,3224148.5,4302453.0,2932497.25,2445803.5,3121643.5,3395700.75,1216294.625,1490670.5,3643114.5,3401371.75,4096282.5,3453416.0,2689574.5,2918329.25,3307852.75,2370259.25,2910832.0,1745373.125,1571304.625,1787812.75,944691.75,2153549.25,2445980.0,2014565.75,1972091.875,1921100.375,1756198.875 "837.54974 Da 859.04 s",14.32,836.54246,"Azythromycin","C38H72N2O12",887491.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3895501.75,0.0,0.0,0.0,1459568.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.54177 Da 857.59 s",14.29,641.53449,"Stearic acid","C18H36O2",0.0,0.0,0.0,210861.828125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1253985.875,892165.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,584243.875,838981.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "834.52158 Da 858.04 s",14.30,833.51430,"Ginsenoside Rg6","C42H70O12",0.0,437611.59375,0.0,759154.3125,0.0,1020005.625,0.0,0.0,0.0,578513.625,0.0,0.0,1587653.875,533984.875,301273.71875,0.0,891952.0,0.0,0.0,579099.375,0.0,0.0,0.0,0.0,0.0,1053861.5,1506736.5,1177375.875,527751.625,1544846.125,912520.75,1370273.625,1494857.125,599097.75,1016971.5,0.0 "811.57276 Da 859.92 s",14.33,810.56548,"PC O-36:5","C44H80NO7P",1778187.5,4691617.0,3809688.0,1984173.125,8386193.0,9724771.0,6214913.5,6295161.5,6941481.5,5837411.5,6905241.5,7988300.0,2905455.25,3624842.25,3772703.75,9604529.0,6715100.5,6487771.5,6714524.0,5976582.5,6761639.5,4574456.0,5146127.0,4945370.5,6767046.0,4175323.5,1616599.0,2155829.5,1597675.375,4740124.0,4530648.5,3378316.0,2605631.75,2892322.5,2229023.0,2456993.25 "855.59875 Da 858.84 s",14.31,854.59147,"PC 18:1_20:3","C46H84NO8P",0.0,8728653.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "716.51904 Da 858.44 s",14.31,715.51176,"Linoleic acid","C18H32O2",1606848.875,4752760.5,1969580.0,1165625.0,3962784.0,3106981.75,4432143.0,3482297.0,3097737.0,4013109.0,3475721.5,3346245.0,9464061.0,2200649.0,1997533.5,3618037.0,2548083.5,2395231.0,4145008.75,2696451.25,3506758.75,3376417.5,3554327.0,3653809.5,2505802.75,6838428.0,1.0073921E7,5685675.5,9177516.0,5264132.0,3513931.0,7598555.5,9294663.0,6056190.0,6349459.0,3629316.0 "741.53069 Da 861.63 s",14.36,740.52341,"PE 18:1_18:2","C41H76NO8P",1318776.75,3908354.5,1713143.75,949061.5625,3056853.25,3295232.0,3248492.25,2583494.5,2632007.5,3056426.0,3044728.25,2941630.5,7340680.0,4127230.5,3273842.75,3249436.25,2209238.75,3422001.5,3444039.5,3531879.0,3668274.25,2654660.75,3179365.25,3110366.75,2663173.0,5611609.5,5184206.0,4355726.0,6228848.5,4752777.5,2993126.5,5798565.5,6613232.5,5005234.5,4573165.5,3876726.25 "741.52925 Da 859.81 s",14.33,740.52197,"PE 18:1_18:2","C41H76NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3493577.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "888.57272 Da 861.84 s",14.36,887.56545,"PI(18:0e/18-HETE)","C47H85O13P",2596582.0,3606360.25,4572645.0,1171318.625,3419167.75,1971842.0,3114839.5,2239930.25,3978906.25,2059501.0,2887286.5,4780688.0,2109784.5,3915672.25,4136787.5,3152077.0,1440795.375,4297681.0,4147981.75,3136074.5,4141086.25,2690296.25,3480665.25,3017821.25,2813266.25,2729915.25,1374781.625,4784936.5,1705100.875,3223833.0,2473380.25,1743392.875,2242372.0,3823373.5,2466445.5,6113724.5 "923.58650 Da 860.66 s",14.34,922.57922,"SM d42:3","C47H91N2O6P",0.0,1045467.6875,650951.8125,613717.5625,1336330.75,1260766.25,1593783.25,1368622.75,2406250.25,1283010.125,1447353.375,815257.125,1557111.25,1257129.625,815951.1875,1000424.3125,1109715.25,1599134.5,2209994.0,1206117.875,1078624.375,930853.0,1170026.625,1206395.875,2177456.5,1023915.125,1118639.625,942783.0,1132911.625,1627206.0,2170436.75,1703329.625,1624340.625,1383388.875,1435293.0,2275581.0 "867.59864 Da 861.11 s",14.35,866.59136,"PC(18:2e/12-HETE)","C46H82NO8P",980233.0625,1361471.125,1054114.375,486701.9375,2214877.0,1788771.75,1566180.75,1683145.875,1210091.375,1310385.875,1384477.375,1260419.875,1181330.625,1397953.0,1340975.625,1608832.75,1156316.25,1524855.625,1623940.5,1000454.125,1489459.25,1314882.0,979618.5,1201182.25,1065212.125,1380019.5,1726292.75,1182292.5,908268.375,1207145.375,994682.4375,1287123.0,2159851.0,1301813.0,919598.625,825182.8125 "715.51593 Da 859.82 s",14.33,714.50865,"PE 16:0_18:2","C39H74NO8P",0.0,0.0,0.0,0.0,0.0,2928139.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "855.59859 Da 860.59 s",14.34,854.59131,"PC 18:1_20:3","C46H84NO8P",3292891.5,9713952.0,3848362.25,2858314.75,9822081.0,9837123.0,1.4072707E7,1.1928806E7,9595487.0,1.1888025E7,1.0471632E7,8325070.0,1.3937565E7,1.186211E7,8552322.0,1.0857498E7,1.1655306E7,1.0753815E7,1.0725693E7,1.3461349E7,8968782.0,7810159.5,1.0323811E7,8961644.0,8740116.0,1.3859476E7,8545225.0,8300527.5,9348214.0,1.1667749E7,9400672.0,1.3510804E7,1.3225045E7,1.3563687E7,9491084.0,7987685.5 "735.51853 Da 860.74 s",14.35,734.51125,"2-Methoxyestradiol","C19H26O3",0.0,774581.125,0.0,0.0,0.0,1529589.875,1233726.75,0.0,1192201.375,1231590.625,0.0,1520150.375,0.0,1136880.5,663870.4375,1686179.625,996825.125,1407067.375,1883851.75,1086952.5,0.0,0.0,808312.0625,0.0,0.0,580411.5,0.0,0.0,0.0,0.0,780146.875,770866.9375,0.0,0.0,0.0,0.0 "811.53582 Da 859.99 s",14.33,810.52854,"2-amino-3-({hydroxy[2-[icosa-5.8.11.14-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid","C44H78NO10P",357969.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1028830.1875,959987.75,1224344.5,1410259.875,0.0,0.0,820282.5625,439868.21875,0.0,0.0,757037.6875,0.0,0.0,865634.75,0.0,0.0,942313.5625,0.0,444655.6875,1040714.25,631172.75,603132.4375,0.0,1361210.5,1048995.875,348020.53125,1065485.625 "879.56152 Da 860.21 s",14.34,878.55424,"PC(18:1e/20-HDoHE)","C48H84NO8P",0.0,0.0,0.0,663018.125,0.0,0.0,0.0,0.0,0.0,1552221.125,0.0,0.0,0.0,0.0,1056591.625,0.0,0.0,0.0,0.0,1208917.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "956.56050 Da 860.66 s",14.34,955.55322,"PI(18:0e/18-HETE)","C47H85O13P",437993.0,862972.375,1057929.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,873736.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,832671.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1475975.5 "791.56779 Da 864.56 s",14.41,790.56051,"PC 33:1","C41H80NO8P",7732650.0,1.5980367E7,9711636.0,5003280.5,1.811848E7,1.8380534E7,2.2955742E7,1.8779774E7,1.7556504E7,1.9150524E7,1.6060284E7,1.6875614E7,2.1101478E7,1.9627406E7,1.5191119E7,1.9296566E7,1.5357814E7,1.96872E7,2.1806182E7,2.2507454E7,1.6670811E7,1.2924131E7,1.7250988E7,1.6534774E7,1.5171849E7,2.061073E7,1.2492256E7,1.433296E7,1.5748588E7,1.5411026E7,1.4243013E7,1.930251E7,1.7924358E7,1.9119756E7,1.2674435E7,1.3377664E7 "761.55707 Da 864.92 s",14.42,760.54979,"Palmitoleic acid","C16H30O2",1023539.0,2429345.25,1921875.125,1216520.75,3656092.75,3742093.0,3825360.75,2588772.75,2370430.5,3075666.5,2937500.25,3108493.0,4763981.5,3093827.25,2399743.0,3783853.75,3013543.75,3045192.75,2803239.0,2921492.5,3069239.5,2398255.25,2948280.25,2336271.25,2870281.5,4046677.5,2370378.75,2652064.75,2899727.25,3462313.25,3153140.5,3592758.5,3324657.5,3386697.25,2530253.0,2821525.5 "860.55853 Da 864.96 s",14.42,859.55125,"5-amino-2-(3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl)-5-oxopentanoic acid","C28H38N2O7",1385694.5,1731183.625,1643569.75,1126745.25,1987909.125,2389237.25,2561353.0,1970573.5,2469922.0,2170924.0,950164.9375,2110824.75,2317004.0,2036193.5,1983366.0,2230016.75,1013599.25,2413137.25,2726575.75,1480413.375,2214052.0,1902900.875,2197513.75,2061827.375,1895977.0,2377822.25,1814123.25,1717606.875,2151990.75,1939435.625,2129058.75,961857.0625,2508908.75,2260858.0,1791531.125,2267280.5 "766.53460 Da 863.64 s",14.39,765.52732,"Abietic acid","C20H30O2",2947649.5,5529195.5,3596502.0,2185178.5,5711463.0,6610592.0,1.0389742E7,6570987.5,7634171.5,7167873.5,5449675.5,7397502.0,6869258.0,9294875.0,4925553.0,6625393.5,4884234.0,7914019.0,1.0491102E7,1.0599032E7,5496867.0,2298884.75,6206317.0,2724227.5,4904177.5,6673608.0,4395048.5,4553608.0,4469483.0,5024880.5,1627520.0,6102043.0,2422631.75,6968769.0,4109029.5,4864374.5 "765.55279 Da 864.59 s",14.41,764.54552,"PC 31:0","C39H78NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4285380.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "841.58336 Da 862.64 s",14.38,840.57609,"Aleuretic Acid","C16H32O5",833116.625,1260397.125,1000754.9375,435180.3125,1719399.375,1631260.0,1801953.0,1413744.5,1744844.875,1531669.25,1451021.0,1649572.125,0.0,0.0,1252858.0,1789188.0,2628148.0,0.0,2058161.75,1622355.875,0.0,2404882.0,2188787.25,0.0,1697085.5,2502693.5,1074705.875,1148204.875,960843.5625,0.0,1054732.75,672918.8125,2394949.25,1317109.375,1960493.625,816147.875 "765.53055 Da 863.54 s",14.39,764.52327,"PE 18:0_20:5","C43H76NO8P",2301764.75,5024374.5,3019522.25,2056136.125,3854277.25,4414416.5,8236603.0,4894452.0,6881941.0,5433331.0,1.0078685E7,4669743.0,5438539.0,6507325.0,4005149.75,4864621.5,3461737.75,5540917.5,7288539.5,8725130.0,3709911.25,3340023.75,4756871.0,1.0393847E7,3128968.25,4642825.0,2869153.5,3215040.25,3760757.0,3717143.25,8707635.0,4648073.5,1.0873845E7,4815731.0,3361255.5,3582739.75 "881.61169 Da 863.89 s",14.40,880.60442,"PC(18:0e/20-HDoHE)","C48H86NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,1670343.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "876.57106 Da 864.36 s",14.41,875.56379,"3-hydroxy-6-[(9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl)oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid","C47H74O16",853986.1875,0.0,718431.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1047446.0625,648041.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1073029.75,1535635.75,612110.9375,0.0,0.0,1054579.75,889018.8125,693396.0,1208055.625,1048842.125 "765.55212 Da 863.25 s",14.39,764.54484,"PC 31:0","C39H78NO8P",910170.125,1436700.5,929288.25,1564317.75,2211155.25,1925934.625,2992455.25,2482805.0,2511089.0,2499244.25,2095408.0,1979330.125,2481755.5,2847546.75,1886662.5,2281138.5,1329425.125,2058279.875,3037280.25,3511703.25,2280959.0,1146922.75,1800983.875,2496921.0,1562551.875,3250658.5,1294441.125,1335351.5,1683495.25,1742914.0,1305813.375,1757602.875,1795080.375,1909231.625,1835084.125,1560194.5 "865.58301 Da 863.37 s",14.39,864.57573,"[3-[hydroxy-[2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate","C45H87O13P",0.0,0.0,0.0,0.0,713481.375,1692199.75,763634.9375,765345.0,2270149.5,938314.125,781424.0,2494282.5,595556.9375,0.0,0.0,1207894.875,577822.0,0.0,1961642.25,933856.6875,1524390.25,914405.25,763051.6875,1852239.625,1377718.375,627778.9375,0.0,0.0,0.0,1497325.125,608825.4375,943424.375,1417323.625,1528216.5,1084356.125,1633515.375 "866.58962 Da 863.37 s",14.39,865.58234,"[3-[hydroxy-[2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate","C45H87O13P",0.0,0.0,0.0,0.0,0.0,0.0,1482759.125,0.0,1317195.125,1658167.25,663566.0625,1310172.625,462572.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,819572.375,994428.8125,0.0,831274.125,1258268.375,0.0,0.0,0.0,0.0,0.0,1317788.625,0.0,0.0,0.0,962250.6875 "833.51857 Da 863.50 s",14.39,832.51129,"PS 40:7","C46H76NO10P",877362.625,0.0,443033.6875,746776.375,0.0,0.0,1494546.875,0.0,0.0,0.0,0.0,1281218.125,0.0,1106657.125,0.0,0.0,0.0,0.0,0.0,1656201.25,0.0,1179201.25,0.0,1390383.75,0.0,0.0,816971.625,527996.9375,0.0,0.0,886714.6875,0.0,832992.375,1337046.375,0.0,1021594.9375 "396.39534 Da 864.89 s",14.41,395.38806,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1178455.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,904942.4375,0.0,1659378.75,1129708.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "850.55737 Da 865.27 s",14.42,849.55009,"PI(16:0/9-HODE)","C43H79O14P",732571.4375,0.0,1457682.25,0.0,0.0,0.0,0.0,0.0,1067026.75,0.0,0.0,1167024.25,1144590.5,1023754.5,804036.8125,0.0,0.0,1157218.875,1255568.5,0.0,842143.375,0.0,0.0,0.0,0.0,563508.9375,736838.4375,1012356.9375,485307.78125,0.0,0.0,0.0,0.0,1154483.125,1048069.0625,1822627.625 "885.57117 Da 867.55 s",14.46,884.56390,"alpha-Hederin","C41H66O12",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1522732.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "813.58782 Da 867.46 s",14.46,812.58054,"PC O-36:4","C44H82NO7P",2818873.0,9328174.0,6100530.5,2304758.25,1.0138661E7,1.1910874E7,1.0206449E7,1.0629357E7,7892948.5,9278560.0,1.1631291E7,1.0651009E7,3210226.5,8966372.0,1.0422748E7,1.2459374E7,7714799.0,1.2672914E7,9516899.0,9348972.0,8710209.0,8841216.0,7869306.0,9382240.0,9912788.0,6254763.0,2666130.5,2739942.0,2761673.5,5585522.0,5193141.5,4904528.5,3250734.5,3270509.5,3223197.5,3838919.5 "839.60353 Da 866.41 s",14.44,838.59626,"PC O-38:5","C46H84NO7P",2666292.25,1.3197529E7,4335606.5,2416931.25,1.1479568E7,1.1040638E7,1.1193827E7,1.4468922E7,6507969.5,1.0204726E7,1.353039E7,8792756.0,3453187.25,9984754.0,1.2832548E7,1.1359887E7,8814426.0,1.0811615E7,7194969.5,9047091.0,9066276.0,1.0131744E7,9364245.0,1.1195362E7,8652302.0,6203518.0,2365569.25,2540085.25,2632872.5,5916743.5,5667504.0,4839918.0,3471948.25,3490985.0,3511519.0,3424778.25 "815.56718 Da 866.65 s",14.44,814.55991,"Vaccenic acid","C18H34O2",543909.0625,593924.25,783945.3125,1088693.625,2977152.0,3545959.0,3228473.25,2619861.75,2744914.25,3389450.75,4503303.5,4069432.25,3917519.75,634696.5625,1259395.375,3633677.5,2641189.25,1321559.5,2246200.5,2802725.5,2971817.75,2442985.0,3259447.25,2703211.75,3473595.75,4044746.5,444005.21875,669425.3125,418325.8125,3423549.0,2562283.5,3861964.0,3425120.0,2587053.25,2216609.5,2843283.25 "789.55115 Da 866.23 s",14.44,788.54387,"2-amino-3-[hydroxy-[3-octadecanoyloxy-2-[octadec-11-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid","C42H80NO10P",519095.4375,849905.0,1058089.875,709703.5625,1806792.875,1761380.75,3008859.0,1964905.375,1981670.875,2516939.5,2101085.0,3489911.75,2073005.0,0.0,889746.75,1573648.625,1714565.125,1203958.625,1628474.125,2484322.25,1641439.875,1618273.125,2456239.75,2028369.625,2677945.75,2503745.75,987499.1875,984763.1875,0.0,1712188.125,1178911.75,2103076.5,1883408.375,1487976.5,1691664.75,2038109.375 "905.61467 Da 866.69 s",14.44,904.60739,"PC 20:1_22:6","C50H86NO8P",728179.625,1101601.375,743031.1875,744235.5,887933.875,1008734.0625,1102894.875,1029787.375,1264785.5,1081736.875,1029555.3125,1666980.75,1390850.75,1028517.1875,1009861.625,1712070.75,864120.125,1135619.75,884960.5625,2373622.5,1473431.75,930959.5,988178.6875,858739.5625,1550519.625,771573.3125,805863.125,625634.0,611335.3125,1083613.625,1617022.125,1029024.75,1704426.125,595951.5,472556.65625,1261036.25 "424.42743 Da 866.95 s",14.45,423.42015,"(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0?,??.0?,?.0??,??]icosane-5,15-dicarboxylic acid","C30H46O5",0.0,0.0,1614004.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "880.60279 Da 867.17 s",14.45,879.59551,"PC 40:6","C48H84NO8P",1.4239365E7,5643522.5,1.1352658E7,3209868.0,1.4342709E7,1.237932E7,1.7499982E7,1.5045373E7,1.3053971E7,1.4533872E7,1.4232822E7,1.4620687E7,1.0349412E7,1.5433067E7,1.1879009E7,1.3558241E7,1.2007376E7,1.32231E7,1.5707185E7,1.5657407E7,5349983.0,1.1900057E7,1.3258931E7,1.2539174E7,1.1386018E7,1.1981617E7,1.1328054E7,1.5914502E7,1.147833E7,1.2874422E7,1.0660626E7,1.1313787E7,1.2078429E7,1.1106271E7,8599770.0,9501276.0 "614.51172 Da 867.17 s",14.45,613.50445,"Vaccenic acid","C18H34O2",2013535.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1175413.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1005076.9375,890025.125,0.0,179949.296875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "881.57732 Da 867.27 s",14.45,880.57004,"PC(18:0e/20-HDoHE)","C48H86NO8P",0.0,1102599.5,731332.0625,551189.0,0.0,935775.0625,0.0,1180120.25,970921.6875,0.0,0.0,1805107.625,0.0,1358626.25,958369.5,1174439.375,876442.75,1340235.75,1111613.125,0.0,1525248.875,1053822.625,2104148.25,921790.8125,1187617.375,0.0,0.0,0.0,0.0,0.0,714809.25,0.0,0.0,0.0,514400.84375,0.0 "814.55729 Da 867.67 s",14.46,813.55001,"(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9-dimethyl-14-{[(3-methylbutanoyl)oxy]methyl}tetracyclo[11.2.1.0?,??.0?,?]hexadecane-5-carboxylic acid","C25H40O5",0.0,0.0,741167.25,0.0,0.0,0.0,705669.375,0.0,0.0,0.0,0.0,748619.875,850797.3125,0.0,0.0,0.0,0.0,681738.375,1005101.375,0.0,769440.4375,0.0,0.0,0.0,0.0,823246.75,647589.0,855543.25,841337.8125,0.0,425478.46875,403113.1875,807739.125,882852.75,971063.5,674963.875 "777.55737 Da 867.73 s",14.46,776.55010,"Palmitoleic acid","C16H30O2",545894.4375,2293911.5,830442.5,583543.5,0.0,1987542.0,2036892.625,3938862.0,1314376.375,1765949.375,2179307.25,1847848.125,0.0,1870510.625,2508260.75,2551273.75,895854.0,0.0,1841914.625,0.0,1171224.75,0.0,1557492.375,0.0,1354156.125,1013913.9375,1140852.125,919555.3125,961642.3125,2155421.25,1441876.75,1521478.5,1434265.125,0.0,0.0,1180312.0 "847.57250 Da 867.92 s",14.47,846.56523,"PS O-42:7","C48H82NO9P",0.0,0.0,956583.75,995648.3125,1688701.375,1203062.625,1945965.625,1637153.75,2450048.0,1785353.125,2534310.25,2005845.875,631495.25,0.0,0.0,1171183.0,1176777.0,0.0,1701812.75,1936151.75,1164005.625,1519642.125,1812435.125,1470347.125,2118117.5,711685.8125,0.0,0.0,0.0,744360.9375,1403692.25,1034616.375,815628.0625,774199.375,529599.0,973842.5 "815.56640 Da 869.51 s",14.49,814.55912,"Aleuretic Acid","C16H32O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1733694.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "879.59927 Da 868.82 s",14.48,878.59199,"PC 18:0_22:6","C48H84NO8P",9736113.0,9796077.0,7281049.5,2140268.75,9423775.0,8678894.0,1.0496805E7,1.0016165E7,8274751.0,8949025.0,9779574.0,8897313.0,6851934.5,1.0797691E7,8495682.0,9597463.0,7630052.0,9966770.0,9376393.0,1.1262647E7,9089930.0,7295488.5,8578580.0,8407743.0,7789296.5,8886949.0,7286573.5,9811106.0,6801664.0,7996169.5,7114300.5,7377295.5,8024221.0,8275269.0,6438186.0,6476145.5 "822.56121 Da 868.14 s",14.47,821.55394,"PI O-34:1","C43H83O12P",684182.6875,0.0,961841.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,795968.125,683493.25,1095551.125,0.0,0.0,0.0,0.0,0.0,677943.625,896459.125 "883.55624 Da 868.35 s",14.47,882.54896,"Glycyrrhizate","C42H62O16",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,831975.3125,888801.125,369048.4375,637212.0625,0.0,0.0,0.0,476052.25,0.0,0.0,0.0,0.0,0.0,917430.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,831352.375,392141.4375,436876.84375,816244.1875,831852.125 "787.53722 Da 869.06 s",14.48,786.52994,"PS 18:1/18:1","C42H78NO10P",0.0,0.0,0.0,0.0,1593146.75,0.0,0.0,947770.5,0.0,0.0,1533586.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1077064.0,0.0,0.0,0.0,0.0,2467046.75,0.0,0.0,2178356.75,0.0,0.0,0.0,0.0 "424.42772 Da 869.62 s",14.49,423.42045,"(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0?,??.0?,?.0??,??]icosane-5,15-dicarboxylic acid","C30H46O5",1236657.625,1681214.125,1957902.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1299152.625,1230670.25,0.0,0.0,1406886.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1565367.625,1897694.875,1389721.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "838.59091 Da 869.91 s",14.50,837.58363,"Hederacoside C","C59H96O26",0.0,1186180.875,716696.5,0.0,1399811.125,1806231.375,2238706.75,1516450.875,1383581.125,1809265.0,1430803.375,1538716.125,0.0,1512914.375,0.0,2039341.875,1334737.875,1554141.25,1037609.25,2117415.25,1177636.25,1133759.5,1534086.625,1199133.875,1378889.125,1179497.0,0.0,0.0,0.0,765030.0,907098.125,731819.5625,0.0,908870.375,0.0,656861.75 "882.61556 Da 870.14 s",14.50,881.60829,"PC(18:0e/20-HDoHE)","C48H86NO8P",915699.0,2961072.0,1898872.75,839475.0,3774954.0,3115457.5,4515549.5,4578195.5,1250488.0,3993706.25,4288768.5,3221918.25,3789348.0,1631403.375,3510889.75,3040954.75,3692033.5,3298627.25,1550514.25,1785937.75,1776445.0,0.0,3892437.5,1724137.0,1284339.125,4158876.0,1233894.875,0.0,2775248.0,3831549.25,2837461.75,1977876.0,4307995.5,0.0,3132215.25,1149811.625 "767.54552 Da 870.34 s",14.51,748.52863,"Tetrahydrocortisone","C21H32O5",6682519.5,2.3146E7,1.2454106E7,6580491.0,2.4845922E7,2.5868082E7,2.4594652E7,1.8947386E7,1.8143046E7,1.893407E7,1.9829816E7,2.50968E7,2.0184482E7,2.2690256E7,2.2443034E7,2.6884122E7,1.4516958E7,2.7149514E7,2.7868484E7,2.4607328E7,2.5325826E7,1.7948698E7,1.5425886E7,1.9226914E7,1.5686786E7,2.3265662E7,1.7404678E7,1.3169244E7,1.6053138E7,2.0728804E7,1.6030068E7,1.9057516E7,2.0195938E7,1.8373214E7,1.7224846E7,1.5581591E7 "789.58682 Da 870.59 s",14.51,788.57954,"PC 33:1","C41H80NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2371902.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "763.57245 Da 871.82 s",14.53,762.56518,"PC O-32:1","C40H80NO7P",5250278.5,1.2796434E7,8061279.0,3157361.5,1.2329398E7,1.2065781E7,1.07042E7,1.066342E7,7182802.0,1.0507134E7,1.1521997E7,1.0766024E7,9586362.0,1.4259097E7,1.2269056E7,1.3963653E7,9109496.0,1.3555445E7,9142680.0,1.0674749E7,1.1766628E7,8212568.0,9054381.0,8827025.0,9070868.0,1.249409E7,9477720.0,8201935.0,9853618.0,9951542.0,9306154.0,1.1023945E7,8577584.0,7536707.5,7359822.0,7670024.5 "775.55085 Da 870.26 s",14.50,774.54358,"PE O-40:7","C45H78NO7P",1560184.5,6322801.5,1847175.5,1399995.5,6817978.0,4655890.0,5959432.0,6061765.0,3780097.25,4798264.0,5876642.5,4746757.0,3643884.75,4579779.5,5626616.0,5811164.5,3634539.0,4719350.0,4551758.5,5429903.5,5772269.5,4934080.0,3610756.0,5003050.0,3028754.5,5351635.5,2805281.75,2071627.0,2690248.75,4839069.5,3520912.0,3907556.0,3562369.25,3309116.0,3269797.75,2923434.5 "776.55528 Da 872.18 s",14.54,775.54800,"[2.3-dihydroxypropoxy][3-[octadec-9-enoyloxy]-2-(octadecanoyloxy)propoxy]phosphinic acid","C42H81O10P",1544132.75,8825589.0,2500310.75,2032021.5,8519497.0,6595264.5,6773495.5,6785448.0,1944924.0,6787146.5,7514291.5,6294802.0,5230944.0,6534498.5,7800763.5,7118739.0,5588916.5,5673100.0,6118211.0,7031516.5,8617070.0,6968855.5,4503349.5,6551661.0,4146760.5,7102703.5,4004440.0,2606437.25,3871809.5,6772678.0,5227016.5,4794578.0,4651324.0,4141515.0,4299553.5,3863413.0 "723.52034 Da 871.08 s",14.52,722.51306,"PE O-36:5","C41H74NO7P",5758178.0,1.600366E7,1.2561564E7,5400514.5,1.8157816E7,2.0194218E7,1.7685132E7,1.3466444E7,1.6790468E7,1.4347173E7,1.4185145E7,2.0926424E7,1.6200425E7,1.9093422E7,1.5025565E7,2.3442684E7,1.1928305E7,2.4807332E7,2.5240372E7,1.9113688E7,1.7528284E7,1.3129028E7,1.238752E7,1.3681086E7,1.5235716E7,1.8540184E7,1.3799436E7,1.2428916E7,1.3202054E7,1.5742507E7,1.3093593E7,1.4673837E7,1.6824734E7,1.5657525E7,1.3568757E7,1.3635658E7 "855.59927 Da 872.09 s",14.53,854.59199,"PC 16:0_22:4","C46H84NO8P",0.0,0.0,4874062.5,1834228.5,9901176.0,0.0,1.1568238E7,0.0,7976087.0,4204422.0,1.00141E7,7893860.0,0.0,9993866.0,8287108.0,0.0,9034596.0,9401139.0,9674508.0,0.0,8680185.0,0.0,9421674.0,9004215.0,7618431.0,0.0,9573476.0,3683030.5,9263786.0,1.0961503E7,8548750.0,0.0,1.2787814E7,0.0,0.0,0.0 "823.57091 Da 870.25 s",14.50,822.56363,"Deoxycorticosterone","C21H30O3",0.0,0.0,0.0,0.0,999091.375,1297167.375,0.0,1108904.5,963525.4375,0.0,0.0,1062531.0,830673.0625,0.0,0.0,1004376.125,838300.0625,0.0,937645.75,0.0,0.0,997543.0625,1146519.5,963720.25,1634655.875,1011803.125,0.0,977538.375,435169.3125,0.0,698182.75,0.0,0.0,848904.875,0.0,1059430.0 "768.54887 Da 870.27 s",14.50,767.54159,"8,11,14-Eicosatrienoic acid","C20H34O2",558253.5625,2219778.75,1147107.875,433807.1875,1833745.75,2084944.5,1126325.125,995849.875,2266828.25,1322379.625,963937.0,840561.0,4931968.5,2872781.75,991443.75,2387818.75,1653290.625,2126703.25,2372146.0,2544315.0,2251352.5,1352370.125,1573092.375,1510044.25,1394415.25,4082559.75,3802648.25,2705259.5,3527233.75,3155708.5,2231290.5,3730314.25,4545787.0,2988956.25,3197181.25,2443145.75 "914.58912 Da 870.58 s",14.51,913.58184,"[2-[docosa-7.10.13.16-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","C49H87O13P",937160.9375,1401698.75,1670420.25,0.0,1126234.125,1064707.125,1651848.625,1133485.75,800975.6875,1111488.0,798551.0625,971825.625,787223.125,1548144.875,907219.375,1172291.25,0.0,1676997.875,1853381.125,1664728.0,1764252.5,760495.5,768693.0,1312536.375,1177799.875,1293942.375,836837.875,817663.6875,932736.5625,1457196.75,925962.875,1012742.5625,1347143.125,1723583.5,1518732.25,2015230.625 "881.61074 Da 870.72 s",14.51,880.60346,"PC 40:5","C48H86NO8P",0.0,9011515.0,0.0,2508897.25,9650699.0,7332066.0,1.013824E7,5725008.5,7031390.5,9792642.0,9373897.0,7047284.5,8697530.0,8803635.0,7640319.5,7721397.0,7702972.5,7584954.5,8031391.5,9724875.0,8810581.0,8332479.0,8798392.0,8190454.5,6488972.0,8973060.0,6699056.0,0.0,0.0,4018705.75,6306179.0,8659344.0,8784679.0,0.0,6791241.0,0.0 "843.53949 Da 870.87 s",14.51,842.53221,"PC(16:0/15-HETE)","C44H80NO9P",0.0,785842.5,505953.90625,0.0,1360178.875,701757.375,1225546.375,1133150.625,633349.5625,933600.0,1193331.125,392957.5625,995888.75,1000407.25,710933.1875,1189206.875,987259.9375,1065568.625,766152.9375,1298998.5,1199627.875,909707.875,875610.0,1196169.75,745091.875,646414.25,798525.875,686624.125,892355.8125,961221.4375,883951.4375,545155.875,702008.5,1021969.75,1035398.1875,538727.5625 "837.58890 Da 870.87 s",14.51,836.58163,"PC O-38:6","C46H82NO7P",727865.25,1711080.625,1453170.75,865507.25,2711663.75,0.0,1978854.125,3034066.5,0.0,1719853.25,2571721.25,3072662.0,1092353.125,2732100.5,1696741.375,3076162.25,2264750.75,2365237.0,2673069.0,3144872.5,2138829.25,1680700.375,3371877.25,2254201.25,2604124.5,1860249.25,0.0,787878.5625,764688.3125,1481744.25,1420295.875,1509808.125,1099621.75,1191495.5,953412.5,1206950.375 "792.50992 Da 870.97 s",14.52,791.50264,"Nigericin","C40H68O11",1193224.375,1668283.25,1696102.75,1208598.5,0.0,0.0,0.0,0.0,0.0,0.0,716762.25,0.0,962740.5,0.0,1627398.75,0.0,1628027.0,2204446.75,1174295.375,0.0,1843925.0,1704402.25,0.0,0.0,1907708.875,0.0,1969899.0,1570309.125,0.0,1822764.375,1813378.375,645324.125,1788636.625,0.0,1780143.75,1824589.0 "837.57390 Da 870.88 s",14.51,836.56663,"Azythromycin","C38H72N2O12",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1309988.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33360 Da 871.24 s",14.52,339.32632,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,475951.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,478290.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34913 Da 871.34 s",14.52,353.34186,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1263461.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,327229.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24014 Da 871.39 s",14.52,255.23286,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,4972048.0,1831986.625,0.0,2776832.5,0.0,0.0,0.0,0.0,2923825.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3180001.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2455712.5,0.0 "888.57370 Da 873.97 s",14.57,887.56642,"PI(18:0e/18-HETE)","C47H85O13P",0.0,0.0,0.0,0.0,0.0,3344574.5,0.0,0.0,2484917.25,2067109.25,0.0,0.0,0.0,0.0,2896072.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3504182.75,0.0,0.0,0.0,0.0,0.0,7284092.0 "832.56274 Da 873.64 s",14.56,831.55546,"PC(18:1e/9-HODE)","C44H84NO8P",0.0,1535568.0,0.0,0.0,0.0,825375.5,1361396.375,0.0,973583.0,0.0,1451497.625,1236209.125,1147961.375,0.0,1586171.75,1679210.125,1243192.125,1538298.75,1327295.75,0.0,0.0,1295330.5,0.0,1059453.0,0.0,1510089.0,1508382.75,1120190.5,1439397.875,0.0,1294566.625,1189380.0,0.0,0.0,1083071.5,0.0 "730.53537 Da 872.95 s",14.55,729.52809,"Vaccenic acid","C18H34O2",0.0,1657260.75,785866.5625,0.0,1372619.25,1011615.125,1221800.375,1029672.5625,924028.3125,1378892.0,1106057.75,1269379.125,2368508.5,1636218.625,1386860.875,1045833.5625,0.0,1510378.875,1302682.0,1442887.375,1608682.625,1216823.125,1101025.125,999160.25,0.0,2070411.25,2417080.0,1809207.25,2216117.5,1582016.5,679796.9375,2093517.875,2436366.0,1910057.0,1727233.375,1490620.0 "753.53144 Da 872.32 s",14.54,752.52417,"PE 37:4","C42H76NO8P",0.0,1375747.125,1043896.5,0.0,851159.375,1262534.875,1967004.125,1051480.25,876981.375,1209823.0,1172014.875,1704407.125,891393.75,1071694.75,724595.3125,1009518.0,1012823.25,1669977.75,1218060.0,2193129.75,896937.75,724121.625,1340431.375,920626.75,1180946.875,1214965.75,696492.25,917957.125,776622.375,809766.3125,1269529.625,617478.0625,918325.4375,1056944.875,1276264.625,978653.5625 "829.58318 Da 873.57 s",14.56,828.57590,"PC 16:0_20:3","C44H82NO8P",1170758.875,0.0,2662715.75,0.0,2002575.25,0.0,6570272.0,0.0,0.0,0.0,0.0,0.0,6553105.5,5755425.0,0.0,4955760.0,0.0,0.0,3220598.25,0.0,3099662.5,0.0,0.0,4307004.0,0.0,0.0,4414728.5,4468651.5,0.0,0.0,0.0,0.0,6418584.5,2519467.5,0.0,3763086.75 "889.57697 Da 873.55 s",14.56,888.56969,"PI(18:0e/18-HETE)","C47H85O13P",0.0,0.0,0.0,0.0,1546395.0,0.0,2325033.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1655875.75,961153.375,0.0,2016374.5,1734075.625,2468576.75,0.0,1195229.625,0.0,1995661.5,0.0,0.0,0.0,0.0,2152243.0,0.0,0.0,0.0,2166847.5,0.0,0.0 "791.50794 Da 871.75 s",14.53,790.50067,"(2-{[3-hydroxy-2-octadecanamidooctadec-4-en-1-yl phosphono]oxy}ethyl)trimethylazanium","C41H83N2O6P",767400.375,0.0,1263684.75,996526.5,1647433.125,1741505.75,0.0,0.0,1700148.0,1479600.0,0.0,1964520.5,1741410.375,0.0,1106972.5,1915714.375,1548795.75,1878263.25,2342961.5,0.0,1591269.75,1303833.25,1273136.5,1273821.875,1541733.625,0.0,1364571.5,1255603.375,1273584.0,1512341.875,1327147.25,0.0,1501820.75,930291.125,1262983.25,1439493.875 "830.58557 Da 873.48 s",14.56,829.57830,"SM d40:2","C45H89N2O6P",1422765.125,0.0,1498329.875,0.0,0.0,1352907.25,3229022.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2777880.25,3420594.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1344964.0,3300489.0,0.0,0.0,1176503.0,0.0 "831.56134 Da 871.57 s",14.53,830.55407,"Pregnenolone sulfate","C21H32O5S",1818293.25,1309399.625,2205292.0,1396288.625,2860189.0,3141286.75,2233268.75,2629698.0,1885973.125,0.0,2392786.75,950162.5625,0.0,3119187.0,3105955.25,0.0,2519092.0,0.0,0.0,0.0,2857185.25,2269480.0,0.0,2642991.75,0.0,0.0,2660564.25,2323657.25,1178523.0,0.0,2774684.5,0.0,1807488.25,0.0,2094077.5,2182593.5 "612.49652 Da 872.58 s",14.54,611.48925,"Estrone","C18H22O2",2070495.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1762680.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,499900.0625,872002.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36529 Da 872.89 s",14.55,367.35801,"Lignoceric acid","C24H48O2",0.0,4213313.5,0.0,2295318.0,2560802.75,1087458.25,2623188.25,3009536.5,2594199.25,2292737.5,2096061.625,2571806.5,2630303.75,0.0,2837953.75,2343795.5,2578568.75,919940.0625,2386411.25,2731664.75,2669722.5,2367290.5,2264490.0,2617934.5,1905567.625,2705124.5,2720619.0,1662419.375,2165942.25,2280905.25,2266916.75,2698913.75,2121446.25,2176926.5,2077522.5,2629936.75 "827.56935 Da 873.54 s",14.56,826.56207,"PC 35:4","C43H78NO8P",0.0,0.0,0.0,0.0,442133.53125,908393.8125,779447.8125,356369.78125,806643.5,0.0,0.0,459435.875,488607.1875,0.0,0.0,985528.9375,630608.4375,678082.0625,702758.0625,702981.0625,0.0,0.0,603099.75,149316.828125,0.0,852060.75,0.0,0.0,0.0,488159.8125,551470.25,649016.6875,533451.8125,470240.46875,0.0,211115.921875 "856.60285 Da 874.16 s",14.57,855.59557,"Vaccenic acid","C18H34O2",1.2871555E7,3764822.5,2786903.0,4953341.5,4975073.0,2.1850156E7,2.0384004E7,2.341726E7,4536836.0,1.5111253E7,5304957.0,1987474.25,1.0197485E7,5153161.5,1.7569872E7,5849467.0,4217413.0,5033866.5,5351573.0,9208923.0,0.0,1.5641517E7,4815781.0,4790253.0,4073680.75,1.6549407E7,1.2324585E7,4990489.5,2034854.375,5673709.5,4686028.0,1.0442722E7,1.1366131E7,1.5922954E7,4713656.5,4638702.0 "789.58799 Da 875.45 s",14.59,788.58071,"PC O-34:2","C42H82NO7P",1750308.375,4459528.0,2342041.5,1144396.5,3691876.75,3751834.75,3867573.75,4469679.0,2296163.5,5285602.5,3618006.0,3577068.0,3325190.25,4134929.75,4013303.25,3811169.0,3179104.0,4054886.0,2802888.25,4237372.5,3324541.5,3169831.0,3168856.5,3684626.0,2718737.5,3617565.5,3285370.25,3398712.5,2743618.25,3892472.5,3300606.25,4436663.5,3117725.5,2628077.0,3114523.0,2752757.75 "761.53415 Da 874.39 s",14.57,760.52688,"Docosahexanoic acid","C22H32O2",0.0,1659988.625,0.0,803796.25,3635444.25,2943916.5,3526741.5,2809515.0,1087189.0,2515687.25,3533552.0,1825154.625,0.0,0.0,1445937.5,1694288.375,0.0,0.0,1778840.0,1946452.625,4091841.5,1418563.75,2232845.25,2902729.0,0.0,2001766.875,0.0,0.0,0.0,910569.5,1397026.625,1579716.375,0.0,1617911.625,0.0,0.0 "837.55047 Da 874.52 s",14.58,836.54319,"PS 40:5","C46H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,1043610.9375,0.0,1949597.5,1960560.875,3204979.5,1496875.625,0.0,0.0,0.0,836571.625,0.0,0.0,2545731.25,0.0,0.0,0.0,1561436.0,1999596.75,0.0,0.0,0.0,0.0,2160400.5,1868845.625,0.0,0.0,2597630.25,0.0,0.0 "778.56634 Da 875.45 s",14.59,777.55906,"13-HODE","C18H32O3",0.0,0.0,0.0,0.0,610054.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,378187.46875,0.0,0.0,0.0,0.0,0.0,839487.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "859.53462 Da 876.89 s",14.61,858.52735,"PC(16:1e/17-HDoHE)","C46H80NO8P",705581.9375,1156581.125,692761.5625,691425.3125,828347.9375,908342.1875,1311799.75,998669.4375,1025828.25,1118560.375,878483.625,1236786.25,1537792.0,1377830.5,1194646.875,1149323.625,2026608.5,1341723.875,1571837.625,3050872.5,1032388.25,1029743.0,826040.25,2142910.0,861869.5,1208626.625,1160349.0,934483.875,1111896.375,961982.25,863017.0625,1347053.5,2577220.75,1268823.5,1025509.0,1012616.625 "849.58876 Da 878.66 s",14.64,848.58148,"PS O-42:6","C48H84NO9P",0.0,0.0,610277.75,0.0,1196782.625,2678565.25,1460770.125,1660240.375,1366058.5,1073520.75,2048993.25,2466096.5,771390.75,0.0,0.0,1562445.375,1014367.5625,0.0,3020235.75,1203502.375,1067773.0,1115209.375,1428209.125,1320359.125,1566021.25,2165795.75,0.0,306631.8125,0.0,1008418.1875,1829664.375,2173213.25,920650.8125,864186.1875,599787.5,2451049.0 "791.54657 Da 877.37 s",14.62,790.53929,"PE 18:0_22:6","C45H78NO8P",4577995.0,9590843.0,6039521.0,3206702.25,9147201.0,8482695.0,1.3569844E7,8505791.0,9883373.0,1.0116598E7,9403239.0,1.1242322E7,1.1566948E7,1.3401708E7,7931476.5,9837131.0,6141363.5,1.0654886E7,1.4009632E7,1.4090595E7,9000195.0,7546438.0,8011054.0,8507703.0,6171897.5,1.1858558E7,7477849.5,6962000.0,9212171.0,8913752.0,8087609.0,1.0565143E7,9960241.0,1.0191596E7,8321929.5,8673245.0 "340.33359 Da 878.01 s",14.63,339.32632,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,410142.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "839.60432 Da 877.65 s",14.63,838.59705,"PC O-38:5","C46H84NO7P",1837974.0,4847528.5,2688901.0,1206087.625,4682213.5,5780449.0,6279959.5,6080752.5,4468033.5,6467417.5,5783709.5,5975364.5,1980895.25,5526176.5,4954467.0,5941240.5,4485863.0,6144166.0,2183414.75,5702569.0,4418589.0,3785424.25,2300535.0,4825415.0,5461435.0,3751171.75,1322113.125,1848315.25,1702765.625,3108641.75,2810875.5,2839720.0,2047528.75,2210424.0,2196633.0,1098791.625 "861.57458 Da 878.90 s",14.65,860.56731,"[3-[octadec-11-enoyloxy]-2-(octadecanoyloxy)propoxy]phosphonic acid","C39H75O8P",0.0,0.0,0.0,0.0,0.0,1551193.125,1239142.0,1369485.375,733879.8125,0.0,1636903.75,3031333.25,1570715.375,0.0,0.0,1946437.5,0.0,0.0,2129088.5,1799547.5,1890520.875,1063493.75,700766.5625,1569157.625,1024637.375,2007523.0,0.0,0.0,0.0,1548872.375,1101799.75,1077971.0,1503539.625,1588958.0,1456575.25,1055236.375 "283.25913 Da 876.70 s",14.61,282.25186,"Imipramine","C19H24N2",1107653.0,1393604.0,1253481.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,582646.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,459797.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "699.51980 Da 877.22 s",14.62,698.51252,"PE O-34:3","C39H74NO7P",0.0,1166301.875,0.0,0.0,1416767.625,1448246.75,0.0,0.0,955422.8125,0.0,0.0,1437197.0,2997338.5,888298.0,1261079.0,1608004.125,0.0,1383692.25,1598307.375,1219544.5,1795907.0,0.0,0.0,0.0,0.0,2504058.5,1784314.25,2803939.75,2517979.25,2559283.0,1642853.75,1749051.625,1683986.0,2328100.0,1846007.875,1882220.5 "626.51187 Da 877.22 s",14.62,625.50459,"Imazamox","C15H19N3O4",0.0,0.0,848473.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,670830.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "775.57284 Da 879.67 s",14.66,774.56557,"PC 32:2","C40H76NO8P",0.0,980205.75,0.0,0.0,1177642.75,1332432.75,1195646.875,1073511.875,691271.125,1277952.375,974803.4375,1263401.375,850064.8125,1106234.125,723763.875,1197963.625,997906.875,1169040.375,1104349.375,1120847.125,1131103.875,749757.3125,997121.0,0.0,834142.25,1912658.0,782809.75,1362521.25,1228157.875,1394506.625,1145578.125,1579444.375,1602887.625,2279790.5,1413083.25,930802.625 "823.57298 Da 879.68 s",14.66,822.56570,"Arachidonic acid","C20H32O2",0.0,0.0,494312.34375,0.0,1319058.0,1820217.875,4241976.0,3361315.0,4043049.5,1447311.625,1640889.125,2280025.25,2143969.75,500642.96875,591255.5,3720714.5,2547968.75,863354.0625,4250371.5,3409843.75,1847996.375,1256140.5,3885456.5,1875696.0,2270946.0,1138477.75,0.0,0.0,0.0,1376092.0,1953166.25,2960939.25,2362767.75,1286203.5,1347871.375,3518668.0 "881.61489 Da 880.03 s",14.67,880.60761,"PC 18:0_22:5","C48H86NO8P",6219465.0,7311920.5,5434099.5,1898426.375,5887409.0,5409110.0,7529767.5,7084997.0,5948071.0,6613999.5,7091680.5,6402324.5,6371961.0,8395599.0,6564401.0,7231484.0,5452592.0,6035790.0,8057372.5,6786611.5,7699119.0,5543530.5,5162735.0,5141893.5,5021825.0,8904901.0,6272971.0,7981462.0,6422027.0,7561683.0,6066578.0,6439650.5,7017042.5,7132733.0,5205680.5,6017841.5 "614.51173 Da 880.42 s",14.67,613.50445,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,1264363.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "855.59908 Da 881.50 s",14.69,854.59180,"PC 18:0_20:4","C46H84NO8P",8992558.0,1.3265627E7,1.2329382E7,4537780.0,1.7153488E7,1.5571288E7,1.4469905E7,1.4729409E7,1.4958401E7,1.0119948E7,1.4362713E7,1.4792851E7,8977630.0,1.3315763E7,1.2577873E7,1.5582754E7,1.142385E7,1.4147172E7,1.6909994E7,1.5927593E7,1.576726E7,1.2062889E7,1.0460096E7,1.3435296E7,1.2719263E7,1.1591626E7,8762121.0,1.0381579E7,7331305.5,1.1278751E7,8414855.0,7571526.0,1.0788328E7,1.1375754E7,7233047.5,8585159.0 "779.56764 Da 881.78 s",14.70,778.56036,"PC 16:0/16:0","C40H80NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9275364.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "864.57300 Da 886.38 s",14.77,863.56573,"PI 36:1","C45H85O13P",1953386.125,1576395.625,3255291.25,843265.0625,1081748.25,812234.5,1113777.875,0.0,1323900.5,942683.1875,3037754.5,3186641.0,844931.8125,4223039.0,1947267.5,885557.8125,0.0,4796177.0,1847240.0,954789.0625,1054763.75,1418930.875,1179768.75,1022526.0,908338.0625,937141.0,2550574.5,3326278.25,2773673.25,1873109.625,671864.4375,1651098.375,1712550.375,1539136.375,4162245.75,3220577.25 "831.59927 Da 884.03 s",14.73,830.59200,"PC 18:1/18:1","C44H84NO8P",4.0556104E7,1.01674888E8,4.93975E7,2.6038516E7,1.02037248E8,7.7982176E7,1.0654716E8,9.8851816E7,6.8104208E7,9.4324456E7,9.0010936E7,7.318548E7,1.1222764E8,1.04216264E8,9.6032008E7,8.6647112E7,7.1183704E7,8.2366024E7,8.0357088E7,1.0458936E8,8.792984E7,7.3934264E7,7.7266352E7,8.7873544E7,6.30405E7,1.075916E8,8.4090888E7,7.2160656E7,8.5074496E7,9.5234072E7,7.1175112E7,1.05201184E8,1.12238392E8,9.6268376E7,8.2120376E7,6.9832112E7 "779.56748 Da 883.66 s",14.73,778.56020,"PC 16:0/16:0","C40H80NO8P",3522660.75,7972491.5,2912640.5,1.3794638E7,8788852.0,5725017.0,1.2687531E7,1.0631585E7,8338950.0,9515857.0,7629847.5,5936217.5,1.2111773E7,1.1026358E7,6736470.0,6325002.5,4979373.5,6343426.0,1.0461257E7,1.2633584E7,8837101.0,5753242.5,9257691.0,8980888.0,5231493.0,1.1772084E7,8848247.0,6391812.5,1.090955E7,6888498.0,3963320.25,7803900.0,1.139768E7,8856658.0,8400828.0,7666570.5 "780.57074 Da 884.54 s",14.74,779.56346,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",5617407.5,1.0387274E7,4397942.5,1.8252564E7,7673719.5,8090781.5,1.5505044E7,1.3448672E7,9941416.0,1.2095797E7,1.0579659E7,7304862.0,1.716277E7,1.3744404E7,1.0636912E7,1.0225509E7,6410052.0,8387817.0,1.3569984E7,1.8263562E7,1.3674718E7,3120781.75,1.065958E7,1.099811E7,6602815.0,1.4172293E7,1.1134481E7,3175083.5,1.4835E7,1.0548172E7,5788983.5,1.0084375E7,1.5364335E7,1.1130843E7,1.0992263E7,1.0326432E7 "805.58354 Da 883.99 s",14.73,804.57626,"PC 16:0_18:1","C42H82NO8P",7.4158344E7,1.37157104E8,9.9275272E7,4.3376444E7,1.31624232E8,1.28236312E8,1.53231968E8,1.39502976E8,1.26394912E8,1.27376112E8,1.24743432E8,1.35933152E8,1.28364488E8,1.49602896E8,1.27299728E8,1.43225696E8,9.0442112E7,1.4603792E8,1.64702E8,1.52474448E8,1.28600672E8,1.00091272E8,1.09415536E8,1.1987468E8,1.05530216E8,1.3588432E8,9.8860304E7,1.03678984E8,1.01175864E8,1.08259344E8,1.00358192E8,1.12580168E8,1.19207224E8,1.22990488E8,9.5240216E7,1.059926E8 "803.56761 Da 884.12 s",14.74,802.56034,"PC 34:2","C42H80NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,675572.9375,0.0,2012119.25,0.0,0.0,1404155.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2735191.5,1345540.75,818847.625,1539826.875,0.0,800364.0,0.0,1978453.125,0.0,0.0,0.0 "749.53530 Da 884.93 s",14.75,748.52803,"PE O-38:6","C43H76NO7P",3265896.75,1197661.75,6603367.0,2340422.5,0.0,9529019.0,9327649.0,0.0,1.0511595E7,0.0,7683904.0,0.0,7978690.5,9630808.0,0.0,0.0,5260871.0,1.2319326E7,0.0,1.0478409E7,0.0,6207206.5,4854579.5,0.0,7198137.5,8812518.0,0.0,7189341.0,2017944.125,0.0,367888.65625,7002757.0,0.0,9475565.0,0.0,0.0 "873.57115 Da 887.66 s",14.79,872.56387,"(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9-dimethyl-14-{[(3-methylbutanoyl)oxy]methyl}tetracyclo[11.2.1.0?,??.0?,?]hexadecane-5-carboxylic acid","C25H40O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6320831.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "779.56885 Da 886.15 s",14.77,778.56157,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6157128.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "858.61783 Da 888.93 s",14.82,857.61056,"SM d42:2","C47H93N2O6P",0.0,7041575.5,0.0,0.0,3502291.0,6047922.5,0.0,7062034.5,0.0,5785495.5,0.0,0.0,0.0,4129156.0,6353935.5,2970408.75,4654888.5,2727015.75,6950198.0,7343452.5,0.0,1986992.375,1975630.375,0.0,4289883.0,0.0,6003340.0,0.0,0.0,0.0,5618553.0,6219977.0,7058930.0,7008470.5,0.0,5757457.5 "857.61178 Da 887.25 s",14.79,856.60450,"PC(18:0e/8-HETE)","C46H86NO8P",5360269.5,0.0,2211905.5,0.0,0.0,0.0,6040272.0,4251512.0,0.0,4395668.5,4155270.75,0.0,5721691.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4738334.5,0.0,3954064.75,0.0,0.0,4247735.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4729364.5 "793.56102 Da 887.87 s",14.80,792.55374,"Tetrahydrocortisone","C21H32O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6900915.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "725.53589 Da 889.59 s",14.83,724.52862,"Phosphatidylcholine 18:2-20:3","C46H82NO8P",0.0,987185.6875,1816683.875,0.0,1160466.625,1604083.75,0.0,519845.84375,1144007.5,827025.9375,0.0,1931795.875,935270.625,1172063.25,887169.125,509944.09375,0.0,923903.625,1640639.875,680874.1875,529698.25,1244065.5,0.0,1263669.375,0.0,2388439.5,1941207.0,2881721.5,2037144.5,2155031.25,1240076.25,1425985.375,1100314.375,1156204.125,1564837.5,1661539.5 "284.27134 Da 889.63 s",14.83,283.26406,"Stearic acid","C18H36O2",0.0,6624943.0,0.0,3289406.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2560106.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1308511.375,0.0,3526321.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1401425.25,0.0 "835.53421 Da 890.32 s",14.84,834.52694,"(2-aminoethoxy)[2-[icosa-5.8.11.14-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid","C43H78NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,951905.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "794.56529 Da 889.89 s",14.83,793.55801,"Cortisone","C21H28O5",1976127.75,5706334.0,3431398.0,910990.0625,5031789.5,4483881.5,3065502.5,2113811.0,5495907.5,4642939.0,4472294.5,6496288.5,7338726.5,6840239.0,5337134.0,5606986.0,2929673.5,5567366.5,7034575.5,7035700.5,6072371.5,4317116.0,1664815.625,4982675.0,3086636.25,6641638.0,5074816.5,5577380.5,5330493.5,5286637.5,4742809.0,4517998.5,6812986.0,6702052.5,5782778.0,5853166.0 "763.55099 Da 890.61 s",14.84,762.54371,"2-hydroxy-4-methoxy-3,5-bis(3-methylbut-2-enyl)-6-pentylbenzoic acid","C23H34O4",0.0,2418203.5,1940453.375,0.0,4245604.5,2388767.75,2534873.0,1866732.375,1038128.75,1759458.5,2551216.5,3330481.25,1617893.875,903543.6875,1230607.0,2235339.5,1316386.375,1676258.125,2990196.25,2459021.0,3725330.0,2572782.0,1583081.5,1780902.0,1765301.875,2275826.0,1475636.0,0.0,0.0,1636540.375,1265722.375,1044982.5625,2087372.625,1642327.625,2240692.25,1832718.875 "767.54644 Da 890.78 s",14.85,766.53917,"PE 18:0_20:4","C43H78NO8P",6669495.5,1.4501052E7,1.1050664E7,4708430.0,1.443047E7,1.1939042E7,1.5751008E7,1.1452285E7,1.2474667E7,1.0213416E7,1.2600862E7,1.6070089E7,1.547465E7,1.5609617E7,1.2883717E7,1.4939895E7,7874749.0,1.6533757E7,1.9828504E7,1.8754006E7,1.5377558E7,1.1411821E7,9146520.0,1.0850897E7,8467359.0,1.6064111E7,1.0522465E7,1.051593E7,1.0515528E7,1.2080588E7,9863973.0,1.1773447E7,1.3174724E7,1.1257728E7,1.2030871E7,1.1857468E7 "793.56199 Da 889.65 s",14.83,792.55472,"PE 18:0_22:5","C45H80NO8P",1685424.75,4429615.5,3246507.75,1674913.25,4502601.5,3052054.5,5912712.0,3552368.75,3767688.75,3850615.25,3975980.0,4876751.5,5813650.5,5467570.0,4019845.5,9511832.0,2733721.25,4797480.5,7079126.5,4815886.5,5302746.0,3233341.75,7023396.5,3816688.75,6245353.5,5529481.0,4146926.5,4077076.25,4706501.0,4981243.0,3544017.0,4691985.5,5608007.0,5792176.0,4955957.5,5718078.5 "864.57215 Da 889.77 s",14.83,863.56488,"PI 36:1","C45H85O13P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1042924.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,786338.9375,0.0 "726.53952 Da 890.67 s",14.84,725.53224,"8,11,14-Eicosatrienoic acid","C20H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,467530.8125,0.0,0.0,0.0,0.0,724421.4375,570494.9375,0.0,0.0,0.0,0.0,0.0,0.0,410385.90625,709746.375,628384.9375,669542.8125,0.0,0.0,0.0,0.0,0.0,658433.5,497610.5625 "795.56939 Da 890.71 s",14.85,794.56212,"PE 40:4","C45H82NO8P",0.0,1393168.125,1405111.0,0.0,1584562.875,1502173.125,1361502.0,1335332.75,1871806.625,1354277.125,1440846.5,2183248.75,2421580.25,775429.8125,0.0,1433680.25,0.0,2138209.25,2473157.25,1863136.75,1885162.75,1586135.5,1036301.5625,1282926.125,1369143.25,2431916.5,1725628.375,1847016.5,1492714.625,1871340.375,2069681.375,1662829.125,1808081.375,1993141.75,1628981.25,2157911.25 "865.61791 Da 891.01 s",14.85,864.61064,"PC O-40:6","C48H86NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2368104.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39655 Da 891.18 s",14.85,395.38927,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1030223.6875,342817.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1543334.375,750236.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "861.55247 Da 892.26 s",14.87,860.54519,"PC(16:0e/7-HDoHE)","C46H82NO8P",0.0,0.0,606083.125,0.0,553720.375,708157.0,0.0,0.0,942495.9375,693459.8125,774887.75,1159579.375,870397.0,924357.0625,0.0,878373.25,0.0,0.0,950354.875,718942.375,869741.8125,807566.625,594663.8125,0.0,590574.8125,1251188.5,0.0,897842.4375,862949.0,974981.1875,726037.0625,584857.5,1051188.625,666557.9375,1209121.875,1140364.125 "283.25920 Da 892.34 s",14.87,282.25192,"Imipramine","C19H24N2",0.0,0.0,612331.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "811.53413 Da 894.04 s",14.90,810.52685,"Vaccenic acid","C18H34O2",1552148.875,4093736.25,1502790.875,1177025.75,2160471.75,2151732.25,1778481.875,1541695.125,1633534.5,1249263.5,1758609.0,1332704.125,2444608.25,2827017.25,1605216.5,1627390.125,1206145.5,1548301.625,1902774.5,1882555.5,2477882.5,1795405.25,1223835.0,2408666.5,1206805.0,2662826.0,3454879.0,2138201.75,2770509.75,3245049.75,2231996.0,2255394.75,2706204.0,2091514.875,3096889.0,2153499.25 "438.44444 Da 892.79 s",14.88,437.43716,"3-hydroxy-6-[(9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl)oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid","C47H74O16",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1413820.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "717.53085 Da 893.27 s",14.89,716.52357,"PE 16:0_18:1","C39H76NO8P",4605881.0,7309279.0,4672856.0,3196195.5,5482146.0,4777470.5,7174269.5,5243436.5,4640255.0,4611766.5,4997905.0,5218203.0,7580663.5,1.0084822E7,6669290.5,5303541.0,3655131.75,6751745.0,7540722.0,8371615.5,7635663.0,5440995.0,4319431.5,4934130.5,3487199.5,7286161.5,9172930.0,6443468.0,7964724.0,5923273.5,4207646.0,7082319.5,6538246.5,6008729.5,6826039.0,6499835.0 "865.61979 Da 892.42 s",14.87,864.61251,"PC O-40:6","C48H86NO7P",1425905.125,3857168.0,1854540.25,908590.9375,2885620.75,5855120.0,3491925.0,3658951.25,2678440.25,3154073.0,3973561.75,3115077.0,1574723.75,3817664.25,3951052.0,3452850.75,2282006.5,3259836.0,3123539.5,3131420.25,2773599.5,2897017.5,2823127.5,3256603.25,2669041.0,2612466.25,2555080.75,1443999.625,1279186.75,2252990.5,2222450.25,3778614.0,1648474.75,3434852.5,3065755.75,2006409.0 "813.54534 Da 893.88 s",14.90,812.53806,"PS 38:3","C44H80NO10P",626473.5,1015204.5625,826831.9375,0.0,999135.9375,851353.6875,827257.125,658613.8125,768343.25,928074.6875,722281.4375,0.0,745019.625,1143357.75,785493.875,781740.5625,544127.875,932427.1875,944160.8125,988822.75,1055356.375,669278.8125,687714.5,791542.5625,0.0,1017616.3125,1349410.25,987242.125,1058551.625,1187845.75,783652.0,931832.625,1095593.125,958604.4375,1134770.0,847202.25 "811.53496 Da 891.28 s",14.85,810.52769,"(2-{[3-(hexadecanoyloxy)-2-[octadeca-9.12-dienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium","C42H80NO8P",0.0,2121746.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "743.54646 Da 893.25 s",14.89,742.53919,"PE 18:1/18:1","C41H78NO8P",8633194.0,1.8971294E7,1.2321626E7,5513346.5,2.2574586E7,1.6102691E7,1.576135E7,1.2305242E7,1.2307408E7,1.1583792E7,1.3455877E7,1.6286297E7,2.4039002E7,1.9118862E7,1.5624719E7,1.9315156E7,9799777.0,1.6133823E7,1.7655864E7,1.8053828E7,2.2820648E7,1.3157988E7,8901303.0,1.2899388E7,8007006.0,2.7533506E7,2.898879E7,2.04814E7,2.1318778E7,2.6340714E7,1.5911946E7,2.0507358E7,2.6882404E7,1.974556E7,2.427475E7,1.8728144E7 "835.53459 Da 891.51 s",14.86,834.52732,"PC 36:4","C44H80NO8P",1635482.75,2347933.25,957900.125,1010185.75,2875916.5,1274159.25,1327113.125,1059402.75,1368322.375,1012241.6875,1047827.875,1437866.0,1194228.375,1490352.125,1217355.25,1132861.75,1819258.25,1659809.625,1749160.125,1631330.0,1273549.25,1318172.5,926135.375,1131149.125,892726.0,1298746.625,1131831.375,1009867.5,1294267.375,2220363.0,941067.375,1029608.3125,1302036.875,1125473.5,476850.84375,1508524.375 "340.33402 Da 892.24 s",14.87,339.32674,"Behenic acid","C22H44O2",0.0,731804.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "789.55189 Da 891.29 s",14.85,788.54461,"PS 18:0_18:1","C42H80NO10P",2043417.25,3411240.25,0.0,0.0,1662947.5,1846413.375,1807716.125,1200222.625,866719.3125,1635816.75,2446682.0,3548539.0,2103191.25,3309611.25,3891963.25,0.0,1215103.625,0.0,1540773.75,3039753.25,3765647.5,1598063.625,1771786.0,1501149.5,1320342.75,2892168.75,4070491.25,5639046.0,2748292.5,0.0,1591361.75,1016436.6875,2036158.25,3042615.5,1882050.125,0.0 "837.55016 Da 892.25 s",14.87,836.54289,"Azythromycin","C38H72N2O12",403349.375,0.0,749232.6875,0.0,0.0,0.0,0.0,626449.5625,1004997.4375,1149220.125,1005128.5625,1455727.25,1248214.875,1276586.25,6216168.5,0.0,0.0,0.0,0.0,1219333.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,964619.9375,427888.625,0.0,7577181.5,1143928.0,0.0,0.0 "790.55587 Da 891.73 s",14.86,789.54859,"2-amino-3-({hydroxy[2-[octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid","C42H80NO10P",0.0,1824192.875,1847605.25,0.0,927088.125,914844.5,914324.875,697075.5625,404556.78125,716369.8125,741437.0,1659870.25,1651431.625,1657121.375,1790304.625,556637.375,457966.5625,2071975.625,1939670.0,1525916.75,1512305.375,736569.625,478619.96875,919542.1875,711172.9375,1398074.0,2151535.75,2723824.5,1188926.75,1349797.0,949414.75,1110406.625,1338572.625,1420329.75,2662468.25,2741552.25 "803.60320 Da 893.32 s",14.89,802.59592,"Vaccenic acid","C18H34O2",0.0,1379134.875,0.0,0.0,1074787.5,1006194.6875,1164170.75,1628312.875,0.0,1303512.375,1234349.875,891592.75,713466.125,1140083.375,1001194.75,1089293.875,797803.25,0.0,0.0,815108.0625,0.0,1077708.625,1120886.75,797416.1875,0.0,1135955.0,1399956.375,0.0,1189247.125,861323.625,867982.4375,1382892.625,980112.6875,842536.0,896345.4375,928103.5625 "354.34947 Da 893.61 s",14.89,353.34219,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,705202.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "778.56474 Da 893.84 s",14.90,777.55746,"PC 32:1","C40H78NO8P",0.0,0.0,0.0,0.0,0.0,0.0,499875.5625,0.0,0.0,0.0,0.0,0.0,0.0,821516.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "785.51830 Da 893.96 s",14.90,784.51103,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",965022.375,1760765.375,988562.8125,1309903.375,1421854.75,1411609.125,1701959.375,1094200.375,730802.6875,1233910.875,1302842.125,1412867.5,1169515.0,1409397.5,1106359.75,1557762.5,1002342.5,1404907.75,983506.25,1069637.125,1884237.25,1379038.25,883990.0,1763509.125,1030429.75,1033893.9375,1430558.375,982441.5625,1636777.375,1697168.0,1412485.0,893579.25,1861636.25,1504053.0,1141439.0,1020495.6875 "841.61815 Da 894.20 s",14.90,840.61088,"Docosatetraenoic acid","C22H36O2",0.0,4086744.5,1485268.75,0.0,3465738.25,2904790.5,3490247.5,0.0,0.0,2864430.0,4054993.25,2473347.75,930182.6875,3348921.25,4141461.0,2802824.5,1175777.75,2950763.25,2235651.0,2992021.5,3174394.25,1461309.75,2451792.75,1504630.5,0.0,1983886.75,668496.625,0.0,0.0,2044212.625,0.0,1867074.875,1443957.75,1581568.0,1381283.125,1521749.875 "793.58255 Da 894.30 s",14.90,792.57528,"PC 33:0","C41H82NO8P",527948.3125,1161647.75,1114602.875,1330749.375,604621.0625,1035065.4375,831456.5,657129.375,551768.0625,1136187.25,1109093.375,597379.0625,2130071.75,1690617.625,1295143.0,1174288.0,1031185.4375,1708944.5,945860.3125,844776.0625,1430532.375,813413.125,1152923.25,1461751.25,748807.6875,735287.0,1528401.25,568011.5,1418803.0,787099.6875,835811.75,723573.75,817801.3125,858037.375,1417719.375,1410834.875 "785.51894 Da 896.40 s",14.94,784.51166,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1019407.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "775.55147 Da 894.80 s",14.91,774.54419,"PE O-40:7","C45H78NO7P",3416043.0,1.1086198E7,6347721.5,2548489.25,9599178.0,7446331.0,9738781.0,7925439.5,7688407.5,6978211.5,8931530.0,9851295.0,5661532.0,9577949.0,1.0397474E7,9630739.0,4341572.0,1.0214003E7,1.1926789E7,1.0016834E7,1.0619671E7,9400273.0,5324644.0,8097451.0,5464387.5,6542234.0,5225012.0,5108847.0,4565231.0,6350058.0,4790454.5,4893716.5,6111233.5,5905098.0,6283067.5,6096764.0 "881.61382 Da 896.04 s",14.93,880.60654,"PC 40:5","C48H86NO8P",1081862.5,954186.1875,814810.625,0.0,1127686.0,884613.25,1008055.75,831460.625,793809.1875,0.0,711451.75,0.0,868472.1875,564216.125,525964.5625,1078599.0,0.0,1007309.625,1256311.875,1005323.125,994041.875,0.0,0.0,890651.5625,0.0,1006897.6875,933285.3125,1165865.25,917764.9375,780606.25,754819.0625,778906.1875,943171.0,533303.8125,667276.8125,1181788.375 "843.53917 Da 895.38 s",14.92,842.53189,"Docosahexanoic acid","C22H32O2",1331002.0,1313021.25,1070933.625,839858.9375,1279867.125,1162014.75,1126766.75,1110083.75,1393949.125,1003184.5,1547161.875,1236110.625,1586411.5,1395387.0,1226631.75,1331712.25,955750.0,1327951.625,1448427.5,1340015.5,1583030.5,1433249.0,1007548.4375,1436529.25,1048143.0,1092368.25,962066.0625,812605.3125,888276.9375,997550.0625,905879.5,1199464.75,918292.625,872119.5625,997389.5,971188.4375 "777.55098 Da 894.82 s",14.91,776.54371,"PC 32:1","C40H78NO8P",0.0,941351.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1166385.75,0.0,577411.375,0.0,1792487.75,0.0,1197242.125,0.0,1530588.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1969775.25,1828023.625,0.0,0.0,0.0 "804.57085 Da 895.52 s",14.93,803.56357,"Imipramine","C19H24N2",0.0,619652.3125,0.0,0.0,0.0,754135.5,934403.0625,842385.4375,646613.9375,923448.75,579745.875,532440.3125,0.0,736509.75,732202.9375,717253.25,825913.0625,617474.1875,426794.1875,759303.3125,563577.8125,649147.6875,0.0,632448.875,827538.9375,0.0,726985.9375,418622.8125,866439.25,666793.625,388958.6875,0.0,1050231.75,0.0,500594.625,716299.625 "779.56985 Da 895.75 s",14.93,778.56258,"PE O-40:5","C45H82NO7P",0.0,367421.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,566096.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "857.61418 Da 897.01 s",14.95,856.60667,"PC 38:3","C46H86NO8P",5318302.0,4532483.0,4882750.5,1230128.875,4311185.5,4102649.25,6530859.0,6098117.0,3763235.25,4285423.5,5477741.0,3918565.5,6144195.0,4626154.5,4011642.5,4180175.75,3044142.75,5299070.5,4700635.5,4567882.5,6189434.5,8703621.0,3868066.5,3949482.25,2707355.0,7275834.0,4434519.0,7452666.5,4181252.75,4576794.5,3810239.0,4193897.5,5123844.0,4747543.5,3813971.5,5808303.5 "751.55138 Da 897.23 s",14.95,750.54410,"PE O-38:5","C43H78NO7P",1815026.75,2651554.75,3492025.5,1155207.75,2412937.0,2072976.875,1871965.0,3266971.25,1612993.625,2866641.75,1891084.375,2510703.25,4369078.5,4073293.5,2219739.0,2382982.0,2654278.0,2346169.5,2291016.75,1769594.5,3080711.25,2123643.75,2377055.75,1643825.625,1574433.875,4847295.0,4326045.5,4115119.75,1553115.375,2085396.75,1325059.875,3653323.0,2121860.0,3374665.5,3757647.5,4516486.5 "242.22470 Da 896.15 s",14.94,241.21743,"SM d40:0","C45H93N2O6P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,787659.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,792019.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "761.52048 Da 896.15 s",14.94,760.51320,"SM d33:1","C38H77N2O6P",0.0,1127875.25,0.0,0.0,521542.21875,614794.5625,751788.0,0.0,380052.21875,0.0,0.0,834505.875,501635.71875,0.0,930566.0625,0.0,0.0,1283347.5,809906.625,887279.4375,0.0,0.0,735078.875,499904.28125,654886.125,856062.625,1048904.5,1301825.75,1164268.5,543786.5625,529308.875,914655.6875,1047441.3125,721791.875,1030450.5,957524.4375 "859.62057 Da 896.31 s",14.94,858.61330,"SM d42:2","C47H93N2O6P",2205015.25,2151381.25,2385985.0,0.0,1180053.125,1777533.125,2132099.5,2052187.875,1997712.75,1974736.5,1956730.25,2137305.0,2218610.75,1954036.5,986110.1875,2146510.75,1507590.75,2134955.0,2357551.0,2130659.5,2095270.75,1692096.75,1510205.25,1893626.25,1237771.5,2315377.5,2172702.25,2370078.25,1906650.375,2693374.75,1961845.0,1208933.0,2278692.75,2343091.75,1867906.125,1852824.5 "747.52001 Da 896.68 s",14.94,746.51273,"4-Methylumbelliferone","C10H8O3",0.0,500293.09375,0.0,0.0,483948.28125,713775.8125,745335.5,229169.15625,0.0,519633.78125,342282.71875,0.0,0.0,806010.6875,695050.875,563064.9375,0.0,391571.09375,603241.0625,536110.0,0.0,0.0,0.0,674819.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "887.58489 Da 896.75 s",14.95,886.57762,"PC 35:5","C43H76NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,764343.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.22016 Da 896.84 s",14.95,269.21288,"Estrone","C18H22O2",275376.71875,331359.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "752.55512 Da 897.50 s",14.96,751.54784,"Docosatetraenoic acid","C22H36O2",997142.0,3104241.0,1030224.875,0.0,3228116.5,2225465.5,2249633.75,1904160.75,1620164.0,921235.875,2567885.0,3290749.75,1142093.375,1187755.75,2708898.0,2696740.5,1419469.75,3423556.75,2829240.25,2227734.0,3974055.5,2803308.0,720748.875,2191602.25,1667622.75,2386943.75,2454933.25,1973023.0,1870046.75,2215332.75,1669571.125,821923.125,2131751.5,1835066.625,2363913.5,1975501.75 "838.55423 Da 897.84 s",14.96,837.54696,"Hederacoside C","C59H96O26",0.0,0.0,411902.8125,0.0,0.0,443568.0625,0.0,0.0,408146.53125,374060.0625,0.0,742678.5,580068.5,0.0,464081.8125,567900.625,447505.625,0.0,0.0,598455.5625,376759.09375,208507.21875,0.0,369998.78125,561688.875,781184.1875,0.0,447336.1875,393872.84375,507316.90625,405780.78125,652323.25,474829.03125,0.0,501589.25,0.0 "811.53380 Da 898.52 s",14.98,810.52652,"Imipramine","C19H24N2",0.0,1616425.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,700381.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,646443.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "883.63029 Da 897.97 s",14.97,882.62302,"PC 18:1_22:3","C48H88NO8P",790757.8125,2533892.75,0.0,852090.75,1328189.625,1081844.875,1547281.25,2591665.0,930767.375,1168508.25,1432002.625,2020741.0,2827319.0,2521505.5,2231272.5,2426463.25,2028019.5,2301270.5,1417997.625,1427562.625,2590670.75,985870.875,1129178.5,1119990.25,1509101.0,1442049.875,2393340.0,1167088.625,2141384.25,2632059.0,1871244.375,1292803.75,1376994.5,1471439.75,2363885.0,970933.4375 "831.59750 Da 898.11 s",14.97,830.59023,"PC 18:1/18:1","C44H84NO8P",0.0,0.0,0.0,350098.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1674564.875,0.0,0.0,0.0,0.0,0.0,7754334.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "840.60764 Da 898.10 s",14.97,839.60036,"Docosatetraenoic acid","C22H36O2",930691.5625,3118184.75,2239412.5,904343.0,4122942.75,3937491.5,4102328.75,3569800.25,3366035.5,3328487.25,3373270.25,3795883.5,1569256.625,2963149.0,2366154.75,4271965.0,2123082.75,3425754.25,4291733.5,4129989.5,3761132.25,2791322.5,2936583.75,3270278.0,3196097.0,2730954.75,1032224.125,1241176.375,1088020.25,2188064.25,2004536.5,1802814.5,1672159.125,1612475.25,1106575.5,929365.125 "751.54935 Da 898.31 s",14.97,750.54208,"(2-aminoethoxy)[2-[icosa-5.8.11.14-tetraenoyloxy]-3-[octadec-1-en-1-yloxy]propoxy]phosphinic acid","C43H78NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3084977.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "884.63352 Da 898.11 s",14.97,883.62624,"PG 40:5","C46H81O10P",0.0,1397777.75,957272.0,0.0,1756608.125,1223112.75,1868689.75,1479052.375,1341714.625,914435.75,1497713.0,1261890.125,888142.25,769376.5625,1430290.875,1252831.0,687250.25,1594172.5,1639299.25,1730206.75,1549926.875,1179658.875,1289468.75,1381565.25,1061672.375,1526159.125,1403383.375,1574938.125,726565.0,1685657.125,551511.5625,1537734.5,1883584.5,1609421.125,1307196.125,1316514.25 "845.61403 Da 898.63 s",14.98,844.60675,"PC(18:1/13-HODE)","C44H82NO9P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3242488.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "868.63803 Da 899.48 s",14.99,867.63076,"PC(16:0/17-HDoHE)","C46H80NO9P",664691.75,3735939.25,1175630.0,0.0,2156441.0,2166997.5,2572042.75,2952994.75,1899514.125,1989306.875,3175713.5,2213159.5,1221983.5,2238181.0,3423012.5,2249656.25,1408372.25,2340319.5,2125800.0,2777807.0,630306.1875,2461078.25,1534135.875,2524288.75,1431638.625,1701455.875,1320456.0,1330838.5,832718.5,1631149.25,1350611.875,1264665.0,1207025.75,1062089.375,1375324.625,1148059.25 "883.59320 Da 900.01 s",15.00,882.58592,"PG 40:5","C46H81O10P",568359.25,662265.0,537121.125,0.0,640792.9375,553262.25,375503.8125,675170.625,613950.0625,677775.625,392563.65625,379166.03125,343265.875,540805.375,583235.4375,775779.625,364538.25,770094.625,343691.65625,785007.1875,358649.03125,359397.125,832061.8125,593791.6875,756112.125,1054702.5,694293.0625,688020.0,724571.5625,507116.125,521390.15625,563748.8125,764685.625,600110.9375,399558.65625,742974.5625 "789.58830 Da 900.95 s",15.02,788.58103,"(2-aminoethoxy)[3-[octadec-1-en-1-yloxy]-2-[octadec-9-enoyloxy]propoxy]phosphinic acid","C41H80NO7P",2732376.0,4648022.0,4516250.5,2154233.0,6475868.0,5742008.5,5415564.0,4376344.5,4252655.0,4351458.0,4468323.0,5475661.5,6773943.5,5220589.0,4210378.5,6965465.5,3517345.75,5543253.5,5546587.5,5164414.5,6475036.0,3802156.75,3496264.25,4187171.5,3700599.25,8279724.0,4905962.5,5730526.5,5115087.5,6365773.0,5780553.5,5611846.0,6376778.0,6406490.5,5702133.0,6452449.5 "817.58338 Da 900.67 s",15.01,816.57610,"PC 40:7","C48H82NO8P",742036.6875,415969.53125,436426.96875,671201.4375,2179156.25,1741295.625,2445617.0,1792475.875,1826736.75,2051922.0,2610341.75,3204964.5,2342480.75,517883.4375,416553.96875,1619097.375,865453.1875,452516.59375,2184153.75,2350460.5,1683805.125,1420959.125,1726163.75,2128643.0,2028940.0,2446390.75,0.0,602058.5625,481487.65625,1962594.625,1479135.625,2356020.0,1747049.5,2131867.75,1818841.625,2521557.5 "845.61472 Da 900.40 s",15.01,844.60745,"PC(18:1/13-HODE)","C44H82NO9P",2024715.125,3825633.25,1772806.875,898762.875,3315934.25,2873189.5,3883522.5,3296583.75,2792525.25,3016316.5,3288890.5,2793799.75,4418492.5,3522126.5,3668051.75,3235734.0,2372217.25,3595743.25,3624164.0,4158194.75,2996627.75,2295060.5,2589659.75,2819326.5,1760385.5,3678396.75,3324414.5,2963079.25,3306505.25,3293083.25,2513943.75,3410630.0,3867263.25,3835435.75,3029106.75,2719277.0 "857.57801 Da 900.90 s",15.02,856.57074,"PC 38:3","C46H86NO8P",0.0,0.0,520225.1875,596998.75,806246.5,850504.8125,745525.75,0.0,0.0,0.0,0.0,715854.5,887622.25,1069239.125,613440.1875,924716.0,492519.0625,762344.0625,769024.875,0.0,795077.0,481885.28125,511887.59375,647420.5,606271.0625,1235808.375,755835.0,806801.3125,719145.3125,983318.9375,893897.875,965063.5,807977.625,700489.125,848645.8125,918898.0625 "725.53619 Da 900.46 s",15.01,724.52891,"PE O-36:4","C41H76NO7P",0.0,0.0,0.0,0.0,725247.6875,0.0,477183.28125,0.0,0.0,0.0,0.0,1062552.875,937465.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,737012.1875,0.0,1287891.5,0.0,809540.3125,686995.75,1002614.5,0.0,0.0,0.0,0.0,0.0,0.0 "819.59914 Da 901.32 s",15.02,818.59186,"PC 35:1","C43H84NO8P",3492707.25,5575908.0,4276307.5,1854047.75,6347219.0,5780838.5,6994524.0,6144794.5,6284366.0,4885389.0,5423684.0,6114460.5,6457962.5,5861374.5,4861734.5,6045590.5,3612897.25,6000573.0,7915725.0,6877258.5,6304925.0,4281161.5,3929564.5,5368815.5,4143051.0,6803208.5,4690547.0,5433973.0,4473196.5,5830022.5,4307395.5,4923753.0,6420641.5,6097567.0,5460476.0,5315175.0 "858.58235 Da 901.46 s",15.02,857.57507,"SM d42:2","C47H93N2O6P",0.0,512266.71875,0.0,0.0,1083909.0,960905.3125,1012222.125,0.0,486880.5,372143.8125,0.0,1043694.3125,1038137.9375,0.0,0.0,1480319.0,439422.53125,1150398.75,0.0,0.0,539313.375,905912.0625,880760.25,757061.9375,930915.6875,1242795.75,1142358.625,1041069.3125,558935.75,1174815.75,1040221.5625,1077650.875,1059663.0,1230202.0,1172172.0,1264594.25 "763.57265 Da 901.43 s",15.02,762.56537,"PC O-32:1","C40H80NO7P",639370.5,960466.75,796667.75,2474042.0,1259910.75,1084848.5,1638643.375,1772416.875,1470622.5,1375384.0,1285359.625,1342478.625,1608525.375,1184592.375,968358.3125,1290809.5,833883.3125,1041341.9375,1964327.125,1804098.625,1576344.25,948357.0625,1103873.25,1354268.0,935760.875,1549008.0,1261806.625,1010753.0625,1590344.25,1112425.875,1051322.5,1257679.5,1534781.875,1250192.5,1286234.375,1340823.25 "438.44361 Da 900.25 s",15.00,437.43634,"3-hydroxy-6-[(9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl)oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid","C47H74O16",1472827.25,1405821.625,2250676.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2757135.5,1456352.25,0.0,0.0,1973963.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1131926.25,2266402.5,1352181.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "867.63450 Da 902.34 s",15.04,866.62722,"PC O-40:5","C48H88NO7P",1518621.5,2662445.75,815822.6875,819928.5625,1732370.375,1589157.75,1923086.375,2133734.75,1097299.25,1955464.25,2259299.0,1757951.875,817602.25,1567800.625,2154607.0,1676319.25,1086799.875,1582215.0,1636980.25,1783176.25,1745609.375,1793512.0,1251800.25,2052220.125,1372033.375,1428880.125,726791.4375,951734.5,1345578.625,1266522.375,1195272.375,959252.75,795055.375,928922.5,1079872.125,966253.75 "831.56038 Da 901.75 s",15.03,830.55310,"PC(18:1e/9-HODE)","C44H84NO8P",0.0,0.0,0.0,534632.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "749.53633 Da 902.56 s",15.04,748.52905,"PE O-38:6","C43H76NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,506773.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,304660.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2146626.5 "789.55294 Da 903.55 s",15.06,788.54566,"PS 18:0_18:1","C42H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,874621.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,989160.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1159345.0,0.0,0.0,0.0 "438.44298 Da 904.07 s",15.07,437.43570,"3-hydroxy-6-[(9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl)oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid","C47H74O16",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,846473.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "793.56388 Da 904.15 s",15.07,792.55660,"(2-aminoethoxy)[2-[docosa-4.7.10.13.16-pentaenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid","C45H80NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,869344.5625,732739.0,502037.5,0.0,0.0,768097.1875,0.0,837154.5,857109.0625,0.0,0.0,0.0,0.0,0.0,669893.3125,825896.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,434950.90625 "841.61925 Da 904.23 s",15.07,840.61198,"PC O-38:4","C46H86NO7P",1256860.125,3859959.5,2736582.0,718071.9375,4202955.5,3814288.75,3565022.25,4395464.0,2870214.75,3161785.25,4411426.0,4426806.5,1419682.25,3246568.75,4351195.0,4802774.0,2160183.75,4810138.0,3838434.75,3385986.25,3646189.75,3472851.5,2841556.75,3548998.5,3141775.0,2492291.25,1295858.0,1417043.375,902581.0625,2119642.25,1734495.75,1712678.75,1523161.25,1624586.75,1465165.25,1690803.25 "723.52032 Da 904.43 s",15.07,722.51305,"PE O-36:5","C41H74NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,178234.234375,0.0,0.0,0.0,201671.671875,0.0,605760.625,544431.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "829.58345 Da 904.86 s",15.08,828.57618,"Linoleic acid","C18H32O2",0.0,688768.9375,0.0,0.0,834163.4375,709088.8125,470363.25,0.0,0.0,939726.125,0.0,0.0,914955.8125,0.0,627742.875,725084.0,0.0,0.0,0.0,882776.3125,0.0,292180.53125,0.0,707728.9375,764577.125,0.0,605774.4375,0.0,437325.71875,593138.5625,0.0,904896.0,0.0,0.0,0.0,542290.5625 "369.36868 Da 905.49 s",15.09,368.36141,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1361454.75,0.0,470783.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,679553.8125,342061.90625,630685.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "770.56515 Da 905.73 s",15.10,769.55787,"8,11,14-Eicosatrienoic acid","C20H34O2",740954.4375,1082028.125,1526248.25,0.0,1356494.25,1446611.5,1580220.625,1108960.5,1591420.125,824745.375,654917.25,1872716.625,1569634.0,965095.5,1300791.125,712700.875,854575.125,1981135.5,2369448.5,2001584.875,1882221.5,1062124.25,926657.3125,534845.25,562388.0,2430247.5,1281589.375,1720400.375,1121927.5,641984.75,1358751.375,1122968.0,1489766.375,1348480.625,1889686.625,2077452.875 "817.61927 Da 905.75 s",15.10,816.61200,"PC O-36:2","C44H86NO7P",1931838.875,5351711.0,2820083.25,1088912.75,4186851.0,4371128.0,3983727.25,3854025.75,2682515.5,3848980.75,3650164.0,3586092.5,3518397.75,5007131.0,4606168.0,4504825.5,2616844.5,4788096.0,3293628.0,3750010.5,4204573.5,2987592.0,3276933.75,2979777.25,2816299.25,5676501.0,3852224.5,4025995.75,3848191.5,4769983.0,4246352.0,4691976.5,3504675.75,2959704.0,4088681.25,3845670.5 "777.56664 Da 906.21 s",15.10,776.55936,"PE O-40:6","C45H80NO7P",2161636.75,6126828.0,4390252.5,1423696.375,6381004.5,5071796.0,4885360.5,3839122.75,4602424.5,3635978.5,5812810.5,6897411.5,4205195.0,5320409.0,5617662.5,5186241.5,2624869.0,7061972.5,8135087.0,5837256.0,7608627.0,5891335.0,2878115.75,4780823.0,3757380.25,5414559.0,4129697.25,3995194.5,3380712.5,4706683.5,3452622.75,3110479.25,4922322.5,4254682.5,5209260.0,5345955.0 "777.56360 Da 908.15 s",15.14,776.55633,"PE O-40:6","C45H80NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2789310.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "791.60379 Da 906.70 s",15.11,790.59652,"PC O-34:1","C42H84NO7P",8779534.0,1.8284938E7,1.4457736E7,4479380.0,1.4992657E7,1.3698727E7,1.3908047E7,1.321002E7,8675160.0,1.0790346E7,1.4180643E7,1.32053E7,1.1631146E7,1.9233244E7,1.7426932E7,1.5064245E7,8077370.0,1.5798276E7,1.1637833E7,1.3622301E7,1.5667278E7,1.1325596E7,9025725.0,1.1929986E7,8340242.0,1.6349254E7,1.3627507E7,1.2190818E7,1.2003383E7,1.4117827E7,1.075279E7,1.1959109E7,1.1096941E7,9206059.0,1.2548506E7,1.1938971E7 "765.58764 Da 907.01 s",15.12,764.58036,"PC O-32:0","C40H82NO7P",907341.6875,2388602.5,821415.375,3019103.0,1660479.875,1317852.625,2504390.75,2538923.5,1442263.875,2048930.5,2117704.0,1625615.625,1756332.25,2611888.0,2180135.75,1600560.625,906080.6875,1721441.75,2081223.25,2530872.75,2255591.5,1336865.125,1621483.875,2099769.5,1218213.125,2071443.125,1734193.0,1059310.625,2129942.25,1325942.375,1140328.375,1742184.75,1944724.375,1315619.5,1779412.375,1500356.625 "769.56196 Da 906.32 s",15.11,768.55469,"PE 18:0_20:3","C43H80NO8P",721552.8125,1390826.375,1114776.375,1262296.625,1450071.0,1317933.0,1467657.875,1008135.25,1253352.625,813038.25,2045475.375,1638097.5,1330810.375,1343978.0,1267709.625,1316871.875,1720368.375,1375337.125,2290658.0,1705087.75,1793778.625,932819.625,877354.375,1077304.375,781074.8125,1578153.125,1497312.125,1343780.0,1239983.875,1445902.25,1232634.25,949693.6875,1319502.875,1585072.125,1474581.375,1763094.5 "858.61851 Da 906.75 s",15.11,857.61124,"SM d42:2","C47H93N2O6P",1149531.0,754356.6875,801710.9375,0.0,0.0,0.0,1418204.75,1478862.125,849573.75,1178143.875,968270.4375,1524917.25,1652332.375,0.0,1631544.5,1192278.0,0.0,0.0,1514778.375,0.0,1227148.25,0.0,0.0,947478.4375,1059593.0,2098103.75,0.0,2311425.75,1381580.375,952213.4375,0.0,1370578.5,1651406.875,1560262.25,1236445.25,1696773.625 "808.59465 Da 906.88 s",15.11,807.58738,"PC 34:0","C42H84NO8P",0.0,862837.1875,970123.9375,0.0,1062223.375,940820.0625,762329.125,699742.3125,646511.875,886069.9375,847029.875,357392.6875,732335.3125,1244950.125,1174341.875,982742.9375,677695.3125,953665.1875,828067.75,447525.4375,535065.1875,833606.875,732189.0625,671378.5,576815.3125,512874.625,931945.1875,958065.5,1004615.5625,568651.25,385980.25,296581.75,763617.125,0.0,0.0,705414.6875 "819.53957 Da 907.24 s",15.12,818.53229,"(2-aminoethoxy)[2-[icosa-5.8.11.14-tetraenoyloxy]-3-[octadec-1-en-1-yloxy]propoxy]phosphinic acid","C43H78NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1172198.875,0.0,0.0,0.0,0.0,0.0,812727.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "833.57560 Da 906.94 s",15.12,832.56833,"PC(16:0/13-HODE)","C42H80NO9P",0.0,0.0,0.0,735688.125,0.0,0.0,904477.125,506165.03125,0.0,776706.875,0.0,508742.09375,674937.625,1058881.0,0.0,0.0,0.0,0.0,794247.6875,875912.1875,863127.5625,0.0,0.0,1051313.0,513608.65625,738397.625,0.0,0.0,805015.3125,675756.25,0.0,0.0,0.0,652955.25,756131.5,0.0 "751.55140 Da 907.61 s",15.13,750.54412,"PE O-38:5","C43H78NO7P",2509286.25,5445402.5,5948546.5,1781935.5,6030617.0,6099951.5,4863030.5,3940939.5,6058957.0,3505321.5,4486563.0,8497770.0,5840521.0,5248902.0,4406947.5,7753427.5,2733876.75,8942985.0,1.0325274E7,6544422.5,7159418.0,5036418.0,2734651.25,4292555.5,4499568.5,6580726.5,5901814.5,6094042.5,4269189.0,6192881.0,4371456.5,4275695.0,6424004.5,6154950.0,6738594.5,7849285.5 "765.58880 Da 908.74 s",15.15,764.58153,"PC O-32:0","C40H82NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1197253.75,0.0,0.0,0.0,0.0 "845.55299 Da 908.27 s",15.14,844.54572,"Tetrahydrocortisone","C21H32O5",0.0,0.0,0.0,0.0,0.0,1041763.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "791.60238 Da 909.59 s",15.16,790.59511,"PC O-34:1","C42H84NO7P",0.0,0.0,7172507.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "859.59204 Da 906.89 s",15.11,858.58477,"PC 38:2","C46H88NO8P",1697588.0,2718701.25,1818380.0,996259.4375,1899815.25,2121476.25,2176479.25,1864918.25,1507809.375,1926897.875,2125662.0,1876840.375,1903406.75,2159305.75,2438468.25,2337749.5,1616301.375,2201150.75,1710268.0,1959893.125,2559570.75,1744082.375,1528512.625,1651671.375,1653969.875,2201823.25,2165385.5,1620253.625,2002920.0,2363876.0,2004144.875,1825949.125,1841593.0,1363159.5,1813091.75,1746340.25 "886.61017 Da 906.94 s",15.12,885.60289,"DOCOSAHEXAENOIC ACID","C22H32O2",0.0,994941.625,742930.3125,0.0,970220.1875,970375.375,767998.8125,528755.875,0.0,891158.5625,742955.625,932986.1875,787176.375,0.0,935994.625,1043213.4375,828950.6875,940607.375,0.0,781608.5625,841118.125,827915.25,752426.5,693981.5,743788.5625,990504.0625,779224.6875,736314.375,811856.5,940947.625,1091020.875,876968.75,953117.6875,776993.4375,449431.0625,848455.4375 "837.54939 Da 907.33 s",15.12,836.54211,"PS 18:0_22:5","C46H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,596877.6875,0.0,0.0,0.0,873632.375,0.0,1232739.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36546 Da 907.66 s",15.13,367.35818,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,1636566.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1360593.375,0.0,0.0,0.0,0.0,0.0,0.0,1101046.875,0.0,0.0,0.0,0.0,1282394.625,0.0,0.0 "283.25952 Da 908.20 s",15.14,282.25224,"Imipramine","C19H24N2",1136345.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,442373.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "761.52091 Da 908.47 s",15.14,760.51363,"PS 16:1_18:0","C40H76NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,362488.21875,0.0,0.0,0.0,0.0,545027.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "727.55150 Da 910.59 s",15.18,726.54422,"PE O-36:3","C41H78NO7P",788438.6875,1823965.625,1242062.5,0.0,1486593.5,1402211.125,934135.5,1243800.375,992287.25,878972.375,1144672.5,1362418.0,2131105.75,1304611.75,1224148.5,1382943.125,1108744.125,1614412.375,1750303.5,1545926.375,2015843.75,1082568.125,1168818.5,927124.0,822541.5625,2214319.0,2280986.5,2283271.0,1923292.875,2167622.0,1724187.5,1593413.125,1918458.0,1584184.125,2352445.0,2070350.375 "731.54654 Da 910.63 s",15.18,730.53927,"PC 33:1","C41H80NO8P",0.0,720092.125,1065346.0,0.0,785979.3125,1202698.0,934515.0,1048930.25,1031262.5625,962189.0625,1089383.5,1043542.8125,962129.1875,1314129.375,1169445.25,848754.375,0.0,1153116.0,1371913.75,1045380.9375,869709.8125,1051790.25,0.0,1101679.375,0.0,812025.8125,869169.75,1143705.0,1176041.375,1345709.0,0.0,757380.1875,880696.125,1089847.125,905536.0,936699.75 "769.52337 Da 911.80 s",15.20,768.51610,"Vaccenic acid","C18H34O2",0.0,927609.875,859832.875,0.0,626555.875,887158.0,0.0,0.0,0.0,0.0,0.0,1120517.0,622421.5625,0.0,1168240.875,674830.6875,0.0,480923.78125,969289.9375,524879.875,699425.25,0.0,0.0,702469.0625,0.0,883964.375,946236.5,828002.5,996325.375,859418.625,524309.75,979836.5,722842.125,526859.0,861677.0,1487517.625 "795.53913 Da 911.58 s",15.19,794.53185,"PC(18:1e/5,6-EET)","C46H84NO8P",0.0,0.0,0.0,0.0,535385.25,434221.6875,0.0,0.0,0.0,0.0,0.0,0.0,745358.625,0.0,0.0,286834.75,0.0,0.0,455752.5625,0.0,403437.4375,0.0,0.0,0.0,0.0,957321.4375,550229.0,798307.1875,471156.71875,351884.125,687498.1875,584283.4375,851861.3125,780701.3125,557519.375,820657.8125 "831.59909 Da 912.31 s",15.21,830.59181,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1867169.5,0.0 "312.30246 Da 911.97 s",15.20,311.29519,"Arachidic acid","C20H40O2",0.0,681943.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,231178.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "790.55532 Da 912.04 s",15.20,789.54804,"2-amino-3-({hydroxy[2-[octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid","C42H80NO10P",336702.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,793023.0,327681.21875,0.0,1100302.375,0.0,0.0,0.0,0.0,0.0,0.0,1073438.625,0.0 "284.27181 Da 912.07 s",15.20,283.26453,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,2860500.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1842702.625,0.0,0.0,4216196.0,2883438.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1286170.0,0.0,0.0,0.0 "857.61321 Da 912.77 s",15.21,856.60593,"PC 18:0_20:3","C46H86NO8P",3881466.25,0.0,2658767.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1317623.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,862513.25,0.0,0.0,0.0,0.0,1460900.5,2281522.5,0.0,0.0,0.0,1194164.75,1217585.625,0.0,964629.8125 "638.51206 Da 913.50 s",15.22,637.50478,"3-hydroxy-C14 homoserine lactone","C18H33NO4",0.0,0.0,0.0,1098392.5,1009752.0625,739784.3125,922655.0,1156939.375,1528680.0,1294802.0,1475151.0,869815.875,985996.0,0.0,0.0,0.0,1274601.125,656508.6875,1655801.625,1522546.375,1384274.75,1320134.0,1051964.625,841704.875,1021729.375,834924.25,1422903.5,949716.875,890448.25,1041407.6875,1195220.625,1099005.25,1172715.875,1011195.5625,921805.1875,1234642.5 "270.21958 Da 913.32 s",15.22,269.21230,"Baicalein","C15H10O5",293153.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33436 Da 913.65 s",15.23,339.32708,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,430237.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,231828.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51100 Da 914.14 s",15.24,613.50372,"2-(3-(8-hydroxyoctyl)phenoxy)acetic acid","C16H24O4",0.0,1441131.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,293258.65625,643490.8125,154526.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "795.57718 Da 914.20 s",15.24,794.56990,"Docosatetraenoic acid","C22H36O2",0.0,970919.1875,429410.125,0.0,1330638.875,0.0,475533.1875,0.0,878537.9375,0.0,788209.4375,609202.5625,989074.4375,926114.8125,843947.5,1197688.875,0.0,530935.625,757912.5,940756.75,588127.4375,850687.8125,0.0,728871.5,0.0,742780.0,877897.4375,1066370.875,795123.625,769826.6875,0.0,914006.0,490497.21875,999211.8125,1071642.0,1105165.875 "354.34987 Da 914.29 s",15.24,353.34259,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,521684.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "811.53471 Da 914.55 s",15.24,810.52743,"PS 38:4","C44H78NO10P",0.0,494014.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,141255.453125,0.0,0.0,0.0,0.0,183083.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,230729.3125 "801.58902 Da 915.47 s",15.26,800.58174,"PS O-38:2","C44H84NO9P",0.0,0.0,0.0,0.0,976858.25,793904.8125,0.0,0.0,898499.5,0.0,701827.625,991526.1875,961789.375,0.0,0.0,804428.1875,0.0,0.0,1258295.125,853572.9375,761139.4375,0.0,0.0,0.0,833630.1875,1133130.75,0.0,0.0,0.0,922332.625,0.0,934102.6875,1011115.125,876162.8125,1133035.75,998810.875 "859.63021 Da 916.15 s",15.27,858.62293,"PC 18:1_20:1","C46H88NO8P",2541249.75,5204536.0,3048015.5,1226499.875,4565137.0,3695751.0,4900195.5,4171841.75,3522600.25,3450445.75,3383866.25,4165806.0,7822468.0,5403411.0,4467721.5,4270698.0,2240886.0,4687641.5,4804369.5,5179709.0,4359523.0,2930102.25,2401272.0,3655872.75,2302018.75,6748916.5,6571804.0,6421562.5,5737849.5,6102908.0,3875974.5,5316478.5,7376874.0,7044761.0,5667340.5,5705387.5 "928.62121 Da 915.86 s",15.26,927.61393,"Hexadecanedioic acid","C16H30O4",829154.625,1232806.375,774180.125,0.0,596917.6875,503193.6875,636742.75,962051.0625,915500.5,1051722.125,992664.9375,1149472.5,1567265.125,1311089.25,1151038.0,833940.4375,0.0,1309373.625,1046303.0625,1200812.875,1099310.25,890910.875,804103.25,1057476.5,571222.0,873879.0,1504034.0,1414209.75,1516360.875,1581422.0,998737.1875,1441194.25,1544429.75,1312642.625,1353881.0,1501546.875 "838.55465 Da 916.43 s",15.27,837.54737,"PS 40:5","C46H80NO10P",0.0,256919.84375,0.0,0.0,414562.84375,0.0,480830.4375,0.0,0.0,0.0,229330.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,578245.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "829.58334 Da 916.49 s",15.27,828.57607,"PC 36:3","C44H82NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,422624.125,0.0,429561.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "804.57081 Da 917.01 s",15.28,803.56354,"(2-{[3-(hexadecanoyloxy)-2-[octadeca-9.12-dienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium","C42H80NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,527806.4375,0.0,0.0,1048669.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,542975.25,0.0,519562.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "835.53555 Da 917.53 s",15.29,834.52827,"PS 40:6","C46H78NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,932345.5,989919.6875,0.0,0.0,0.0,961726.5625,0.0,0.0,0.0,1134813.25,0.0,0.0,803479.125,508288.9375,0.0,614513.25,0.0,0.0,0.0,0.0,0.0,759300.4375,0.0,359249.40625,0.0,0.0,498775.0625,814202.25 "807.59780 Da 920.08 s",15.33,806.59052,"PC 16:0_18:0","C42H84NO8P",0.0,0.0,0.0,1755947.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "843.63478 Da 919.53 s",15.33,842.62750,"PC O-38:3","C46H88NO7P",748115.0,755166.25,660540.8125,0.0,1299136.5,0.0,596456.0625,687462.9375,588297.3125,562790.625,545552.5,1433059.75,0.0,739363.5,739570.4375,1412042.25,817382.9375,798223.375,601483.8125,607933.5625,767637.9375,1202653.625,1063971.25,1237695.625,1037744.9375,1048058.8125,808991.8125,462204.875,0.0,1257868.375,760893.0,781151.25,620465.1875,844943.625,921028.625,517119.75 "396.39659 Da 918.03 s",15.30,395.38932,"Hexacosanoic acid","C26H52O2",0.0,0.0,1849577.75,1529813.625,1566823.5,1513340.875,1761769.125,1742063.5,1475032.875,1762169.5,1349543.75,1732876.625,1762929.625,0.0,1254803.25,1162173.0,1689759.625,1335089.375,1403578.625,1586648.25,1663679.125,1445324.375,1678630.875,1604080.25,1413857.625,1574000.125,949802.9375,1513397.75,1363898.625,1336356.5,1589960.375,1210960.625,1451412.625,1568264.875,1521798.5,1558365.875 "833.61453 Da 918.43 s",15.31,832.60725,"PC 16:0_20:1","C44H86NO8P",1.3179705E7,1.7796666E7,1.4724916E7,4803269.5,1.6804824E7,1.2860785E7,1.7131724E7,1.6344738E7,1.5386535E7,1.1251801E7,1.5323361E7,1.6515003E7,1.877699E7,1.6823832E7,1.7446072E7,1.5634984E7,8003198.5,1.7377188E7,2.4044298E7,1.8191668E7,2.0821152E7,1.2731866E7,9981855.0,1.5920347E7,9608966.0,2.1881136E7,1.7060098E7,2.262284E7,1.4379393E7,2.1516344E7,1.543121E7,1.4516027E7,2.173333E7,2.0192628E7,1.8885548E7,2.0890964E7 "807.59389 Da 918.71 s",15.31,806.58661,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",314716.0625,717532.0625,0.0,2292078.75,0.0,0.0,839998.9375,695795.6875,504714.59375,863843.8125,565434.3125,0.0,835588.125,730030.875,637324.0,0.0,333860.34375,515468.8125,1138069.625,1411836.75,945634.6875,779524.625,532537.75,977171.375,0.0,976105.8125,543731.875,319443.65625,1051049.375,1255950.75,949064.6875,0.0,1056765.75,850867.375,871273.125,941124.75 "901.60227 Da 918.61 s",15.31,900.59500,"PC(17:0/9-HODE)","C43H82NO9P",3242029.75,3116587.75,3039694.25,1390432.5,3233947.5,2904891.75,3359920.25,3170497.0,3481065.75,2345612.0,2810498.5,3521742.0,3124926.0,2856936.0,2691685.25,2871896.5,1776602.25,3305182.0,3772332.5,2894062.25,3793029.0,2863353.0,1871729.375,3320075.75,2175066.0,3680445.0,3462600.5,3809524.25,2806367.25,4391431.5,3037341.75,2541940.5,3740834.25,3584743.25,3731542.5,3602490.0 "831.59971 Da 920.13 s",15.34,830.59243,"PC 18:1/18:1","C44H84NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2858246.5,0.0,0.0,0.0,0.0,1678160.0,0.0 "769.56248 Da 918.72 s",15.31,768.55520,"allo-Threonine","C4H9NO3",0.0,1015647.25,0.0,0.0,0.0,0.0,1011377.375,0.0,716798.9375,0.0,0.0,554693.0,0.0,0.0,0.0,0.0,0.0,1223974.125,1421919.25,1272658.0,0.0,0.0,0.0,0.0,0.0,1259542.625,1265859.875,0.0,0.0,0.0,0.0,0.0,0.0,1226812.375,1329469.625,1824666.75 "368.36568 Da 918.18 s",15.30,367.35840,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1996454.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1810888.875,0.0,0.0,0.0,0.0,0.0,150976.453125 "285.27510 Da 921.69 s",15.36,284.26783,"Orotic acid","C5H4N2O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,224578.140625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "761.52134 Da 922.66 s",15.38,760.51407,"PS 16:0_18:1","C40H76NO10P",0.0,0.0,857042.625,0.0,0.0,299073.03125,942614.25,0.0,0.0,406701.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,450027.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "753.56647 Da 923.07 s",15.38,752.55920,"PE O-38:4","C43H80NO7P",0.0,515735.875,1022400.4375,0.0,0.0,0.0,798059.8125,0.0,0.0,0.0,938371.5625,1014278.625,1057165.625,698369.0625,683840.0625,756558.5,0.0,1020849.625,521744.96875,794905.0,896907.875,0.0,0.0,0.0,0.0,1041026.75,660420.75,698578.5625,898271.5625,1217012.0,782386.9375,979404.625,918152.5,1219850.0,1281862.5,991572.875 "771.57787 Da 925.20 s",15.42,770.57060,"Vaccenic acid","C18H34O2",0.0,587996.5,907333.25,0.0,960675.9375,0.0,0.0,0.0,0.0,0.0,0.0,957425.4375,1076086.125,798142.375,850963.75,0.0,0.0,0.0,1007796.625,750285.3125,926022.0,0.0,0.0,0.0,0.0,1034452.5625,985486.1875,1472876.875,733546.9375,710746.625,0.0,0.0,819606.375,1009131.0625,577998.625,1090634.75 "881.53656 Da 925.86 s",15.43,880.52928,"(2-{[3-(hexadecanoyloxy)-2-[octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium","C42H82NO8P",0.0,754148.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,692967.1875,623821.6875,0.0,719644.1875,0.0,0.0,0.0,447821.3125,771295.5625,1118700.5,0.0,0.0,0.0,0.0,849675.6875,992770.0,690390.625,852063.375,630988.125,0.0,0.0,715492.6875,0.0,1055546.5,455392.65625 "838.55404 Da 926.06 s",15.43,837.54677,"Hederacoside C","C59H96O26",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,385649.53125,0.0,0.0,0.0,0.0,495421.59375,0.0,0.0,0.0,460079.375,0.0,0.0,550673.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,348946.0625,0.0,0.0 "745.56163 Da 928.94 s",15.48,744.55435,"Elaidic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2308616.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "745.56197 Da 926.71 s",15.45,744.55469,"PE 18:0_18:1","C41H80NO8P",1848960.0,2958993.75,2182214.5,2650933.0,2450412.25,1976413.125,2687091.75,2227387.0,1983278.5,2235255.0,2680464.75,2660123.0,3348293.25,3277084.25,3019562.0,2329781.25,1425702.875,3400547.75,4152771.0,3831907.25,4080168.5,2466848.25,1547592.625,2723175.75,1420521.75,3559783.5,4269477.0,3372314.25,3308317.25,2990843.0,2308055.25,2671340.0,3921035.5,3060615.5,4322390.0,4004312.0 "813.54992 Da 926.70 s",15.44,812.54264,"Vaccenic acid","C18H34O2",394861.625,689423.6875,791437.6875,1049610.25,620556.25,409308.8125,631474.9375,819412.1875,471954.84375,433406.78125,566025.1875,575925.8125,582460.125,532844.1875,658094.75,811209.25,527121.4375,551582.4375,661605.375,655803.0625,738239.0625,804462.8125,457483.59375,649151.5,337207.09375,592059.875,789719.8125,522163.5,684090.8125,859184.5625,822025.5625,501726.3125,956127.9375,599708.9375,807601.3125,690682.625 "746.56471 Da 927.09 s",15.45,745.55744,"Petroselinic acid","C18H34O2",1577411.5,3728159.25,2122091.0,2526559.5,2861377.25,1874495.625,3363961.0,2507682.25,2367848.0,1967404.25,3434281.0,2966085.5,4420462.5,3632859.5,3458710.75,2327312.0,1444895.75,3474965.25,4985750.5,4028623.5,4457276.5,2442081.25,969506.875,2704682.5,1546181.25,4156529.5,4603460.5,3654747.25,3907406.75,3265724.5,2237745.75,3022298.5,4056036.25,3272267.5,4952795.0,4649354.0 "835.53474 Da 928.46 s",15.47,834.52746,"PS 18:0_22:6","C46H78NO10P",0.0,0.0,209469.265625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,990606.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34902 Da 928.96 s",15.48,353.34174,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,124261.359375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "806.58507 Da 927.15 s",15.45,805.57779,"(2-{[3-(hexadecanoyloxy)-2-[octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium","C42H82NO8P",0.0,0.0,0.0,514062.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "837.55031 Da 929.06 s",15.48,836.54303,"Hederacoside C","C59H96O26",0.0,0.0,0.0,0.0,0.0,0.0,0.0,366602.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,529852.0625,263760.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "789.55197 Da 929.00 s",15.48,788.54470,"PS 18:0_18:1","C42H80NO10P",0.0,0.0,1967355.75,0.0,639987.25,0.0,0.0,330369.4375,0.0,407329.5625,0.0,0.0,0.0,0.0,0.0,0.0,446208.125,2058575.375,0.0,0.0,0.0,440626.125,0.0,678294.125,0.0,0.0,766493.25,0.0,0.0,0.0,724723.625,786351.0,0.0,0.0,0.0,2307750.5 "791.60392 Da 930.98 s",15.52,790.59664,"PC O-34:1","C42H84NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,240032.015625,408804.6875,0.0,0.0,0.0,0.0,0.0,574111.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,622960.875,0.0,0.0,0.0,0.0,0.0,0.0 "369.36796 Da 932.14 s",15.54,368.36068,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,309455.625,378228.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "412.35457 Da 932.21 s",15.54,411.34730,"Corticosterone","C21H30O4",233761.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "817.61970 Da 933.71 s",15.56,816.61242,"PC O-36:2","C44H86NO7P",1117904.25,1163648.75,922105.9375,717699.5625,1198499.5,922745.625,958996.0625,845693.4375,1395708.625,770130.25,835617.25,1129149.5,1278288.125,1233101.75,923366.1875,1234289.875,1016482.1875,1014894.625,1092452.75,1117007.5,1326627.25,1322951.125,1064654.0,737361.875,659315.8125,1606702.25,1202205.375,1514613.25,1198984.0,1490174.75,1043794.3125,1173770.5,981449.0,1372904.375,1186064.125,1358955.875 "312.30242 Da 933.21 s",15.55,311.29514,"Methylgallate","C8H8O5",0.0,1316987.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,381736.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "790.55501 Da 933.41 s",15.56,789.54773,"2-amino-3-({hydroxy[2-[octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid","C42H80NO10P",0.0,0.0,722630.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,464999.65625,0.0,235223.9375,720737.3125,0.0,0.0,0.0,838916.125,0.0,388697.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,376049.15625,0.0,442982.125,0.0,0.0,0.0,0.0 "368.36540 Da 934.05 s",15.57,367.35812,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1129460.0,536518.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "298.25077 Da 935.42 s",15.59,297.24349,"Ricinoleic acid","C18H34O3",566436.25,649605.4375,535446.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "612.49569 Da 935.96 s",15.60,611.48841,"Neopterin","C9H11N5O4",0.0,0.0,0.0,0.0,0.0,251848.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,416889.8125,322432.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "819.63304 Da 936.96 s",15.62,818.62576,"PC O-36:1","C44H88NO7P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1296054.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.35008 Da 937.48 s",15.62,353.34280,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,414121.53125,273863.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "819.63528 Da 938.69 s",15.64,818.62800,"PC O-36:1","C44H88NO7P",1405102.75,1698624.5,1489056.25,1205556.375,1344149.625,1172960.875,1345850.75,1248677.75,1327177.0,1192048.75,1226656.125,1633844.375,1313508.625,2021254.25,1747768.125,1525854.0,1445448.75,1983823.875,1569140.875,1550069.375,1877118.75,1039249.75,933412.25,1077733.125,1165951.0,1557422.5,1615432.375,1641637.125,1662555.0,1659255.125,1193309.5,1154144.75,1172619.0,1285293.625,1397642.75,1763043.375 "761.51971 Da 939.84 s",15.66,760.51243,"PS 16:0_18:1","C40H76NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,202093.46875,0.0 "833.61029 Da 940.23 s",15.67,832.60301,"PC 36:1","C44H86NO8P",0.0,0.0,0.0,0.0,0.0,251582.84375,0.0,0.0,0.0,443898.71875,0.0,0.0,0.0,0.0,408319.9375,0.0,0.0,0.0,292505.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,643053.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "806.58632 Da 941.11 s",15.69,805.57904,"SM d38:0","C43H89N2O6P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,282750.4375,0.0 "614.51201 Da 941.50 s",15.69,613.50473,"Sumatriptan","C14H21N3O2S",0.0,0.0,1268513.125,0.0,863257.625,0.0,715193.3125,778696.1875,927401.0,308898.40625,717014.0,577296.8125,1001803.8125,0.0,0.0,1416507.75,0.0,0.0,0.0,786048.4375,832337.0,213392.640625,589915.8125,678007.9375,354497.625,1227479.5,1118789.5,0.0,0.0,772174.1875,873917.25,418972.75,745759.75,734820.375,779261.5,1016512.1875 "366.34952 Da 941.52 s",15.69,365.34224,"Nervonic acid","C24H46O2",548230.625,189722.234375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30209 Da 944.74 s",15.75,311.29481,"Methylgallate","C8H8O5",0.0,0.0,396888.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33387 Da 945.08 s",15.75,339.32659,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,434395.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "861.64641 Da 946.84 s",15.78,860.63914,"PC 38:1","C46H90NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1417211.25,0.0,0.0,0.0,0.0,720167.8125,864318.375,0.0,0.0,0.0,0.0,0.0,0.0,976916.9375,880528.875,798746.5,647488.0,993682.9375,674867.8125,0.0,756451.3125,1181394.0,1172725.125,1244201.75 "831.59850 Da 947.20 s",15.79,830.59123,"PC 36:2","C44H84NO8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,678565.4375,0.0,0.0,0.0,190192.359375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,783284.3125,0.0 "256.24004 Da 947.74 s",15.80,255.23277,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,2856800.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6481098.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5816218.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2887465.25,0.0 "396.39733 Da 948.32 s",15.81,395.39006,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,372300.90625,0.0,680812.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,551049.1875,0.0 "368.36522 Da 948.48 s",15.81,367.35794,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,586738.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,567552.6875,402399.59375 "270.21937 Da 951.06 s",15.85,269.21210,"Baicalein","C15H10O5",0.0,165079.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34887 Da 952.47 s",15.87,353.34159,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,455774.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "366.34941 Da 954.87 s",15.91,365.34213,"Nervonic acid","C24H46O2",0.0,266148.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34915 Da 958.82 s",15.98,353.34187,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,264911.34375,0.0,313426.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "835.53492 Da 959.26 s",15.99,834.52765,"PS 40:6","C46H78NO10P",0.0,0.0,0.0,0.0,386837.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,614876.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36511 Da 960.02 s",16.00,367.35784,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,2082402.5,1186405.375,1435977.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1761062.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1717596.625,1521106.375,0.0,0.0,0.0,0.0,0.0,0.0 "612.49607 Da 960.59 s",16.01,611.48879,"Pregnenolone sulfate","C21H32O5S",0.0,0.0,0.0,347695.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,615824.25,316592.21875,412966.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,943180.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33319 Da 961.36 s",16.02,339.32591,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,222262.4375,448305.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "789.55152 Da 961.43 s",16.02,788.54424,"PS 18:0_18:1","C42H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,902358.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "837.55184 Da 962.65 s",16.04,836.54456,"PS 18:0_22:5","C46H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,704693.0625,554567.8125,0.0,0.0,0.0,817308.0625,0.0,619919.375,0.0,0.0,0.0,0.0,280967.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,803937.1875,0.0,0.0 "787.53694 Da 964.37 s",16.07,786.52966,"PS 18:1/18:1","C42H78NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,373288.1875,0.0,442171.28125,0.0,339740.84375,0.0,274104.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,614745.3125,0.0,0.0,421475.34375,0.0,0.0,481865.34375,0.0,0.0,0.0,0.0 "396.39635 Da 965.05 s",16.08,395.38908,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,380494.28125,0.0,0.0,0.0,0.0,1540267.125,0.0,0.0,250912.515625,341144.25,1024789.25,0.0,0.0,493707.5 "641.53114 Da 965.22 s",16.09,640.52386,"Quercetin-3,4'-O-di-beta-glucoside","C27H30O17",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,352520.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "666.54121 Da 965.66 s",16.09,665.53393,"Pinoresinol-4-O-glucoside","C26H32O11",0.0,0.0,0.0,0.0,191914.359375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,716093.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25581 Da 965.97 s",16.10,269.24854,"2-[(2-hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid","C11H21NO4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,637599.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,344647.96875,0.0,0.0,129321.8515625,0.0,0.0,0.0,972175.375,921685.3125,0.0,213700.9375,0.0,0.0,0.0,0.0 "643.54522 Da 968.10 s",16.13,642.53794,"Uridine","C9H12N2O6",0.0,0.0,790544.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,248313.640625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,738559.375,533467.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51123 Da 968.57 s",16.14,613.50395,"Corticosterone","C21H30O4",0.0,0.0,1187914.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,331388.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,585156.6875,0.0,0.0,563023.3125,0.0,0.0,0.0,0.0,0.0,0.0 "835.53518 Da 969.93 s",16.17,834.52791,"PS 40:6","C46H78NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,362736.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,387566.78125,0.0,0.0,0.0,303585.9375,0.0,0.0,0.0,0.0,0.0,0.0 "368.36547 Da 970.11 s",16.17,367.35819,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,469606.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,415405.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "492.36662 Da 970.16 s",16.17,491.35934,"Astaxanthin","C40H52O4",0.0,0.0,0.0,311072.28125,0.0,210348.421875,656544.25,0.0,362742.84375,0.0,0.0,0.0,0.0,225714.265625,0.0,0.0,0.0,573717.9375,355029.1875,0.0,289221.28125,526859.625,0.0,648345.625,355861.84375,0.0,0.0,305975.34375,567291.5625,0.0,0.0,0.0,215387.6875,243456.265625,0.0,0.0 "789.55181 Da 972.46 s",16.21,788.54453,"PS 18:0_18:1","C42H80NO10P",0.0,595394.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,516975.03125,0.0,0.0,0.0,701481.25,0.0,0.0,0.0,0.0,556323.6875,424247.5,0.0,0.0,0.0,0.0,0.0,453926.96875,0.0,0.0,848666.25,0.0,680811.5625,0.0,0.0,0.0,0.0 "378.27974 Da 973.64 s",16.23,377.27246,"Dihydrozeatin","C10H15N5O",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,256385.75,0.0,0.0,0.0,0.0,0.0,0.0,1016071.5,0.0,0.0,0.0,73750.9140625,512301.375,152140.8125,0.0,0.0,0.0,0.0,632259.6875,255801.078125,128781.9375,219259.171875,0.0,0.0,0.0 "837.55165 Da 974.81 s",16.25,836.54437,"PS 40:5","C46H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,272573.21875,205248.328125,0.0,418414.6875,464417.9375,0.0,0.0,0.0,283212.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,352473.6875 "254.22477 Da 981.24 s",16.35,253.21750,"Palmitoleic acid","C16H30O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,645257.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1249384.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "789.55167 Da 983.41 s",16.39,788.54439,"PS 18:0_18:1","C42H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,446239.78125,502960.78125,0.0,0.0,0.0,0.0,942671.5625,817965.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,716327.0625,0.0,0.0,0.0,0.0,370289.53125,0.0,0.0,0.0 "368.36534 Da 983.91 s",16.40,367.35806,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2187792.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,201004.015625,0.0,0.0,2807203.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,277599.25,362873.65625 "667.54637 Da 984.70 s",16.41,666.53909,"MEF-Glu","C20H22N2O5",0.0,198461.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34915 Da 984.82 s",16.41,353.34187,"[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","C21H22O10",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,777523.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "638.51162 Da 987.52 s",16.46,637.50435,"Pyridoxal 5-phosphate","C8H10NO6P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,272911.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51113 Da 988.10 s",16.47,613.50385,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,277439.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,301598.5,0.0,286220.21875,0.0,0.0,0.0,0.0,0.0 "837.55130 Da 988.44 s",16.47,836.54403,"PS 18:0_22:5","C46H80NO10P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,285080.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39639 Da 990.42 s",16.51,395.38911,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,1298440.5,0.0,363438.9375,458782.09375,0.0,0.0,0.0,385342.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,350807.46875,256521.796875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,193593.765625,0.0,0.0 "378.27979 Da 1000.15 s",16.67,377.27251,"Corticosterone","C21H30O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,83376.9609375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,262333.5,0.0,803945.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "397.39973 Da 1000.90 s",16.68,396.39245,"Corticosterone","C21H30O4",0.0,562202.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "280.23997 Da 1001.82 s",16.70,279.23269,"Linoleic acid","C18H32O2",0.0,0.0,0.0,0.0,596445.75,579306.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,439677.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28651 Da 1002.17 s",16.70,309.27923,"10-HYDROXYDECANOATE","C10H20O3",0.0,0.0,320068.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36816 Da 1002.94 s",16.72,368.36089,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,403144.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "298.25128 Da 1003.12 s",16.72,297.24401,"Cinnamoylglycine","C11H11NO3",0.0,363799.5625,333216.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39608 Da 1005.49 s",16.76,395.38880,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,938636.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,366818.75,0.0,0.0,0.0,0.0,0.0,1789755.375,0.0,0.0,332779.84375,290951.96875,0.0,0.0,0.0,0.0,0.0,0.0 "340.33382 Da 1006.29 s",16.77,339.32654,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,136280.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.27960 Da 1009.62 s",16.83,377.27232,"2-(3-(8-hydroxyoctyl)phenoxy)acetic acid","C16H24O4",0.0,238127.875,0.0,0.0,0.0,0.0,0.0,116691.7890625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,190310.46875,0.0,0.0,436585.5,0.0,0.0,0.0,242199.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34946 Da 1013.34 s",16.89,353.34218,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,369347.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,220201.109375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51052 Da 1016.21 s",16.94,613.50325,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,171922.921875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,280984.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28651 Da 1016.64 s",16.94,309.27924,"Eicosenoic acid","C20H38O2",0.0,609875.25,306672.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.27935 Da 1018.77 s",16.98,377.27207,"5-[1,2,4a-trimethyl-5-(propanoyloxymethyl)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid","C23H38O4",0.0,0.0,476164.75,110680.2578125,0.0,321666.8125,233853.96875,362072.625,0.0,486003.59375,0.0,0.0,0.0,0.0,0.0,392598.46875,340571.6875,0.0,256792.046875,0.0,178219.046875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,322666.03125,0.0,650208.5,0.0,0.0,0.0,0.0,0.0 "340.33395 Da 1019.43 s",16.99,339.32667,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,372404.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,244534.578125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39668 Da 1019.83 s",17.00,395.38940,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,337062.625,295910.21875,173830.078125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "670.57418 Da 1024.40 s",17.07,669.56690,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,551288.8125,187238.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25570 Da 1025.13 s",17.09,281.24843,"Imipramine","C19H24N2",0.0,0.0,3907471.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2934221.0,0.0,2532220.25,2463096.0,0.0,0.0,0.0,0.0,0.0,3952310.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2087033.5 "378.27981 Da 1031.39 s",17.19,377.27253,"2-(3-(8-hydroxyoctyl)phenoxy)acetic acid","C16H24O4",699039.0625,0.0,0.0,0.0,613305.3125,0.0,360665.25,263569.46875,0.0,0.0,0.0,0.0,561714.8125,256750.71875,421022.625,375484.5,0.0,0.0,0.0,132890.109375,0.0,0.0,253378.5625,0.0,0.0,0.0,0.0,305732.96875,0.0,201938.0,0.0,234584.921875,0.0,266317.625,0.0,0.0 "268.23992 Da 1035.76 s",17.26,267.23264,"Corticosterone","C21H30O4",0.0,0.0,0.0,0.0,0.0,574201.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1298826.75,611118.8125,611905.5,253403.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,409753.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "384.32367 Da 1037.92 s",17.30,383.31639,"Palmitoylcarnitine cation","C23H45NO4",454919.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39639 Da 1038.60 s",17.31,395.38912,"Hexacosanoic acid","C26H52O2",0.0,0.0,1567141.0,0.0,1193732.0,0.0,0.0,222067.0,225912.0625,0.0,0.0,0.0,0.0,0.0,1207677.625,0.0,0.0,0.0,524834.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,467694.1875,0.0,417809.03125,0.0,197166.3125,0.0,0.0,0.0 "614.51169 Da 1038.70 s",17.31,613.50441,"Elaidic acid","C18H34O2",0.0,0.0,0.0,422462.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,89301.0234375,272713.40625,459331.96875,0.0,0.0,0.0,0.0,0.0 "338.31795 Da 1039.52 s",17.33,337.31068,"Erucic acid","C22H42O2",140217.203125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.21948 Da 1041.44 s",17.36,269.21220,"Baicalein","C15H10O5",264815.78125,304343.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "338.31846 Da 1043.36 s",17.39,337.31119,"Erucic acid","C22H42O2",274989.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30208 Da 1043.65 s",17.39,311.29481,"Methylgallate","C8H8O5",0.0,0.0,418834.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,236900.109375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25574 Da 1047.98 s",17.47,269.24846,"Heptadecanoic acid","C17H34O2",0.0,0.0,0.0,709723.75,0.0,0.0,0.0,1161142.375,433737.53125,0.0,0.0,0.0,0.0,2017860.125,0.0,0.0,585890.8125,0.0,0.0,442436.09375,0.0,0.0,0.0,0.0,139661.046875,0.0,0.0,0.0,462763.8125,0.0,891787.125,481477.625,647448.0625,373877.0625,0.0,0.0 "398.33896 Da 1050.01 s",17.50,397.33169,"Hexacosanoic acid","C26H52O2",0.0,0.0,360464.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "670.57441 Da 1050.41 s",17.51,669.56714,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",866822.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36521 Da 1050.47 s",17.51,367.35793,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,2055682.125,1156257.125,0.0,0.0,0.0,0.0,0.0,292018.03125,343716.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,677752.6875,0.0,455219.53125,479364.53125,0.0,0.0,0.0,1601597.5,0.0,0.0,1186328.25,0.0,573048.8125,394846.78125,299737.9375 "378.27944 Da 1051.48 s",17.52,377.27216,"Salbutamol","C13H21NO3",0.0,0.0,426109.25,238435.9375,0.0,0.0,163803.375,0.0,0.0,313630.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,453881.0,0.0,0.0,0.0,599071.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,384010.21875,581352.5 "384.32323 Da 1054.21 s",17.57,383.31595,"(6E,10Z,14E)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid","C20H26O4",0.0,260961.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33374 Da 1057.61 s",17.63,339.32646,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,406197.90625,312214.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30242 Da 1058.95 s",17.65,311.29514,"Arachidic acid","C20H40O2",0.0,0.0,315286.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "492.36635 Da 1061.34 s",17.69,491.35907,"Adrenosterone","C19H24O3",405816.84375,0.0,327678.46875,481904.09375,0.0,278873.40625,0.0,244302.890625,0.0,0.0,347942.46875,416426.0,0.0,210847.078125,0.0,794177.125,0.0,231140.734375,347037.53125,841147.625,0.0,0.0,0.0,0.0,0.0,0.0,436945.40625,0.0,0.0,645003.4375,0.0,273263.1875,0.0,0.0,0.0,0.0 "340.33359 Da 1063.01 s",17.72,339.32631,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,468649.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "638.51144 Da 1062.22 s",17.70,637.50416,"(1R,2E,8S,10R,11S)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0?,?]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate","C20H26O8",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,261311.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51002 Da 1062.35 s",17.71,613.50274,"Sphingosine","C18H37NO2",0.0,0.0,0.0,0.0,475614.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,172943.265625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "280.23981 Da 1064.22 s",17.74,279.23253,"Linoleic acid","C18H32O2",0.0,0.0,0.0,71030.6484375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,324162.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,58531.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.27964 Da 1067.26 s",17.79,377.27236,"Dihydrozeatin","C10H15N5O",371285.8125,0.0,268897.28125,380385.96875,0.0,731456.625,0.0,282926.78125,270976.09375,0.0,0.0,223266.390625,706919.6875,289201.28125,0.0,120797.640625,185922.6875,0.0,736715.5625,337259.9375,0.0,411434.03125,260681.90625,0.0,0.0,0.0,311214.28125,0.0,313670.21875,0.0,0.0,295206.96875,0.0,0.0,0.0,1100466.875 "283.25914 Da 1067.30 s",17.79,282.25186,"(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol","C30H42O12",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,410967.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,303232.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "268.24014 Da 1068.21 s",17.80,267.23287,"Omeprazole","C17H19N3O3S",0.0,0.0,0.0,0.0,731693.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,867453.5,0.0,359496.28125,315239.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1058367.5,439815.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.22001 Da 1068.66 s",17.81,269.21274,"Baicalein","C15H10O5",295448.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "666.54253 Da 1070.22 s",17.84,665.53525,"Sphingomyelin d18:2-C23:0","C46H91N2O6P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,356941.375,557218.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36836 Da 1071.49 s",17.86,368.36108,"Docosyl acetate","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,116994.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28707 Da 1072.65 s",17.88,309.27979,"Corticosterone","C21H30O4",0.0,578263.0625,344032.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39628 Da 1072.97 s",17.88,395.38901,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,288560.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,881999.5625,817497.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "338.31795 Da 1073.47 s",17.89,337.31067,"Erucic acid","C22H42O2",184553.953125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36520 Da 1075.60 s",17.93,367.35793,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,1407948.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1741401.125,0.0,0.0,0.0,0.0,0.0,507350.5625,0.0,595462.3125,0.0,0.0,1551584.25,0.0,0.0,0.0,1034008.625,0.0,0.0,688827.5625,304269.625 "312.30247 Da 1076.50 s",17.94,311.29519,"Eicosanoic acid","C20H40O2",0.0,1340581.875,426065.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34925 Da 1076.57 s",17.94,353.34197,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,257821.453125,331244.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39673 Da 1077.40 s",17.96,395.38946,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,267898.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1767412.5,0.0,0.0,0.0,920988.3125,381697.875,0.0,0.0,0.0,0.0,0.0 "397.39956 Da 1078.02 s",17.97,396.39229,"Hexacosanoic acid","C26H52O2",0.0,330061.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36847 Da 1078.16 s",17.97,368.36119,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1156778.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,266938.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "642.54187 Da 1079.85 s",18.00,641.53459,"Stearic acid","C18H36O2",0.0,0.0,0.0,211278.59375,472419.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "492.36683 Da 1084.59 s",18.08,491.35955,"NCGC00380204-01_C26H38O6_Androsta-11,15-diene-14-carboxylic acid, 3,15,19-trihydroxy-4,4,8,12,16-pentamethyl-17-oxo-, methyl ester","C26H38O6",0.0,0.0,0.0,415349.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,665000.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,403772.84375,371443.46875,423149.53125,0.0,0.0 "340.33377 Da 1087.69 s",18.13,339.32649,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,195487.078125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.22010 Da 1089.48 s",18.16,269.21282,"Baicalein","C15H10O5",335585.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36551 Da 1089.76 s",18.16,367.35824,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,586805.375,0.0,0.0,3727204.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,469302.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,492274.4375,293321.75,0.0,352994.03125 "614.51112 Da 1090.38 s",18.17,613.50385,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,342381.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,786308.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25590 Da 1090.52 s",18.18,269.24863,"Estrone","C18H22O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,485342.1875,0.0,903249.6875,0.0,0.0,0.0,0.0,682188.6875,0.0,0.0,0.0,535936.375,673792.125,0.0,0.0,0.0,0.0,0.0,0.0,843004.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "641.53093 Da 1091.47 s",18.19,640.52365,"Octadecanedioic acid","C18H34O4",0.0,700928.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,235586.171875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.27977 Da 1093.10 s",18.22,377.27249,"2-(3-(8-hydroxyoctyl)phenoxy)acetic acid","C16H24O4",0.0,0.0,0.0,0.0,0.0,591274.5,0.0,93427.4375,0.0,568098.375,0.0,0.0,0.0,442095.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,385599.15625,390544.90625,0.0,323550.90625,0.0,895304.5,0.0,300911.625,0.0,0.0,176995.40625,281875.6875,0.0,0.0,0.0 "492.36677 Da 1094.05 s",18.23,491.35949,"methoxy-myricetin-3-O-hexoside","C22H22O13",0.0,0.0,0.0,225405.703125,0.0,0.0,0.0,0.0,340298.25,0.0,0.0,432488.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,210538.03125,918148.3125,0.0,0.0,144920.25,0.0,0.0,0.0 "368.36514 Da 1103.50 s",18.39,367.35787,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,521525.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,529557.0625,0.0,0.0,0.0,1539907.625,0.0,0.0,1598554.375,1484186.75,1063452.375,0.0,0.0,488922.78125,0.0 "270.21915 Da 1104.53 s",18.41,269.21188,"Baicalein","C15H10O5",433865.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39631 Da 1105.35 s",18.42,395.38903,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,288394.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,457664.03125,1103626.5,0.0,0.0,0.0,0.0,0.0,0.0 "410.41184 Da 1106.46 s",18.44,409.40456,"Squalene","C30H50",550949.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.27960 Da 1107.33 s",18.46,377.27232,"Dihydrozeatin","C10H15N5O",0.0,0.0,0.0,0.0,0.0,374599.4375,0.0,0.0,0.0,987558.625,0.0,426013.03125,0.0,0.0,320613.1875,290153.65625,0.0,215612.546875,0.0,0.0,699626.6875,630789.125,402516.5625,0.0,0.0,0.0,699002.6875,0.0,0.0,797265.4375,271057.8125,0.0,0.0,0.0,0.0,307684.375 "967.00780 Da 1107.69 s",18.46,966.00053,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",924100.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,287839.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.37004 Da 1109.66 s",18.49,425.36276,"Etiocholanolone","C19H30O2",328991.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33386 Da 1110.54 s",18.51,339.32658,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,604303.5625,325814.65625,377942.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.22034 Da 1114.15 s",18.57,269.21307,"Baicalein","C15H10O5",293750.34375,0.0,92520.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.27957 Da 1121.45 s",18.69,377.27230,"1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate","C14H21N3O4",731855.875,545069.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,269349.5,0.0,211009.046875,0.0,327928.59375,0.0,0.0,0.0,0.0,375248.03125,0.0,0.0,459132.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,660645.625 "640.52726 Da 1122.86 s",18.71,639.51998,"Gibberellin A3","C19H22O6",0.0,0.0,0.0,0.0,608231.25,406449.4375,0.0,299678.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,266063.65625,0.0,0.0,0.0,0.0,0.0,0.0 "368.36530 Da 1123.06 s",18.72,367.35802,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,511002.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1676969.75,0.0,0.0,0.0,0.0,0.0,411475.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,357673.625,458469.65625 "398.33884 Da 1123.15 s",18.72,397.33156,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,248233.390625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,373555.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34982 Da 1123.55 s",18.73,353.34255,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,335362.625,687122.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39628 Da 1126.42 s",18.77,395.38901,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,588544.0625,379038.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,588220.4375,473443.84375,0.0,0.0,0.0,0.0,0.0 "280.24009 Da 1126.47 s",18.77,279.23282,"Ser","C3H7NO3",0.0,0.0,0.0,380969.4375,300238.75,0.0,0.0,0.0,190271.984375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,224936.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,187464.828125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "967.00787 Da 1127.02 s",18.78,966.00059,"3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-[(2S,3R,4S,5S,6R)-6-[3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]propanoic acid","C42H54O25",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,129642.7109375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.21943 Da 1127.28 s",18.79,269.21216,"Baicalein","C15H10O5",339129.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41203 Da 1127.28 s",18.79,409.40475,"Squalene","C30H50",390568.84375,0.0,684598.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.36998 Da 1127.60 s",18.79,425.36270,"10-Hydroxydecanoic acid","C10H20O3",250685.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "298.25071 Da 1127.92 s",18.80,297.24344,"Ricinoleic acid","C18H34O3",514035.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33356 Da 1129.33 s",18.82,339.32629,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,410007.15625,390772.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41167 Da 1132.40 s",18.87,409.40439,"Squalene","C30H50",488918.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1036986.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.27991 Da 1134.74 s",18.91,377.27263,"1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate","C14H21N3O4",0.0,551521.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,898208.0625,0.0,0.0,448887.25,0.0,0.0,0.0,0.0,596857.25,0.0,0.0,321105.40625,237058.90625,0.0,396728.5,230599.6875,403199.5625,0.0,344899.59375,209102.015625,0.0,0.0,247048.578125,784699.4375,0.0,0.0 "426.37037 Da 1138.36 s",18.97,425.36309,"Etiocholanolone","C19H30O2",0.0,217031.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "338.31789 Da 1138.49 s",18.97,337.31062,"Erucic acid","C22H42O2",259712.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34929 Da 1139.42 s",18.99,353.34202,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,296851.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25603 Da 1141.76 s",19.03,269.24875,"Heptadecanoic acid","C17H34O2",0.0,0.0,0.0,0.0,0.0,480580.96875,0.0,1013009.4375,0.0,0.0,0.0,722028.125,0.0,1985721.625,0.0,0.0,1118916.25,0.0,0.0,736749.4375,698073.3125,351939.09375,0.0,0.0,0.0,0.0,0.0,0.0,444480.625,0.0,0.0,0.0,456616.4375,841058.375,0.0,0.0 "396.39630 Da 1142.16 s",19.04,395.38903,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,302943.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1469661.0,759886.3125,664610.4375,0.0,0.0,0.0,0.0,0.0,0.0 "257.24341 Da 1142.83 s",19.05,256.23613,"Phosphatidylcholine 16:0-22:6","C46H80NO8P",0.0,0.0,0.0,330213.65625,145332.828125,134749.484375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1422990.875,748968.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27134 Da 1144.22 s",19.07,283.26406,"Stearic acid","C18H36O2",0.0,6636450.0,5717855.0,0.0,0.0,0.0,0.0,0.0,2431038.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3937965.25,0.0,1979255.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "384.32344 Da 1144.90 s",19.08,383.31616,"(6E,10Z,14E)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid","C20H26O4",486151.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36557 Da 1145.53 s",19.09,367.35830,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,488437.65625,0.0,0.0,0.0,0.0,0.0,1839727.75,0.0,0.0,0.0,0.0,0.0,0.0,493947.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,157437.15625 "270.21997 Da 1145.54 s",19.09,269.21269,"Baicalein","C15H10O5",340521.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.27983 Da 1145.78 s",19.10,377.27255,"Dihydrozeatin","C10H15N5O",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,181057.34375,584937.75,185915.078125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,372539.5,0.0,0.0,0.0,295932.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34937 Da 1149.48 s",19.16,353.34210,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,510331.25,574189.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,606749.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33386 Da 1151.59 s",19.19,339.32658,"Behenic acid","C22H44O2",1339107.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,362591.0625,182721.984375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41210 Da 1152.17 s",19.20,409.40482,"Squalene","C30H50",0.0,0.0,154058.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39669 Da 1152.51 s",19.21,395.38941,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,148665.21875,128955.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,356567.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,610051.75,456044.8125,0.0,0.0,0.0,0.0 "268.23992 Da 1154.85 s",19.25,267.23264,"3-Oxocholic acid","C24H38O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,219167.59375,0.0,0.0,0.0,0.0,0.0,0.0 "284.27151 Da 1157.49 s",19.29,283.26424,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1180339.5,2908435.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2611413.0,0.0,0.0,0.0,0.0,0.0 "369.36835 Da 1160.08 s",19.33,368.36107,"2-hydroxy-4-methoxy-3,5-bis(3-methylbut-2-enyl)-6-(2-phenylethyl)benzoic acid","C26H32O4",0.0,0.0,1327806.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,439388.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36526 Da 1160.73 s",19.35,367.35798,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,2091688.75,0.0,0.0,0.0,0.0,0.0,434656.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,408356.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "257.24383 Da 1166.07 s",19.43,256.23655,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,658431.3125,0.0,690681.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,858129.25,496798.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51081 Da 1166.33 s",19.44,613.50353,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,643232.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,381193.46875,463221.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,151042.765625,0.0,0.0,0.0,0.0,0.0,0.0 "354.34902 Da 1166.46 s",19.44,353.34175,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,879278.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,222116.03125,354671.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33318 Da 1166.78 s",19.45,339.32590,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,430558.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39649 Da 1166.79 s",19.45,395.38922,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,1199920.875,0.0,291426.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,839648.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,959353.125,0.0,0.0,0.0,0.0,0.0 "282.25602 Da 1168.51 s",19.48,281.24874,"Petroselinic acid","C18H34O2",0.0,0.0,0.0,0.0,3573998.5,0.0,0.0,0.0,0.0,0.0,0.0,1435269.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4239383.5,0.0,3040225.0,0.0,2660913.75,0.0,0.0,0.0,0.0 "368.36538 Da 1173.54 s",19.56,367.35810,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,1335025.0,0.0,0.0,0.0,0.0,0.0,354703.5625,0.0,3774138.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1601113.875,0.0,1480107.625,0.0,0.0,0.0,0.0,737677.0625 "378.27986 Da 1179.38 s",19.66,377.27258,"2-(3-(8-hydroxyoctyl)phenoxy)acetic acid","C16H24O4",0.0,621318.5625,205894.203125,278932.15625,389921.15625,0.0,384656.40625,0.0,192735.484375,0.0,454979.28125,0.0,0.0,0.0,0.0,212093.6875,0.0,0.0,0.0,0.0,229825.46875,0.0,295106.875,338536.0625,102699.765625,0.0,0.0,0.0,0.0,0.0,264157.84375,0.0,0.0,0.0,283468.25,0.0 "614.51207 Da 1180.02 s",19.67,613.50479,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,62073.99609375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,111698.484375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30235 Da 1182.03 s",19.70,311.29507,"Methylgallate","C8H8O5",0.0,0.0,467711.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "280.24017 Da 1186.36 s",19.77,279.23289,"Epinephrine","C9H13NO3",0.0,0.0,0.0,0.0,183153.796875,0.0,248015.953125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,190685.734375,0.0,249526.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36525 Da 1188.37 s",19.81,367.35797,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2107474.25,1826715.5,0.0,1656261.625,1218767.125,0.0,1139643.75,562115.25,0.0,0.0,0.0,0.0,0.0,0.0,1601434.5,0.0,0.0,0.0,0.0,0.0,0.0 "396.39648 Da 1189.19 s",19.82,395.38920,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,176287.109375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,410801.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1494869.0,0.0,0.0,529231.5625,0.0,0.0,0.0,0.0,0.0 "614.51197 Da 1190.67 s",19.84,613.50469,"Sphingosine","C18H37NO2",0.0,0.0,1121956.0,0.0,816379.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,362016.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "643.54653 Da 1191.42 s",19.86,642.53926,"(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0?,??.0?,?.0??,??]icosane-5,15-dicarboxylic acid","C30H46O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,158127.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24019 Da 1197.98 s",19.97,255.23291,"4,6-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one","C15H24O4",0.0,0.0,0.0,0.0,0.0,2353684.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6310622.5,0.0,0.0,0.0,0.0,3566105.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36529 Da 1199.60 s",19.99,367.35801,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,534245.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,525819.625,351217.34375,455166.75,0.0,0.0,0.0,0.0,0.0,0.0,664984.9375,0.0,0.0,0.0,612831.375 "340.33368 Da 1202.94 s",20.05,339.32640,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,610870.375,478965.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "285.27451 Da 1205.45 s",20.09,284.26723,"Stearic acid","C18H36O2",0.0,830447.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,864187.9375,325972.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1056595.75,433062.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30212 Da 1208.01 s",20.13,311.29484,"Methylgallate","C8H8O5",0.0,0.0,466573.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,262353.8125,358883.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34950 Da 1209.84 s",20.16,353.34223,"Tricosanoic acid","C23H46O2",1416497.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,676058.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,420558.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "280.23984 Da 1209.92 s",20.17,279.23256,"Linoleic acid","C18H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1395748.125,0.0,0.0,81294.4140625,0.0,364768.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,336032.46875,0.0,0.0,0.0,0.0,0.0,0.0 "378.27940 Da 1212.59 s",20.21,377.27213,"1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate","C14H21N3O4",296882.46875,0.0,0.0,114108.0625,0.0,0.0,745000.0,0.0,0.0,703824.6875,0.0,0.0,0.0,0.0,245039.640625,229430.625,1144478.5,0.0,304174.90625,0.0,0.0,0.0,0.0,0.0,769265.6875,0.0,335243.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39636 Da 1213.14 s",20.22,395.38908,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,712278.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,430260.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,391251.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36538 Da 1218.64 s",20.31,367.35810,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,383522.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,435949.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,648975.9375,0.0,0.0,0.0 "340.33311 Da 1225.34 s",20.42,339.32583,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,419519.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51157 Da 1226.24 s",20.44,613.50430,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,596507.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,102287.9375,0.0,299989.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,137802.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34947 Da 1227.40 s",20.46,353.34219,"Tricosanoic acid","C23H46O2",1366595.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.27963 Da 1228.26 s",20.47,377.27236,"(6E,10Z,14E)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid","C20H26O4",0.0,147330.734375,0.0,0.0,521460.53125,0.0,0.0,0.0,0.0,0.0,346759.34375,223764.703125,0.0,0.0,0.0,0.0,153545.03125,0.0,0.0,0.0,0.0,0.0,52024.82421875,472476.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,554312.625,0.0,0.0,182078.6875 "368.36463 Da 1228.71 s",20.48,367.35736,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,356691.25,0.0,0.0,0.0,0.0,0.0,1452884.75,0.0,0.0,0.0,526218.8125,0.0 "612.49637 Da 1230.80 s",20.51,611.48909,"Palmitoleic acid","C16H30O2",0.0,1325178.0,0.0,682607.25,181508.171875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,476524.9375,495547.53125,0.0,356495.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "626.51180 Da 1231.52 s",20.53,625.50452,"2-(3-(8-hydroxyoctyl)phenoxy)acetic acid","C16H24O4",0.0,1025310.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,246661.828125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39573 Da 1233.53 s",20.56,395.38846,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,489936.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,517489.875,362905.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "671.57825 Da 1236.66 s",20.61,670.57097,"Boscalid","C18H12Cl2N2O",110439.90625,350300.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33928 Da 1237.35 s",20.62,397.33200,"Ethyldodecanoate","C14H28O2",0.0,527657.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "298.25041 Da 1238.31 s",20.64,297.24314,"Methylgallate","C8H8O5",0.0,195078.671875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36538 Da 1238.93 s",20.65,367.35810,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,482500.6875,0.0,436280.375,0.0,0.0,0.0,0.0,1751389.125,0.0,0.0,0.0,0.0,0.0,392914.1875,0.0,0.0,0.0,0.0,0.0,0.0,1460976.5,0.0,0.0,0.0,0.0,0.0,0.0 "340.33406 Da 1242.84 s",20.71,339.32678,"Methylgallate","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,634606.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34936 Da 1243.22 s",20.72,353.34208,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,391648.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,638341.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.27957 Da 1243.86 s",20.73,377.27229,"Salbutamol","C13H21NO3",420527.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,303053.15625,0.0,0.0,430696.875,0.0,289800.4375,0.0,170460.453125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,256196.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33370 Da 1246.66 s",20.78,339.32643,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,507479.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25563 Da 1250.30 s",20.84,269.24836,"Estrone","C18H22O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,519117.875,0.0,0.0,0.0,0.0,1019170.0,0.0,0.0,0.0,476220.40625,475573.71875,0.0,0.0,636063.125,308498.1875,0.0,0.0,0.0,0.0,0.0,0.0,535903.375,1112694.5,0.0,994953.4375,0.0,0.0,0.0 "282.25595 Da 1251.67 s",20.86,281.24868,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,2047658.75,0.0,0.0,2680795.75,0.0,1438030.5,0.0,2001491.0,0.0,0.0,3278122.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2331577.0,0.0,0.0,0.0,0.0,3898770.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2074370.375 "368.36486 Da 1252.33 s",20.87,367.35759,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,894196.875,0.0,0.0,1082163.0,362874.90625 "626.51211 Da 1258.39 s",20.97,625.50484,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,597646.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,608107.9375,239871.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28693 Da 1259.71 s",21.00,309.27966,"Eicosenoic acid","C20H38O2",0.0,513156.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "671.57688 Da 1261.25 s",21.02,670.56961,"Dopamine","C8H11NO2",201291.484375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39651 Da 1262.06 s",21.03,395.38923,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,97135.1171875,487763.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,508988.09375,0.0,363202.71875,0.0,0.0,0.0,0.0,0.0,0.0,1416896.375,775787.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36522 Da 1262.29 s",21.04,367.35795,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,1398863.625,0.0,0.0,259622.71875,436567.6875,522928.375,0.0,0.0,0.0,1968915.875,0.0,0.0,0.0,1214621.25,0.0,981599.3125,0.0,0.0,237438.21875,0.0,0.0,0.0,1572379.125,0.0,0.0,0.0,0.0,0.0,0.0,477715.9375 "378.28019 Da 1264.65 s",21.08,377.27292,"Dihydrozeatin","C10H15N5O",0.0,0.0,0.0,0.0,0.0,227311.734375,0.0,247659.796875,148900.015625,569832.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,440855.78125,150220.921875,414958.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,528078.3125,795067.125,0.0,675891.4375,236411.171875 "242.22415 Da 1267.05 s",21.12,241.21688,"Pentadecanoic acid","C15H30O2",0.0,0.0,0.0,0.0,0.0,470837.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,146088.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "492.36649 Da 1271.05 s",21.18,491.35921,"Docosatetraenoic acid","C22H36O2",0.0,0.0,0.0,102081.3203125,259701.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,270092.40625,199512.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,288046.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,197308.890625,572241.625,0.0,179575.078125,0.0 "340.33371 Da 1275.39 s",21.26,339.32643,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,427996.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,203970.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36524 Da 1277.36 s",21.29,367.35796,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1091226.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,623419.5,0.0,394083.25,0.0,0.0,0.0,0.0,1373043.375,0.0,0.0,1370880.75,0.0,0.0,0.0,216451.40625,0.0 "284.27167 Da 1277.50 s",21.29,283.26439,"Sphingosine","C18H37NO2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2238410.25,2099763.25,0.0,0.0,1189929.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3815464.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25551 Da 1283.94 s",21.40,269.24824,"Estrone","C18H22O2",0.0,1450578.625,0.0,0.0,0.0,0.0,1027618.1875,422797.59375,0.0,579164.1875,0.0,825429.5,0.0,0.0,0.0,0.0,609415.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,346345.09375,0.0,0.0,304746.34375,0.0,0.0,0.0 "340.33360 Da 1288.69 s",21.48,339.32633,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,324547.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,358104.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36504 Da 1290.73 s",21.51,367.35777,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,1933742.625,0.0,1350913.125,0.0,0.0,0.0,0.0,779343.9375,0.0,0.0,2139132.5,0.0,0.0,0.0,0.0,620599.1875,0.0,0.0,315228.59375,431144.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,367341.5 "412.35467 Da 1291.97 s",21.53,411.34739,"Corticosterone","C21H30O4",0.0,77282.046875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.27913 Da 1292.67 s",21.54,377.27185,"1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1',2'-f]pyrazin-10a-yl)propan-2-yl carbamate","C14H21N3O4",178907.0,0.0,0.0,133465.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,74715.1015625,607980.375,0.0,0.0,0.0,0.0,0.0,289009.25,389967.5,323896.5,0.0,0.0,0.0,0.0,0.0,0.0,813422.75,0.0,0.0,257283.328125,0.0,329818.90625,0.0 "242.22422 Da 1292.82 s",21.55,241.21695,"Lanatoside C","C49H76O20",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,717621.25,0.0,654093.0,627642.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34950 Da 1294.10 s",21.57,353.34222,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,593804.5625,305209.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,428726.96875,747286.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34837 Da 1302.38 s",21.71,353.34109,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,427964.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,587168.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36543 Da 1300.94 s",21.68,367.35815,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1787395.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,194741.046875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39658 Da 1302.10 s",21.70,395.38931,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,698785.0625,0.0,989489.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,567086.25,686385.6875,0.0,593699.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,457168.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.27948 Da 1304.63 s",21.74,377.27220,"Salbutamol","C13H21NO3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,279947.375,0.0,0.0,0.0,0.0,0.0,0.0,109888.671875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24008 Da 1305.29 s",21.75,255.23280,"4,6-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one","C15H24O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3129951.5,0.0,5173897.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "397.40085 Da 1311.44 s",21.86,396.39357,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,251064.734375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36536 Da 1312.44 s",21.87,367.35808,"Lignoceric acid","C24H48O2",0.0,3733247.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,462537.90625,0.0,0.0,3750250.25,0.0,0.0,0.0,1607869.875,0.0,0.0,583710.8125,348997.40625,160373.0,0.0,0.0,0.0,0.0,1493246.0,0.0,0.0,0.0,0.0,0.0,279864.9375,249094.96875 "282.25594 Da 1312.49 s",21.87,281.24866,"Imipramine","C19H24N2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2276027.0,0.0,0.0,0.0,0.0,1822452.5,0.0,3101988.5,1398064.75,0.0,1345813.875,0.0,0.0,2170019.0,0.0,0.0,3972809.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51124 Da 1315.30 s",21.92,613.50396,"Elaidic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,251950.015625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,295632.625,463898.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39685 Da 1317.02 s",21.95,395.38958,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1597932.375,0.0,0.0,497785.34375,0.0,281557.65625,0.0,0.0,0.0,0.0,0.0 "589.90543 Da 1317.50 s",21.96,588.89815,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,393312.34375,0.0,0.0,670779.1875,890294.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1017108.5,869562.25,928639.625,0.0,0.0,0.0,0.0,411066.34375,0.0,676102.125,0.0,0.0,0.0,0.0,0.0,461839.71875 "492.36644 Da 1320.20 s",22.00,491.35916,"Docosatetraenoic acid","C22H36O2",0.0,0.0,0.0,0.0,133545.390625,0.0,322986.125,0.0,0.0,0.0,0.0,439973.90625,0.0,0.0,0.0,293234.9375,0.0,0.0,0.0,0.0,0.0,0.0,264939.5625,524144.28125,411271.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,308640.03125 "256.24035 Da 1320.79 s",22.01,255.23307,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,4774655.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3947846.5,0.0,0.0,0.0,0.0,1950974.75,2782654.75,0.0 "368.36538 Da 1322.44 s",22.04,367.35811,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,457119.90625,851297.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39699 Da 1327.72 s",22.13,395.38971,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,1077939.875,0.0,816190.1875,0.0,542710.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,390955.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33942 Da 1329.95 s",22.17,397.33215,"Ethyldodecanoate","C14H28O2",624635.1875,452492.0625,454717.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30272 Da 1331.86 s",22.20,311.29545,"Methylgallate","C8H8O5",0.0,1099135.125,432761.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "725.87888 Da 1334.63 s",22.24,724.87160,"17,21-Dihydroxypregn-4-ene-3,20-dione","C21H30O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,439046.1875,0.0,0.0,222820.296875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,498491.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,444784.15625,0.0,0.0,0.0,289842.09375,0.0 "589.90493 Da 1334.90 s",22.25,588.89766,"Diphenylphosphate","C12H11O4P",0.0,0.0,0.0,473138.96875,0.0,625756.75,0.0,548570.4375,0.0,0.0,0.0,958876.75,0.0,0.0,0.0,473627.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,711755.375,0.0,0.0,868243.625,755414.875,0.0,861888.8125,0.0,0.0,602518.8125,1135516.875 "354.34921 Da 1336.60 s",22.28,353.34193,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,464870.875,580083.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,815551.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "521.91741 Da 1339.19 s",22.32,520.91013,"3-Hydroxyflavone","C15H10O3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,369760.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,454060.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "378.28047 Da 1339.36 s",22.32,377.27319,"Salbutamol","C13H21NO3",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,78610.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,223703.59375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,228198.375,0.0,0.0,0.0,0.0 "268.24068 Da 1341.17 s",22.35,267.23340,"methyl palmitoleate","C17H32O2",0.0,0.0,0.0,0.0,249034.453125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,599735.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36523 Da 1340.18 s",22.34,367.35796,"Lignoceric acid","C24H48O2",7981202.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,413207.125,278431.25,0.0,0.0,0.0,0.0,0.0,0.0,637564.6875,0.0,1099943.875,350188.96875,858610.0625,0.0,0.0,0.0,0.0,1482046.0,836250.8125,0.0,622453.4375,518607.34375,0.0,0.0,0.0 "366.34912 Da 1341.07 s",22.35,365.34184,"Nervonic acid","C24H46O2",380990.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.34025 Da 1343.37 s",22.39,397.33297,"Estrone","C18H22O2",0.0,0.0,288857.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "589.90586 Da 1344.29 s",22.40,588.89859,"Cefdinir","C14H13N5O5S2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,712828.25,0.0,0.0,0.0,0.0,0.0,0.0,529421.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39650 Da 1346.89 s",22.45,395.38922,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,433466.40625,158511.140625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1410961.25,0.0,717184.375,476512.1875,0.0,0.0,0.0,0.0,0.0 "657.89168 Da 1345.88 s",22.43,656.88440,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",451324.59375,0.0,0.0,194428.0,390479.1875,398713.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,439029.53125,0.0,491520.3125,0.0,0.0,767463.8125,522488.34375,0.0,0.0,372546.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "614.51136 Da 1348.07 s",22.47,613.50409,"Stearic acid","C18H36O2",1705534.625,0.0,0.0,321657.28125,0.0,228032.0,0.0,187334.640625,0.0,0.0,0.0,0.0,0.0,968807.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,712835.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "674.88249 Da 1351.36 s",22.52,673.87522,"Boscalid","C18H12Cl2N2O",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,536432.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,692501.4375,589667.9375,863788.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,722312.375,0.0,0.0 "378.27991 Da 1351.04 s",22.52,377.27263,"MEF-Glu","C20H22N2O5",251978.546875,0.0,60364.0234375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "268.24013 Da 1353.36 s",22.56,267.23285,"methyl palmitoleate","C17H32O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,574016.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,473692.40625,0.0,255477.296875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "521.91782 Da 1355.24 s",22.59,520.91054,"Cefdinir","C14H13N5O5S2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,307897.53125,1065360.375,0.0,0.0,0.0,0.0,0.0,346718.21875,799208.125,0.0,0.0,0.0,0.0,0.0,0.0,345821.90625,0.0,0.0,0.0,0.0 "725.88003 Da 1354.02 s",22.57,724.87275,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,789720.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,662633.375,680089.125,0.0,0.0,0.0,0.0,452424.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,679780.5,0.0 "397.39995 Da 1355.11 s",22.59,396.39267,"1,11-Undecanedicarboxylic acid","C13H24O4",554922.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34997 Da 1355.78 s",22.60,353.34270,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,434881.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "312.30190 Da 1357.58 s",22.63,311.29462,"Methylgallate","C8H8O5",0.0,0.0,266868.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,200978.015625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27169 Da 1356.03 s",22.60,283.26442,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2215631.75,0.0,0.0,0.0,1872775.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1926360.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "657.89160 Da 1357.65 s",22.63,656.88433,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,624307.625,908554.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,649988.625,463765.34375,760145.3125,0.0,0.0,0.0,0.0,1181994.5,0.0,0.0,0.0,906248.125,436951.0625,580373.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1062402.75 "280.23996 Da 1358.42 s",22.64,279.23268,"3,5-Diiodothyronine","C15H13I2NO4",0.0,0.0,0.0,0.0,429223.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,146894.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "310.28660 Da 1361.00 s",22.68,309.27933,"Eicosenoic acid","C20H38O2",1570140.5,533114.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,193882.796875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "492.36648 Da 1361.63 s",22.69,491.35920,"Docosatetraenoic acid","C22H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,130461.8984375,0.0,0.0,0.0,292053.03125,0.0,0.0,0.0,0.0,116313.0390625,0.0,0.0,0.0,296262.09375,0.0,0.0 "674.88225 Da 1362.18 s",22.70,673.87497,"4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid","C17H12O6",0.0,0.0,0.0,0.0,0.0,0.0,0.0,289031.90625,0.0,910561.0,0.0,0.0,892892.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,598770.8125,0.0,0.0,0.0,0.0,0.0,0.0,513919.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "606.89503 Da 1362.52 s",22.71,605.88776,"Boscalid","C18H12Cl2N2O",0.0,0.0,0.0,0.0,618504.0625,0.0,0.0,0.0,566729.1875,0.0,0.0,0.0,978776.0,0.0,0.0,669508.25,0.0,0.0,564173.6875,600393.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,141331.953125,430523.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39629 Da 1362.43 s",22.71,395.38902,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,349543.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,533818.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,171194.8125,0.0,0.0,0.0,0.0,0.0 "369.36821 Da 1363.50 s",22.72,368.36094,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,623591.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34914 Da 1363.64 s",22.73,353.34186,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,436657.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,256252.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36514 Da 1363.88 s",22.73,367.35787,"Lignoceric acid","C24H48O2",4189417.25,0.0,0.0,0.0,1915276.25,0.0,1242233.25,0.0,0.0,0.0,0.0,500808.625,326775.46875,0.0,0.0,0.0,1698863.125,0.0,1585255.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,669832.6875,0.0,0.0,346950.71875,0.0 "589.90467 Da 1364.09 s",22.73,588.89739,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,947276.8125,420655.65625,874672.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "612.49579 Da 1366.21 s",22.77,611.48851,"Isovitexin 2''-O-arabinoside","C26H28O14",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,356926.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "628.52652 Da 1367.17 s",22.79,627.51924,"2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid","C11H18O8",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,970703.3125,0.0,321327.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,545303.6875,347482.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "793.86711 Da 1368.13 s",22.80,792.85984,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,175164.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,707129.5,455032.34375,0.0 "340.33352 Da 1368.21 s",22.80,339.32624,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,539481.6875,0.0,138996.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25600 Da 1368.48 s",22.81,281.24872,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,2039558.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1443146.625,0.0,0.0,0.0,2385566.75,0.0,0.0,1141439.75,0.0,1999531.625,0.0,0.0,3805684.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "284.27167 Da 1369.41 s",22.82,283.26439,"Stearic acid","C18H36O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2411262.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1975729.75,0.0,0.0 "742.87007 Da 1371.15 s",22.85,741.86279,"4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid","C17H12O6",0.0,0.0,0.0,0.0,0.0,0.0,436554.8125,0.0,0.0,274583.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,446771.28125,0.0,458347.625,428847.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "725.87902 Da 1372.74 s",22.88,724.87174,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",353727.75,0.0,356294.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,368548.8125,941897.625,858927.8125,0.0,0.0,0.0,0.0,798128.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39575 Da 1374.98 s",22.92,395.38847,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,497240.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,431233.1875,0.0,0.0,0.0,600860.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "285.27479 Da 1375.65 s",22.93,284.26752,"Estriol","C18H24O3",0.0,1272181.125,525402.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,494407.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "521.91738 Da 1377.35 s",22.96,520.91011,"Cefdinir","C14H13N5O5S2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,664861.625,687526.625,0.0,237655.375,0.0,1206089.125,0.0,421915.625,532899.0,0.0,0.0,0.0,0.0,0.0,0.0,405578.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "538.90794 Da 1378.99 s",22.98,537.90067,"Boscalid","C18H12Cl2N2O",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,200971.84375,262082.171875 "368.36535 Da 1380.17 s",23.00,367.35808,"Lignoceric acid","C24H48O2",6980709.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,385227.96875,387223.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,498811.4375,85691.015625,0.0,0.0,0.0,0.0,1401536.125,0.0,0.0,0.0,0.0,147724.203125,0.0 "793.86720 Da 1380.24 s",23.00,792.85992,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,471842.15625,0.0,0.0,434179.5625,599092.4375,0.0,0.0,0.0,0.0,0.0,534339.9375,0.0,387443.78125,0.0,0.0,0.0,383298.5,0.0,260317.0625,0.0,705774.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25565 Da 1381.05 s",23.02,281.24837,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,0.0,2628624.25,0.0,0.0,0.0,0.0,2133882.75,0.0,4623960.0,2779073.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "674.88233 Da 1381.07 s",23.02,673.87505,"Boscalid","C18H12Cl2N2O",0.0,0.0,0.0,0.0,0.0,0.0,303413.875,676208.4375,0.0,0.0,431641.8125,0.0,0.0,0.0,0.0,0.0,454128.15625,0.0,0.0,272402.28125,0.0,0.0,1018650.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,516883.875,0.0,0.0,0.0,0.0 "742.86974 Da 1382.46 s",23.04,741.86246,"Selenomethionine","C5H11NO2Se",0.0,0.0,0.0,0.0,0.0,0.0,703790.5625,232896.328125,337860.9375,0.0,0.0,467309.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,746781.1875,341283.0625,423698.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,526295.1875,0.0,581485.8125 "725.87922 Da 1384.25 s",23.07,724.87195,"Diphenylphosphate","C12H11O4P",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,319098.375,352608.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "606.89462 Da 1382.88 s",23.05,605.88734,"Boscalid","C18H12Cl2N2O",0.0,0.0,0.0,0.0,0.0,0.0,0.0,519425.625,0.0,0.0,0.0,0.0,0.0,0.0,242674.703125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,554808.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "298.25077 Da 1383.20 s",23.05,297.24349,"Methylgallate","C8H8O5",0.0,218552.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39611 Da 1385.20 s",23.09,395.38884,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,523415.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,355479.78125,880098.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,730628.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33884 Da 1387.48 s",23.12,397.33157,"1,11-Undecanedicarboxylic acid","C13H24O4",0.0,0.0,392803.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33385 Da 1387.67 s",23.13,339.32657,"Dodecanedioate","C12H22O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,185914.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25572 Da 1388.11 s",23.14,269.24844,"Heptadecanoic acid","C17H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,892703.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,608572.0,356855.125,0.0,260182.265625,359087.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "674.88227 Da 1392.11 s",23.20,673.87499,"Boscalid","C18H12Cl2N2O",0.0,0.0,364885.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,522795.4375,856334.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,423467.375,0.0,767666.0625,0.0,0.0,0.0,0.0,566308.0625,0.0,0.0 "312.30262 Da 1394.79 s",23.25,311.29535,"Methylgallate","C8H8O5",971717.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "521.91714 Da 1395.02 s",23.25,520.90986,"Selenomethionine","C5H11NO2Se",407872.28125,0.0,0.0,0.0,0.0,353695.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,876318.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "640.52861 Da 1395.71 s",23.26,639.52133,"Phosphatidylcholine alkenyl 16:0-20:4","C44H80NO7P",0.0,0.0,0.0,0.0,355966.53125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,993599.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36551 Da 1395.59 s",23.26,367.35824,"Lignoceric acid","C24H48O2",7244218.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,524850.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,516737.78125,0.0,0.0,0.0,0.0 "384.32384 Da 1399.55 s",23.33,383.31657,"Tridecanoic acid","C13H26O2",0.0,233466.640625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "742.86987 Da 1402.64 s",23.38,741.86260,"Boscalid","C18H12Cl2N2O",0.0,0.0,0.0,431367.03125,417231.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,478224.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "606.89510 Da 1403.27 s",23.39,605.88783,"Boscalid","C18H12Cl2N2O",0.0,295787.90625,520824.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,504476.65625,0.0,0.0,0.0,0.0,640953.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "793.86660 Da 1406.16 s",23.44,792.85932,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,395260.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,409768.1875,0.0,270306.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "725.87890 Da 1407.86 s",23.46,724.87163,"17,21-Dihydroxypregn-4-ene-3,20-dione","C21H30O4",0.0,328145.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "674.88214 Da 1408.05 s",23.47,673.87487,"Boscalid","C18H12Cl2N2O",0.0,0.0,607996.625,0.0,486334.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,491833.40625,0.0,0.0,0.0,0.0,0.0,672712.625,0.0,0.0,0.0,0.0,0.0,0.0,551717.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "861.85573 Da 1408.10 s",23.47,860.84845,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,299467.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,478727.90625,0.0,0.0,0.0,0.0,0.0,0.0,498792.5625,0.0,0.0,0.0,396576.84375,0.0,255222.5625,72571.125 "521.91690 Da 1408.67 s",23.48,520.90962,"Selenomethionine","C5H11NO2Se",0.0,0.0,942182.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,643883.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,431153.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36551 Da 1409.40 s",23.49,367.35824,"Lignoceric acid","C24H48O2",7878649.0,0.0,0.0,0.0,0.0,0.0,726387.25,0.0,0.0,0.0,280819.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1068733.625,0.0,0.0,132872.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,500914.0625,0.0,0.0,0.0 "340.33378 Da 1410.00 s",23.50,339.32650,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,777468.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,241913.890625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39647 Da 1410.08 s",23.50,395.38919,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,729337.6875,0.0,0.0,0.0,379628.5625,136700.734375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,469790.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,172151.359375,0.0,0.0,0.0,0.0,0.0 "280.23976 Da 1411.82 s",23.53,279.23248,"Linoleic acid","C18H32O2",0.0,0.0,0.0,0.0,706238.0,347515.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,213601.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,716584.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "402.93241 Da 1413.28 s",23.55,401.92513,"Apomorphine","C17H17NO2",0.0,0.0,0.0,0.0,0.0,0.0,265435.6875,0.0,0.0,0.0,0.0,638961.8125,0.0,437181.40625,0.0,265253.8125,0.0,427511.0,0.0,0.0,0.0,421544.84375,0.0,0.0,0.0,170177.703125,0.0,258102.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "793.86659 Da 1415.16 s",23.59,792.85932,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,286938.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36574 Da 1423.28 s",23.72,367.35847,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,394993.3125,0.0,0.0,0.0,3665922.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,286632.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "268.24003 Da 1424.55 s",23.74,267.23275,"Pantethine","C22H42N4O8S2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,640273.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,424187.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25573 Da 1425.10 s",23.75,269.24845,"Melibiose","C12H22O11",0.0,0.0,0.0,0.0,533865.1875,0.0,0.0,349768.3125,395966.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,557435.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "254.22517 Da 1429.34 s",23.82,253.21790,"Palmitoleic acid","C16H30O2",0.0,0.0,3221923.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,645324.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "742.86912 Da 1432.54 s",23.88,741.86184,"4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid","C17H12O6",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,225299.171875,0.0,430888.0625,0.0,0.0,0.0,636925.0,438031.625,0.0,0.0,0.0,0.0,0.0,391811.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "398.33880 Da 1434.18 s",23.90,397.33152,"N-Alpha-acetyllysine","C8H16N2O3",0.0,0.0,324173.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,195256.03125,226933.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33371 Da 1435.09 s",23.92,339.32643,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,417817.3125,262466.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "538.90778 Da 1435.21 s",23.92,537.90050,"Boscalid","C18H12Cl2N2O",0.0,0.0,0.0,297676.3125,0.0,229518.765625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,180927.296875,327546.5,0.0,0.0,440033.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1017007.0,0.0,0.0,0.0 "368.36584 Da 1437.17 s",23.95,367.35857,"Lignoceric acid","C24H48O2",6593066.0,0.0,0.0,0.0,1957896.625,0.0,0.0,0.0,0.0,0.0,343836.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "861.85511 Da 1437.92 s",23.97,860.84784,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,727291.625,0.0,0.0,0.0,0.0,0.0,317924.15625,0.0,0.0,0.0,213846.078125,0.0,0.0,690425.0,0.0,0.0,221427.09375,0.0,0.0,0.0 "268.24026 Da 1440.28 s",24.00,267.23298,"methyl palmitoleate","C17H32O2",0.0,0.0,0.0,0.0,0.0,218633.453125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,276786.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "606.89459 Da 1440.59 s",24.01,605.88731,"Boscalid","C18H12Cl2N2O",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,798018.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,768176.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "810.85703 Da 1441.48 s",24.02,809.84975,"4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid","C17H12O6",0.0,0.0,0.0,442787.84375,0.0,527247.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,536826.6875,241170.203125,0.0,0.0,504326.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,767339.375,0.0,374652.375,0.0,498620.8125,370625.59375,0.0,0.0 "715.85074 Da 1445.83 s",24.10,714.84346,"ONONETIN","C15H14O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,185421.9375,0.0,0.0,412112.1875,0.0,0.0,0.0,0.0,0.0,159203.78125,282139.8125,0.0,0.0,290942.15625,569780.3125,331638.4375,0.0,371616.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "657.89248 Da 1447.34 s",24.12,656.88520,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,743286.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "538.90720 Da 1448.00 s",24.13,537.89992,"4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid","C17H12O6",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,249448.921875,0.0,0.0,0.0,0.0,164223.5,0.0,394783.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,421028.0,0.0,781679.625,0.0 "426.37101 Da 1448.60 s",24.14,425.36373,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",211121.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36542 Da 1450.12 s",24.17,367.35814,"Lignoceric acid","C24H48O2",6675841.5,0.0,0.0,0.0,0.0,0.0,1212647.75,0.0,0.0,0.0,389382.0,0.0,282884.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,428887.8125,0.0,0.0,0.0,672753.25,0.0,0.0,0.0,0.0,0.0,0.0,944734.0,0.0,463793.5625,473069.0625,205033.578125 "861.85469 Da 1451.41 s",24.19,860.84741,"steviolbioside","C32H50O13",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,252423.5625,0.0,0.0 "589.90534 Da 1452.63 s",24.21,588.89806,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,818750.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "470.92014 Da 1456.56 s",24.28,469.91286,"Oleuropein","C25H32O13",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,476640.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,613824.0,164801.171875,0.0,0.0,0.0,0.0,0.0,370284.78125,448259.875,0.0,0.0,606595.4375 "810.85673 Da 1457.01 s",24.28,809.84945,"4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid","C17H12O6",0.0,0.0,0.0,0.0,185517.609375,0.0,0.0,449415.90625,0.0,0.0,441631.625,0.0,0.0,0.0,0.0,249322.90625,436449.84375,0.0,0.0,0.0,0.0,0.0,510006.59375,0.0,0.0,0.0,233415.109375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41212 Da 1457.79 s",24.30,409.40484,"Squalene","C30H50",483050.59375,439999.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "426.37072 Da 1458.03 s",24.30,425.36345,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",332831.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "257.24355 Da 1462.08 s",24.37,256.23627,"DL-a-phosphatidic acid dipalmitoyl","C35H69O8P",0.0,0.0,0.0,1025442.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,141159.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,350123.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "793.86632 Da 1462.48 s",24.37,792.85905,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,464322.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "657.89183 Da 1462.32 s",24.37,656.88455,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,475670.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "589.90448 Da 1463.77 s",24.40,588.89720,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1054807.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "280.24032 Da 1464.45 s",24.41,279.23304,"Thymidine-5'-diphosphate sodium salt","C10H16N2O11P2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,431051.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "647.86365 Da 1464.57 s",24.41,646.85637,"ONONETIN","C15H14O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,328521.96875,0.0,438867.21875,637709.875,284217.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,231523.984375,0.0,0.0,470753.6875,0.0,0.0,0.0,0.0,0.0,0.0,432678.09375,0.0,0.0,241621.015625,0.0,0.0 "715.85095 Da 1466.18 s",24.44,714.84367,"NALOXONE HYDROCHLORIDE","C19H22ClNO4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,466667.3125,529899.375,0.0,283556.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,360499.34375,0.0,394203.4375,0.0,0.0,0.0,0.0,0.0,310655.65625,456242.1875,161556.625,0.0,0.0,0.0,207244.734375 "742.86947 Da 1466.42 s",24.44,741.86219,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,461275.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "538.90704 Da 1469.23 s",24.49,537.89977,"Boscalid","C18H12Cl2N2O",0.0,0.0,231247.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,310017.28125,0.0,216252.328125,0.0,330132.71875,0.0,0.0,0.0,0.0,246456.078125,315520.125,780349.0,0.0,314991.3125,0.0,0.0,0.0,0.0,0.0,0.0 "396.39624 Da 1469.65 s",24.49,395.38896,"Hexacosanoic acid","C26H52O2",0.0,1730928.0,0.0,0.0,0.0,0.0,0.0,230123.53125,0.0,0.0,0.0,0.0,0.0,0.0,1786367.0,0.0,0.0,0.0,477308.0625,0.0,0.0,342878.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "674.88227 Da 1472.03 s",24.53,673.87500,"Boscalid","C18H12Cl2N2O",0.0,326820.96875,0.0,0.0,0.0,0.0,759271.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1180486.25 "410.41236 Da 1474.38 s",24.57,409.40509,"Squalene","C30H50",481494.5625,0.0,256750.453125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34941 Da 1476.01 s",24.60,353.34213,"Tricosanoic acid","C23H46O2",0.0,1710414.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,612865.5,449112.34375,388000.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "800.13972 Da 1478.31 s",24.64,799.13244,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",328136.28125,0.0,398931.28125,276812.09375,0.0,0.0,0.0,0.0,235734.453125,0.0,0.0,281148.0625,0.0,0.0,0.0,0.0,0.0,562377.0625,0.0,0.0,0.0,265825.0,0.0,365545.46875,0.0,216921.3125,0.0,323771.09375,165832.734375,0.0,0.0,198400.546875,301540.875,0.0,152512.921875,0.0 "312.30168 Da 1482.00 s",24.70,311.29440,"3,4-Dihydroxymandelic acid","C8H8O5",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,250575.90625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "270.25560 Da 1482.43 s",24.71,269.24833,"Heptadecanoic acid","C17H34O2",0.0,0.0,0.0,0.0,935322.3125,0.0,0.0,394270.625,607989.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,477599.875,0.0,707449.375,0.0,0.0,453740.15625,0.0,0.0,0.0,0.0,0.0,634290.0625,0.0,0.0,261533.03125,0.0,0.0,0.0,0.0 "282.25579 Da 1483.57 s",24.73,281.24852,"Imipramine","C19H24N2",0.0,0.0,3235629.5,0.0,2862674.75,0.0,0.0,0.0,0.0,0.0,0.0,1968698.75,0.0,0.0,0.0,0.0,2540450.25,0.0,0.0,2168030.25,0.0,2283056.75,1968908.875,0.0,2009516.25,3637728.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "579.87641 Da 1483.75 s",24.73,578.86913,"ONONETIN","C15H14O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,656729.1875,0.0,0.0,373993.71875,0.0,0.0,450505.0,0.0,0.0,0.0,0.0,338709.46875,509372.71875,288190.15625,0.0,0.0,0.0,0.0,0.0,0.0,137109.5625,342423.46875,0.0,0.0,0.0,238803.953125 "396.39614 Da 1484.61 s",24.74,395.38887,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,351410.28125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1044292.5625,495468.03125,0.0,712708.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1252990.875,565626.0625,0.0,0.0,157491.578125,0.0,0.0,0.0,0.0 "647.86323 Da 1485.17 s",24.75,646.85595,"ONONETIN","C15H14O4",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,424574.96875,583620.125,0.0,0.0,593678.375,0.0,0.0,467028.59375,0.0,0.0,563026.75,0.0,0.0,0.0,0.0,0.0,283815.28125,0.0,0.0,793427.5625,0.0,130608.1328125,261252.09375,230371.359375,277148.25,0.0,432161.53125,0.0 "538.90686 Da 1486.37 s",24.77,537.89959,"Boscalid","C18H12Cl2N2O",0.0,0.0,0.0,816270.4375,471735.0625,0.0,0.0,0.0,896620.5625,844770.0,0.0,546072.875,0.0,587666.4375,280492.8125,709328.4375,0.0,0.0,417551.0625,0.0,0.0,0.0,0.0,0.0,0.0,238213.09375,0.0,0.0,614115.9375,0.0,0.0,689823.9375,0.0,0.0,0.0,0.0 "354.34936 Da 1486.64 s",24.78,353.34208,"Tricosanoic acid","C23H46O2",0.0,1508169.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,416584.65625,412261.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41117 Da 1486.73 s",24.78,409.40390,"Squalene","C30H50",0.0,271446.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36529 Da 1490.94 s",24.85,367.35801,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,557058.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1451852.75,0.0,0.0,568024.6875,480390.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,530138.5625,886237.375,0.0,537065.8125,0.0 "810.85583 Da 1490.94 s",24.85,809.84856,"4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid","C17H12O6",0.0,0.0,506824.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,651953.75,0.0,0.0,0.0,0.0,0.0,816248.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "793.86641 Da 1491.46 s",24.86,792.85913,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,711097.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,505594.5625,0.0,0.0,0.0,0.0,0.0,0.0 "589.90448 Da 1491.43 s",24.86,588.89720,"Diphenylphosphate","C12H11O4P",0.0,712579.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "800.13928 Da 1494.74 s",24.91,799.13200,"Dolasetron","C19H20N2O3",0.0,415257.03125,0.0,523122.21875,0.0,386744.40625,277749.53125,408839.15625,304691.46875,250594.875,0.0,0.0,182024.140625,399479.25,0.0,0.0,295379.21875,0.0,338408.0625,331526.71875,0.0,0.0,358424.4375,0.0,120790.59375,0.0,250366.421875,0.0,0.0,322089.0,478250.65625,0.0,0.0,254382.6875,0.0,374887.71875 "742.86903 Da 1495.80 s",24.93,741.86176,"Boscalid","C18H12Cl2N2O",0.0,0.0,0.0,458598.71875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "470.92013 Da 1497.48 s",24.96,469.91285,"Norharman","C11H8N2",0.0,0.0,314629.34375,558052.375,0.0,0.0,0.0,0.0,558387.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,841404.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,396660.40625,866540.125,0.0,0.0,0.0,0.0,0.0 "725.87902 Da 1502.02 s",25.03,724.87174,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,850203.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41173 Da 1502.35 s",25.04,409.40445,"Squalene","C30H50",0.0,0.0,541364.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "242.22424 Da 1504.97 s",25.08,241.21696,"Pentadecanoic acid","C15H30O2",0.0,1745532.75,0.0,0.0,687823.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,139844.46875,0.0,419137.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36517 Da 1506.32 s",25.11,367.35790,"Lignoceric acid","C24H48O2",6443061.0,0.0,0.0,0.0,1457179.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,40868.21875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,699688.75,0.0,0.0,0.0,0.0,0.0 "783.83732 Da 1506.44 s",25.11,782.83005,"ONONETIN","C15H14O4",543647.625,833996.75,745774.5,490745.0,950557.625,748608.0625,0.0,0.0,726637.1875,586887.875,875392.8125,450396.46875,709362.5,817022.25,839640.4375,586607.9375,763165.875,848176.8125,522858.65625,347700.21875,865615.0,781582.9375,940295.75,427995.34375,950922.0625,717055.875,899281.5625,848272.6875,692203.5,816732.8125,892490.625,825215.625,771832.5625,856343.375,633039.875,972991.875 "396.39644 Da 1506.71 s",25.11,395.38916,"Hexacosanoic acid","C26H52O2",0.0,0.0,1452028.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,455269.8125,0.0,0.0,0.0,0.0,0.0 "742.86930 Da 1507.61 s",25.13,741.86202,"4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid","C17H12O6",681717.3125,882055.5,0.0,0.0,902246.5,0.0,1054590.25,1010038.1875,0.0,936961.875,505827.625,0.0,1116110.25,825782.5,1003632.4375,863711.375,0.0,453645.625,913521.0625,0.0,0.0,0.0,739453.125,1030433.3125,0.0,794420.125,442104.9375,1037177.4375,967935.75,933281.375,997147.6875,1036828.0625,1046499.0,1027175.75,1098755.5,0.0 "793.86691 Da 1508.31 s",25.14,792.85963,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1941202.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "674.88250 Da 1509.24 s",25.15,673.87522,"4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid","C17H12O6",393885.84375,0.0,685316.375,1035232.5625,0.0,878338.0,0.0,0.0,1049436.75,1188667.0,847711.75,1145473.0,0.0,871291.875,899465.3125,955072.125,0.0,1010304.875,0.0,0.0,1142998.625,0.0,1232268.75,1233946.5,1265447.875,986776.8125,0.0,895923.0625,0.0,1166674.375,0.0,0.0,1156869.0,0.0,1189602.625,0.0 "282.25600 Da 1509.34 s",25.16,281.24873,"Vaccenic acid","C18H34O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,958314.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1384088.75,0.0,0.0,878818.3125,1697542.125,0.0,0.0,0.0,0.0,2200238.5,0.0,0.0,0.0,0.0,0.0,0.0,1203762.25,0.0,0.0 "312.30255 Da 1510.77 s",25.18,311.29527,"Methylgallate","C8H8O5",566630.4375,614495.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "521.91786 Da 1511.75 s",25.20,520.91058,"Selenomethionine","C5H11NO2Se",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2449623.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2809900.5,0.0,0.0,0.0,0.0,0.0 "589.90508 Da 1515.59 s",25.26,588.89781,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",3690649.75,3816081.0,3890886.75,4167657.5,4159189.0,4087121.75,4991111.5,3450233.5,3972320.75,4541078.0,4267726.0,4181545.75,4184924.25,8583705.0,3360847.25,3624497.25,4343446.0,3619645.0,4105175.25,3984991.75,4909532.0,4296082.5,3895931.75,4097880.75,3932315.75,3966169.25,3589496.5,3941843.5,4342991.0,3712559.5,3939777.5,4777740.5,4332089.0,4185738.25,4448483.5,4291327.0 "861.85456 Da 1515.90 s",25.27,860.84728,"steviolbioside","C32H50O13",2295181.0,1963008.625,1880621.875,1743065.75,2380821.25,4852563.0,5394225.5,2217357.25,2419475.5,1961889.375,2199625.75,2402119.5,2726418.0,1748870.5,2156035.5,5109582.5,2260075.0,1945676.125,2110366.0,5219273.5,1971185.25,2042735.0,1930642.125,2571648.75,2284243.5,2359715.0,2158639.25,2179823.25,5270400.0,2205221.25,2170108.0,2202409.25,2341918.25,2588937.25,5264687.0,2406796.25 "725.87990 Da 1513.87 s",25.23,724.87262,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4550615.5,0.0,0.0 "657.89224 Da 1515.47 s",25.26,656.88497,"Diphenylphosphate","C12H11O4P",3084170.5,2994582.25,3472270.75,3372020.25,3717273.75,3682207.5,3547677.0,3303586.25,3429549.0,3717857.5,3758170.5,3648421.25,4007513.25,2901130.5,3634871.25,3344145.25,3556350.25,3593406.75,3641850.75,3042546.5,4065832.5,3392184.5,3441742.75,3502370.75,3429917.75,3304384.5,3772180.0,3422224.5,3266497.0,3478424.0,3364098.5,4336518.5,3338329.75,9116896.0,3800501.25,3235282.25 "521.91769 Da 1515.77 s",25.26,520.91041,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",2072896.375,2093356.75,2064539.0,2010730.625,1975826.25,2187926.25,2358958.25,2223552.25,5446503.5,6210384.5,5829967.5,2662796.75,2591701.25,2277967.75,2346930.75,2321793.0,2281352.75,0.0,0.0,0.0,2289721.25,2424815.75,5366539.5,2637536.5,0.0,4922177.0,2507649.0,2101631.0,2180237.25,5501572.0,2288124.75,2575750.5,0.0,2613193.75,2533753.5,2547662.5 "521.91755 Da 1515.55 s",25.26,520.91027,"18b-glycyrrhetinic acid","C30H46O4",1860073.875,1857040.5,1553203.0,1611533.5,0.0,4088560.5,0.0,1893239.0,3889215.75,3976156.25,0.0,4254210.5,0.0,3915080.25,3809301.75,3446483.25,3974252.5,3964961.25,1429768.25,4157113.75,4073962.5,4413952.5,1888073.125,1562487.375,4161711.0,1921515.375,1581227.625,1513283.5,1625800.875,4321170.0,4144334.0,3994359.75,0.0,3944285.0,0.0,0.0 "725.87958 Da 1515.66 s",25.26,724.87230,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",3732308.0,2993119.75,3474374.5,3499950.25,3603846.75,3872438.5,3545618.75,3739521.25,4242813.0,3815155.25,3801572.5,3699741.75,3963207.0,3303542.0,3313596.5,3607604.25,0.0,3811575.25,3629551.25,3571857.5,4636797.5,4033282.5,3684831.0,3807391.0,3801015.75,3638335.5,3280220.75,3615394.5,4015227.25,3528568.0,4726678.5,3745317.25,3455431.5,4252215.0,3831839.5,3867691.75 "589.90471 Da 1514.26 s",25.24,588.89743,"5-[1,2,4a-trimethyl-5-(3-methylbutanoyloxymethyl)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid","C25H42O4",2210020.25,2188478.0,2380103.25,2710028.25,2034198.125,2430963.0,2086731.625,2405409.5,2361287.0,2367052.0,2318497.25,2491139.0,1144537.5,2125182.75,1996820.25,2195127.5,2629554.0,2352411.5,2525389.25,2275986.75,2160965.0,2530186.0,2400862.5,2997803.5,2256922.75,2652030.25,1061074.875,2249229.75,2126350.75,1203748.125,1258012.375,2761560.5,1031664.875,2553960.5,2304410.75,2389141.25 "793.86704 Da 1515.57 s",25.26,792.85977,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",2989335.75,2600268.5,2975547.25,3228950.75,3397220.0,3194835.75,2992683.5,3037151.5,3462732.5,3148036.25,3320190.25,3380450.75,2993544.25,3103423.25,2894352.5,2850526.5,2704938.0,3297458.0,3394044.0,3052899.25,3379549.5,2975543.25,3269055.25,3251301.0,2964758.5,3095480.0,3017021.25,2621887.25,3367822.75,3495377.0,3375880.25,2700954.5,3281331.75,3106104.0,3279893.75,3318360.5 "317.95522 Da 1514.76 s",25.25,316.94795,"5-[[4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","C34H40O19",3080484.75,0.0,1077339.25,0.0,0.0,2784237.5,0.0,2666226.75,2956870.75,2896430.25,0.0,0.0,0.0,0.0,1283622.5,0.0,0.0,2537183.0,0.0,2868936.0,2840185.25,2313830.5,1211763.125,0.0,0.0,0.0,0.0,2841716.25,2594002.0,1483441.625,0.0,0.0,0.0,0.0,0.0,2851614.0 "521.91739 Da 1514.41 s",25.24,520.91012,"Cocarboxylase","C12H19N4O7P2S",0.0,816840.3125,1911762.875,0.0,1207964.125,2613009.75,2527906.5,2151581.0,2511188.75,2389295.75,2427461.25,2227628.75,2505936.0,2451497.0,2855489.25,2055804.75,2555766.0,2183744.25,0.0,0.0,2361426.75,2293595.75,0.0,2844205.75,2243067.25,2383339.5,2754332.75,1614107.75,1107097.0,2235566.5,0.0,2414332.0,2062795.125,2302812.5,2522177.25,2329043.75 "270.25571 Da 1514.72 s",25.25,269.24844,"Estrone","C18H22O2",0.0,1262360.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "385.94236 Da 1517.70 s",25.30,384.93508,"AVE3247","C25H24ClN5O4S",2845004.5,2656356.25,2516749.5,2439514.75,2088333.375,2466572.5,2880702.75,1608526.5,2484298.0,2360419.25,2328825.75,2415576.75,3030256.75,2540315.75,2416496.75,2280037.75,2210870.0,2477070.0,1096483.75,1099910.625,2543972.5,2419897.75,0.0,2839774.75,2411431.75,2419060.75,2817735.75,2165652.75,1166354.875,2510823.5,2635150.5,2958626.0,1257759.0,1110417.75,2690770.5,2543860.0 "997.83096 Da 1515.23 s",25.25,996.82368,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,2871891.5,0.0,2781370.75,2255131.0,2349955.0,2217296.75,950442.0,0.0,0.0,0.0,1939075.125,0.0,751294.875,1431869.0,2805712.25,1999754.625,1945321.5,2040848.5,1742601.875,0.0,0.0,0.0,2253373.0,0.0,2862335.25,2443654.5,0.0,1911771.25,1226234.75,2297282.0 "793.86780 Da 1515.90 s",25.26,792.86052,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,867780.9375,1503987.5,1647780.375,2087383.25,2019208.5,2377625.5,1898004.625,1867188.125,1157030.75,2173378.25,2132223.5,2263866.5,0.0,1412963.75,1147936.125,2070294.0,1953624.875,1486052.125,1054316.5,2404961.5,2085363.5,1089144.5,2046290.0,1802093.125,1324884.375,1938321.5,2287767.75,1847301.375,1956818.875,1159762.0,1202037.875,2157333.0,2377254.0,2505255.75,1900221.0 "453.93016 Da 1515.40 s",25.26,452.92288,"2-bromo-4-(2,4-dibromophenoxy)phenol","C12H7Br3O2",2580499.5,2462179.5,2073289.5,2938787.5,2124027.0,2719614.5,2599750.25,0.0,2850765.75,2861026.5,2528498.0,2812756.0,2684184.5,2410060.75,1226160.375,2523693.5,2684361.5,2508044.5,2252644.5,2946418.75,2727779.75,3101383.25,2767135.75,2556021.5,2867676.25,1191536.125,2550692.25,2833257.75,2488898.25,2503415.75,2731839.25,0.0,2356130.0,2584820.25,1346011.25,2615310.5 "763.85626 Da 1519.60 s",25.33,762.84898,"Pesticide3_Chlorfluazuron_C20H9Cl3F5N3O3_Benzamide, N-[[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]carbonyl]-2,6-difluoro-","C20H9Cl3F5N3O3",2839689.0,2524339.5,2809311.5,3086431.25,0.0,0.0,0.0,0.0,3149783.0,0.0,2942623.75,0.0,3183492.75,3150532.75,0.0,2885749.75,2924976.25,0.0,2931032.5,0.0,3075640.25,0.0,0.0,3160085.0,0.0,2834433.0,2839193.0,0.0,2791710.75,2860437.25,1923026.5,0.0,3394921.25,0.0,3299229.0,0.0 "589.90574 Da 1520.07 s",25.33,588.89847,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3106566.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "861.85407 Da 1520.72 s",25.35,860.84680,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",1987521.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1787297.75,0.0,0.0,0.0,0.0,0.0,0.0,1791659.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1650466.125,0.0,0.0 "627.88195 Da 1523.43 s",25.39,626.87467,"Triclosan","C12H7Cl3O2",2386759.5,0.0,0.0,0.0,0.0,0.0,0.0,1293433.875,1406206.625,2942571.5,0.0,0.0,2871537.75,1063370.125,0.0,2604525.25,2536834.75,2892969.25,2835643.5,0.0,2995013.0,2569756.5,0.0,0.0,1268733.125,1413560.75,0.0,2771989.0,2666574.25,0.0,0.0,0.0,2881430.0,0.0,2551730.5,2531131.0 "831.84430 Da 1523.53 s",25.39,830.83702,"Pesticide3_Chlorfluazuron_C20H9Cl3F5N3O3_Benzamide, N-[[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]carbonyl]-2,6-difluoro-","C20H9Cl3F5N3O3",2456305.0,2281140.5,2214192.75,0.0,2345539.5,2342949.0,2518097.25,2457981.5,2717573.25,2811890.25,2745755.75,2660360.5,2831040.0,2487784.75,2326196.5,2080961.75,2156308.75,2435087.5,1868065.25,1608378.5,1267927.75,0.0,2743368.25,2337797.75,2624444.25,2133541.25,2377729.0,2219560.5,2428959.0,2123131.75,2930975.75,2623014.25,2228908.0,2408122.25,2277157.25,0.0 "657.89225 Da 1527.59 s",25.46,656.88497,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,0.0,1798512.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2505281.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1924201.75,0.0,0.0,0.0,0.0 "725.88016 Da 1526.72 s",25.45,724.87288,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,1748311.25,0.0,0.0,0.0,1948688.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2382158.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1861692.5,0.0,0.0,0.0,0.0,0.0 "396.39626 Da 1528.35 s",25.47,395.38899,"Hexacosanoic acid","C26H52O2",1993845.25,0.0,1250815.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1048038.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "641.53104 Da 1529.31 s",25.49,640.52376,"Folinic acid","C20H23N7O7",778208.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "589.90565 Da 1530.22 s",25.50,588.89837,"17,21-Dihydroxypregn-4-ene-3,20-dione","C21H30O4",0.0,1546433.375,0.0,0.0,0.0,0.0,0.0,2275676.5,0.0,2262430.25,0.0,0.0,0.0,1845525.375,0.0,2114733.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1998740.25,1902085.375,0.0,2128044.25,0.0,2385978.0 "763.85642 Da 1530.05 s",25.50,762.84914,"Triclosan","C12H7Cl3O2",0.0,0.0,0.0,0.0,2788195.0,3084731.25,3254521.75,3330043.25,0.0,3420794.25,0.0,3404267.75,0.0,0.0,2963932.5,0.0,0.0,3014157.0,0.0,1697441.0,0.0,2991868.75,3611694.5,0.0,2885308.25,0.0,0.0,3271695.5,0.0,0.0,0.0,3087703.75,0.0,1500207.125,0.0,3265259.5 "369.36853 Da 1530.30 s",25.51,368.36125,"Lignoceric acid","C24H48O2",1250048.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "899.83007 Da 1531.08 s",25.52,898.82279,"Pesticide3_Chlorfluazuron_C20H9Cl3F5N3O3_Benzamide, N-[[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]carbonyl]-2,6-difluoro-","C20H9Cl3F5N3O3",0.0,0.0,0.0,1012212.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,734564.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33392 Da 1531.30 s",25.52,339.32664,"Behenic acid","C22H44O2",1188061.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36476 Da 1531.80 s",25.53,367.35749,"Lignoceric acid","C24H48O2",0.0,0.0,4759054.0,0.0,0.0,995875.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3476216.5,0.0,805740.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "256.24046 Da 1533.41 s",25.56,255.23318,"4,6-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one","C15H24O4",5343539.0,8478744.0,0.0,4321776.5,0.0,0.0,0.0,1888038.75,0.0,2706478.0,0.0,1605553.5,2084228.75,0.0,0.0,0.0,0.0,0.0,0.0,3050687.25,0.0,0.0,0.0,1581342.25,0.0,5034753.5,5066448.5,0.0,0.0,0.0,0.0,2880610.75,0.0,0.0,2369854.75,0.0 "667.87374 Da 1533.69 s",25.56,666.86646,"Triclosan","C12H7Cl3O2",1028363.8125,0.0,666857.9375,0.0,776335.9375,912434.5625,0.0,965792.3125,852095.5,0.0,962394.5,954086.1875,1110806.5,0.0,767314.25,763139.1875,706768.6875,564231.4375,812528.3125,0.0,0.0,936055.375,804787.25,1269537.375,0.0,0.0,1194654.625,0.0,0.0,1006924.75,883670.25,965809.8125,0.0,540209.6875,0.0,886758.4375 "725.87901 Da 1538.47 s",25.64,724.87174,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,0.0,1785741.75,0.0,2582976.5,0.0,0.0,0.0,0.0,1674011.75,0.0,1986053.375,0.0,3396364.75,0.0,0.0,1002057.5,0.0,864371.125,0.0,0.0,2063699.375,0.0,1589575.875,0.0,0.0,1061755.5,0.0,0.0,866269.625,2564179.0,2041206.125,0.0 "627.88166 Da 1535.50 s",25.59,626.87438,"Triclosan","C12H7Cl3O2",0.0,1315944.875,2487738.75,2593090.25,2777820.75,2938400.25,2688402.25,0.0,0.0,0.0,2488046.25,2612399.75,0.0,0.0,2711508.0,0.0,0.0,0.0,0.0,2507966.75,0.0,0.0,2585315.25,2675310.5,0.0,0.0,2706038.75,0.0,0.0,2804700.0,1323679.5,2639757.25,0.0,2611508.5,0.0,0.0 "310.28692 Da 1535.91 s",25.60,309.27964,"Eicosenoic acid","C20H38O2",626664.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34954 Da 1537.89 s",25.63,353.34227,"Tricosanoic acid","C23H46O2",1044589.875,1421601.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "831.84435 Da 1538.31 s",25.64,830.83707,"Pesticide3_Chlorfluazuron_C20H9Cl3F5N3O3_Benzamide, N-[[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]carbonyl]-2,6-difluoro-","C20H9Cl3F5N3O3",0.0,0.0,0.0,2408015.5,754449.625,0.0,0.0,0.0,891257.3125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,679708.6875,0.0,2606609.75,0.0,0.0,0.0,0.0,898146.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1732188.75 "531.89925 Da 1541.66 s",25.69,530.89198,"(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one","C16H14O7",750778.25,0.0,719735.25,479224.8125,0.0,0.0,1013140.625,876523.5625,972715.25,0.0,1026702.4375,1101302.0,0.0,573712.75,698637.5625,0.0,0.0,884806.375,0.0,0.0,1098419.875,0.0,0.0,0.0,0.0,461924.3125,0.0,826679.0,918596.25,0.0,854271.0625,1131906.875,927289.9375,0.0,937493.8125,895582.8125 "521.91729 Da 1543.40 s",25.72,520.91002,"Selenomethionine","C5H11NO2Se",0.0,0.0,0.0,0.0,593930.5625,599265.5,0.0,1189454.0,0.0,897693.5625,0.0,996035.3125,0.0,0.0,0.0,0.0,0.0,0.0,415207.34375,2049535.875,1341290.0,949417.0625,738427.25,0.0,2337011.75,0.0,0.0,1446028.375,0.0,988477.8125,1328099.125,1231123.5,2366952.0,0.0,0.0,548862.0 "657.89197 Da 1543.00 s",25.72,656.88469,"methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate","C19H16O7",0.0,0.0,0.0,0.0,822709.9375,0.0,0.0,0.0,1261760.75,1442091.0,0.0,1892158.375,0.0,0.0,0.0,0.0,766988.9375,0.0,1668688.375,2459474.75,0.0,806468.0625,0.0,1924314.125,1648524.625,1547239.125,0.0,0.0,1070955.125,0.0,1349727.125,1027426.0625,2016670.875,1754008.25,1773432.875,1477664.25 "270.25569 Da 1543.80 s",25.73,269.24841,"Heptadecanoic acid","C17H34O2",0.0,2359824.25,0.0,699339.875,833126.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,516035.40625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "282.25584 Da 1544.61 s",25.74,281.24856,"Petroselinic acid","C18H34O2",5185800.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1493216.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1553030.75,0.0,0.0,1269751.0 "396.39595 Da 1545.42 s",25.76,395.38868,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,195313.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,680262.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36531 Da 1546.98 s",25.78,367.35804,"Lignoceric acid","C24H48O2",7876122.5,0.0,0.0,0.0,0.0,0.0,0.0,534256.0625,0.0,0.0,62191.9453125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1174958.5,0.0,457510.125,0.0,0.0,0.0,0.0 "667.87331 Da 1547.03 s",25.78,666.86604,"Triclosan","C12H7Cl3O2",0.0,460199.03125,0.0,881565.25,0.0,0.0,788499.5625,0.0,0.0,795974.1875,0.0,0.0,0.0,652153.0,0.0,0.0,0.0,0.0,0.0,931632.9375,779286.25,0.0,0.0,0.0,1081203.625,980509.125,0.0,635789.5,748548.125,0.0,0.0,0.0,757060.9375,0.0,1034299.6875,0.0 "640.52757 Da 1550.39 s",25.84,639.52029,"11,12,13-trihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-1H,2H,3H,4H,6aH,9H,10H,11H,12H,13H,14H,15H,15bH-cycloundeca[e]isoindole-1,15-dione","C24H37NO5",0.0,0.0,0.0,0.0,520000.875,531852.0,185260.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36865 Da 1552.75 s",25.88,368.36137,"Lignoceric acid","C24H48O2",0.0,950082.125,738691.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,965688.375,182250.140625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "597.87070 Da 1554.02 s",25.90,596.86343,"Thiophanic acid","C14H6Cl4O5",0.0,0.0,0.0,0.0,0.0,566963.6875,0.0,0.0,0.0,715076.875,819232.625,0.0,0.0,666513.0625,0.0,625610.0,0.0,0.0,0.0,0.0,648893.0625,746916.5625,0.0,0.0,813162.9375,721590.625,679339.0625,750952.1875,0.0,875267.3125,0.0,0.0,412311.5,0.0,0.0,0.0 "340.33389 Da 1556.89 s",25.95,339.32661,"Behenic acid","C22H44O2",0.0,1231499.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,385439.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "396.39600 Da 1557.24 s",25.95,395.38872,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,460274.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "667.87254 Da 1559.46 s",25.99,666.86527,"Triclosan","C12H7Cl3O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,307814.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36545 Da 1561.67 s",26.03,367.35818,"Lignoceric acid","C24H48O2",5956416.0,0.0,0.0,1157712.5,0.0,0.0,599660.5625,0.0,623842.75,0.0,570204.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,421214.96875,0.0,399979.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "531.89957 Da 1561.74 s",26.03,530.89230,"(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one","C16H14O7",0.0,824507.75,0.0,0.0,1021640.9375,1006845.5625,0.0,0.0,0.0,461834.21875,0.0,0.0,0.0,0.0,0.0,0.0,684940.4375,0.0,0.0,748300.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,929000.625,0.0,0.0,0.0,1010088.875,0.0,0.0 "354.34933 Da 1562.45 s",26.04,353.34205,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,622199.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,243292.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20397 Da 1563.22 s",26.05,341.19670,"9-Phenanthrenol","C14H10O",0.0,511963.375,0.0,567178.875,0.0,0.0,524093.46875,0.0,0.0,0.0,0.0,0.0,306624.53125,0.0,0.0,0.0,246185.40625,0.0,0.0,0.0,0.0,0.0,270409.09375,0.0,0.0,0.0,380777.53125,0.0,0.0,0.0,0.0,404163.09375,277255.5625,0.0,0.0,0.0 "396.39582 Da 1568.36 s",26.14,395.38855,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,548171.8125,345416.875,349592.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "268.24014 Da 1572.31 s",26.21,267.23286,"methyl palmitoleate","C17H32O2",0.0,0.0,1371191.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,277119.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33363 Da 1572.43 s",26.21,339.32636,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,227568.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20378 Da 1574.67 s",26.24,341.19650,"Zardaverine","C12H10F2N2O3",0.0,0.0,669229.5625,0.0,619440.25,0.0,0.0,0.0,298541.90625,318582.53125,368339.21875,0.0,567142.5625,0.0,0.0,0.0,0.0,311748.8125,352587.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,221069.796875,0.0,365664.15625,0.0,0.0,0.0,0.0,0.0 "287.94435 Da 1576.85 s",26.28,286.93708,"Homoarginine","C7H16N4O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,521165.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,285148.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36536 Da 1577.92 s",26.30,367.35808,"Lignoceric acid","C24H48O2",7435868.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,560820.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,441190.4375,431688.5625,945811.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1104673.375,0.0,395385.1875,292698.78125,0.0,0.0 "396.39653 Da 1581.02 s",26.35,395.38926,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,555296.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "242.22452 Da 1580.68 s",26.34,241.21725,"Prenyletin","C14H14O4",0.0,0.0,0.0,382060.4375,372220.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,916894.25,0.0,0.0,335818.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,421554.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20435 Da 1585.18 s",26.42,341.19708,"Inosine","C10H12N4O5",0.0,0.0,330827.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,409515.8125,0.0,0.0,0.0,373227.40625,0.0,0.0,0.0,208513.21875,0.0,512881.90625,0.0,215888.53125,344195.28125,0.0,0.0,615359.75,0.0,0.0,0.0,249346.109375,0.0,288917.84375,296680.09375,466989.625 "396.39615 Da 1591.56 s",26.53,395.38888,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,229881.484375,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33338 Da 1592.09 s",26.53,339.32611,"Behenic acid","C22H44O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,386338.15625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41139 Da 1592.45 s",26.54,409.40412,"Squalene","C30H50",292888.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36503 Da 1593.94 s",26.57,367.35776,"Lignoceric acid","C24H48O2",7240800.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,861592.625,827827.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,839946.5625,1245078.375,0.0,0.0,299495.90625,0.0,429593.3125,0.0,0.0,0.0,0.0,1266633.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20417 Da 1595.31 s",26.59,341.19689,"Inosine","C10H12N4O5",0.0,0.0,0.0,342358.0,272800.65625,0.0,0.0,0.0,0.0,0.0,0.0,434047.78125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,357361.15625,411785.3125,0.0,0.0,0.0,553384.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34927 Da 1597.80 s",26.63,353.34199,"Tricosanoic acid","C23H46O2",0.0,0.0,700032.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,453577.125,728422.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36535 Da 1603.81 s",26.73,367.35807,"Lignoceric acid","C24H48O2",7481538.5,0.0,0.0,0.0,1000437.0,0.0,543067.5625,568019.875,1026737.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,419351.65625,455816.65625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "643.54698 Da 1606.57 s",26.78,642.53971,"3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid","C30H46O6",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,441266.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "340.33368 Da 1605.61 s",26.76,339.32640,"Behenic acid","C22H44O2",0.0,0.0,1126942.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,565223.5,754539.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "342.20403 Da 1606.87 s",26.78,341.19675,"Inosine","C10H12N4O5",0.0,292349.28125,0.0,0.0,0.0,264420.125,0.0,342512.34375,0.0,0.0,455976.9375,0.0,375814.03125,243519.34375,0.0,250187.578125,0.0,0.0,373286.15625,0.0,450737.125,0.0,0.0,0.0,0.0,0.0,0.0,331124.125,262581.46875,0.0,0.0,0.0,366342.28125,234445.59375,0.0,620195.4375 "396.39682 Da 1608.15 s",26.80,395.38954,"Hexacosanoic acid","C26H52O2",0.0,0.0,0.0,0.0,467773.75,560549.4375,149441.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,747206.9375,0.0,482306.4375,0.0,0.0,0.0,0.0,0.0,0.0,1497465.25,1351186.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "354.34980 Da 1608.17 s",26.80,353.34252,"Tricosanoic acid","C23H46O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,604644.5625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "280.24011 Da 1609.48 s",26.82,279.23283,"Linoleic acid","C18H32O2",0.0,0.0,1212559.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1060086.5,463934.5625,645715.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,721719.3125,401876.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "369.36804 Da 1610.56 s",26.84,368.36076,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,428047.0625,274306.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "410.41175 Da 1611.70 s",26.86,409.40447,"Squalene","C30H50",283153.1875,198825.5625,186006.96875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0 "368.36475 Da 1616.54 s",26.94,367.35748,"Lignoceric acid","C24H48O2",0.0,0.0,0.0,0.0,0.0,0.0,795151.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0