metabolite_name CK_1_neg CK_2_neg CK_3_neg CK_4_neg CK_5_neg CK_6_neg T3_1_neg T3_2_neg T3_3_neg T3_4_neg T3_5_neg T3_6_neg T7_1_neg T7_2_neg T7_3_neg T7_4_neg T7_5_neg T7_6_neg QC1_neg QC2_neg QC3_neg Sesamose 304800 263100 284900 291400 311600 305800 424100 415000 476700 499200 432200 426300 1003000 1027000 1032000 1020000 994300 1090000 466600 475600 466500 Verbascose 240200 295600 187700 226900 221400 275000 406800 351400 458000 447300 458500 456200 878100 912800 1024000 886800 977100 890600 410300 434700 434500 Raffinose 825200 892800 923000 829200 875000 853500 1332000 1296000 1405000 1394000 1367000 1355000 2484000 2556000 2494000 2417000 2553000 2556000 1317000 1317000 1300000 1-Kestose 341600 379100 343100 349400 330900 347300 455600 427100 478000 452300 484700 464300 557300 568200 565400 550400 558700 535600 432600 432700 407200 L-Phenylalanine 17970 18390 19630 18270 20460 20600 22200 23770 26860 24500 22370 22400 23150 22070 22670 20460 24090 23730 22820 22830 23540 4-Oxoproline 1056000 1071000 1075000 1095000 1052000 1045000 1372000 1395000 1418000 1382000 1398000 1384000 976300 995100 1011000 1012000 1015000 1005000 1192000 1188000 1188000 Valylisoleucine 52680 50340 52310 51820 49420 52580 61080 58340 58910 61170 59100 58830 29460 29360 33240 31830 30820 31620 52390 52390 51360 Isoleucyl-Aspartate 2658 2765 2940 1897 2510 2243 5662 6479 6799 6397 6078 5902 43520 41900 40710 39660 38130 41150 13670 13200 13200 Valylleucine 100900 98740 97060 103400 102500 94460 120700 120000 124900 123200 122000 120900 64460 67940 68100 67970 67550 71520 102300 101800 101800 Ensulizole 478000 455800 457100 462700 458200 452300 247200 254100 257600 250600 244800 240100 1001000 1020000 999800 1018000 1006000 989300 531600 530700 530700 Ketoleucine 178400 182200 182100 179700 179100 178200 231600 227600 235300 229100 241300 242300 191100 196300 187400 197100 204900 203900 210900 210900 212500 Deoxyloganic acid 21430 15140 14230 15040 18180 16520 15680 19370 20940 20160 19760 16310 92380 88910 100900 96340 104900 99850 38180 38180 37810 4-Methylbenzoic Acid 7209 6185 6777 6510 6610 6271 11800 12610 12860 14310 13680 13440 17440 18450 18760 18530 18570 18640 11560 11740 11590 Dehydrocostus Lactone 31220 30090 34230 33560 31820 33810 32110 32370 33010 30640 32060 33100 23690 22860 22090 24020 25240 23450 31940 31940 32400 Phenylpyruvic Acid 33400 32240 30080 28980 29670 29860 28270 31550 28500 29690 30860 27570 13720 13820 13200 12960 13960 11290 26790 26790 26490 Ethyl (S)-3-hydroxybutyrate glucoside 34680 35630 37560 33690 31070 29950 30700 27820 30780 29130 30080 32070 22380 20110 20140 20120 23740 24880 29380 28380 29380 Indole-3-Carboxylic Acid 29550 28700 29870 31040 29160 30380 39950 35520 37030 38270 36980 36210 22570 21500 24060 21570 23760 25020 30700 30710 30930 2-Cyclohexen-1-one 11300 14030 13210 12040 11610 10970 40830 39750 41470 44470 45410 43570 128400 123600 128200 125200 123400 128100 55100 55100 55310 4-Methoxycinnamic Acid 24410 23720 24940 23810 23920 25440 23000 26360 25760 23100 23740 23730 13680 11370 12850 14580 10820 14340 21110 21400 21330 N-(2-Hydroxy-3-methylbutanoyl)leucine 154800 165900 161600 163500 154000 151500 186300 185500 189300 186800 190900 190400 45540 42050 45420 44670 45810 45860 145100 145500 145100 Dehydroandrographolide succinate 129200 125400 140200 132500 124900 131500 39920 32450 30010 35250 44920 30430 0 0 1432 1182 2823 3338 60670 57530 58110 Abscisic Acid 13090 15260 15100 14950 13340 14620 21970 19790 23200 22570 22840 20950 71180 71450 69160 68870 68590 70600 32350 32350 31980 Monensin A 95010 73920 91460 77000 84270 71020 465900 442100 482900 445700 466200 441000 927400 925900 932300 936600 982300 931700 457900 457900 448000 Cyclopentanecarboxylic acid 61880 66550 60720 65770 64550 62610 55710 55860 55000 54650 60390 59790 68260 71330 71700 71300 72520 69900 65230 66730 66810 PI(16:0/16:1(9Z)) 241700 294100 291600 307900 316300 305100 1387000 1341000 1410000 1350000 1350000 1396000 1837000 1843000 1737000 1851000 1822000 1793000 1067000 1067000 1072000 12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid 24600 26870 23470 29210 26920 24030 19260 22150 21390 21020 25160 21620 19670 18800 17090 17730 14350 16370 22460 23020 22460 Notoginsenoside T1 115500 118900 136400 138400 128700 133100 857800 725800 746700 753900 769600 746400 1139000 1197000 1097000 1179000 1160000 1176000 646500 639200 643100 Hexadecyl ferulate 74400 78660 85160 74590 70640 81850 96490 89720 94150 90660 92980 98510 43210 44420 45660 45060 47380 41950 74270 70830 70810 Elatoside G 15910 18790 19500 15940 18470 21650 71950 49410 59680 64540 60180 57180 301700 317900 297800 334000 329000 326800 94820 94810 88840 Mukurozidiol 750500 760700 775300 736200 732700 757100 716700 704700 693400 700900 703500 711300 59640 62100 59930 61070 61060 60550 559400 554600 554700 2'',4''-Bis-O-(4-hydroxycinnamoyl)astragalin 218700 233900 234900 225600 226700 228700 280900 260900 252100 265800 259200 279600 32550 34870 25640 24040 37570 29730 167600 163400 163400 (R+)-3-(4-hydroxyphenyl)lactate 136500 138900 143800 141800 145800 145400 46790 45620 43760 43720 45970 44240 8200 6689 9040 6991 7454 7144 66570 67800 67790 Xi-3-Methyl-3-cyclohexen-1-ol 60770 59560 56370 63380 63500 60390 66760 63020 63810 67640 71960 63070 76010 79880 78260 80650 81480 77920 65320 64430 65300 Benzyl butyl phthalate 139600 138800 150200 131400 132400 140600 52820 52840 54120 53960 57640 55680 1673 2841 2376 1942 712.8 1308 67280 66290 66280 Aflatoxin B2 270800 266700 276500 273800 285100 266200 279600 270400 286500 282400 283000 275800 115800 112100 116600 124300 118500 122800 230000 224600 230100 20-Carboxyleukotriene B4 1180000 1168000 1198000 1205000 1175000 1162000 1801000 1743000 1790000 1776000 1812000 1817000 416700 429100 420500 417700 443800 420800 1177000 1176000 1175000 Diethyl Phthalate 74060 79330 76010 78680 78930 76790 110400 102300 101700 107600 107300 106400 90960 99360 92000 94460 93990 95800 95110 95110 94850 [6]-Gingerdione 394800 374800 389300 387100 392200 398500 324400 318100 334100 313700 321500 325500 231500 234800 243600 232700 233600 244200 317700 317100 316100 Isoprenyl alcohol 9765 8403 7890 11180 10270 10170 13860 14460 16530 12660 13180 13850 28700 29380 29050 31370 28440 30270 18680 18780 18680 3-hydroxypentadecanoic acid 351600 369500 366600 360900 356700 371300 654300 635400 658300 652600 648200 648000 438500 438600 439700 452200 437400 435000 496800 496900 490200 Corchorifatty acid F 2425000 2355000 2415000 2374000 2370000 2362000 2440000 2420000 2467000 2453000 2444000 2486000 2570000 2602000 2609000 2624000 2607000 2618000 2450000 2433000 2433000 Ginsenoside Rh1 29680 24170 24020 28700 22470 23590 188600 202600 197200 187300 178800 171200 471200 568100 499900 516500 498100 531000 220700 220100 220000 Alpha-Bisabolol oxide A 303800 300000 315400 303900 297100 305200 260200 258200 264100 263400 272100 260900 295800 304400 297600 297000 307800 301100 291400 291600 289400 Ginsenoside Rh8 1555000 1527000 1597000 1515000 1459000 1577000 3442000 3301000 3369000 3322000 3408000 3356000 3526000 3518000 3503000 3497000 3532000 3686000 2653000 2653000 2632000 Calanolide A 109900 110100 115500 107500 108700 113500 80100 91320 90310 92240 91300 97260 11270 8707 6032 8560 5433 11060 65730 63610 63630 11-Hydroxyandrosterone 1029000 1010000 1041000 1008000 1010000 980000 1852000 1834000 1818000 1863000 1833000 1840000 661800 649800 674300 659900 659400 652300 1179000 1179000 1167000 Zingerone 51960 47340 53490 46830 50340 52920 44500 54230 48430 44660 46700 43770 37860 40570 41830 41980 38030 45230 46790 47600 47590 Ethyl pentyl ketone 12350 11380 12290 12620 10170 13620 12550 14690 15270 15220 12970 14610 26340 24170 26000 25780 25270 25040 16640 17160 16650 Prostaglandin D1 584900 553700 583000 577300 556800 551300 558700 547000 570300 544100 580900 536800 563800 573600 589100 596100 573200 592500 569600 569600 566100 P-Menthane-3,8-diol 599000 613600 596600 593500 577200 557000 406600 401400 393300 409100 402600 410500 169300 177500 173800 160600 182100 158400 413000 403400 411000 Ecdysone 498000 487800 517800 473500 482700 473100 639500 620500 601000 589100 594700 622500 139600 134600 128600 127600 138300 129100 459100 454200 454200 3-Hexenal 63580 60840 64060 62760 66200 65170 70530 69980 70590 69950 70270 70280 94940 89410 87110 92240 94100 90040 72770 75730 72770 2,3-dinor Prostaglandin E1 870100 882500 911200 888200 884600 884100 846700 797900 827500 838000 830000 805500 851900 869200 880700 861700 879400 877200 930500 926500 926500 Nigakihemiacetal B 125300 115100 131300 132700 125100 124100 90260 89890 96900 91130 114700 83640 63380 63860 62930 67320 71160 68370 105300 97580 105300 1,4-Pentanediamine, N4-(5-(hexyloxy)-6-methoxy-4-methyl-8-quinolinyl)- 103900 95730 124800 110100 111800 102300 150200 159800 142700 144900 157700 149900 112800 119900 132400 114500 135200 129900 137600 137800 137600 Spinasaponin A 219600 206900 203600 185000 171500 226200 813600 785400 854900 908900 874100 877300 2136000 2155000 2168000 1996000 2140000 2222000 909300 902700 909300 28-Norbrassinolide 192600 189300 203400 205800 191400 185600 219200 235100 207100 225000 232100 234700 140600 163500 164600 155400 153500 143500 194500 190800 190700 (3S,6E)-Nerolidol 237300 227200 237600 233100 227400 228000 156700 163100 156500 166000 159700 154800 232400 229700 231600 233800 222200 225700 204500 204400 200600 3-trans-p-Coumaroylrotundic acid 170000 176200 153100 152900 160400 162400 275900 253500 245300 269900 259400 242600 14540 9357 22690 25420 15840 23640 160100 156900 156700 AVOCADENE ACETATE 292200 277400 290100 279300 285700 275500 325400 317800 317500 338500 317900 319600 224300 229500 247200 218600 232100 220700 276400 285500 276400 PE(PGJ2/18:1(9Z)) 24530 10130 28900 19480 27750 39640 109200 127500 123800 101500 118100 97740 329600 362000 369600 342600 334400 320700 127500 124400 124400 Melilotoside B 185200 200800 195600 187100 188500 176100 288600 231500 299200 315200 271200 285300 418500 443000 502900 451400 442700 458900 292500 302500 288100 Ethyl glucuronide 212500 214600 230400 220100 197600 221000 287800 275500 278200 303900 313500 277300 461100 461400 420700 421900 448600 443500 280300 281900 281900 19alpha-19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid 3880000 3884000 3695000 3821000 3699000 3741000 5350000 5267000 5024000 5513000 4935000 5174000 2290000 2137000 2203000 2412000 2361000 2114000 3826000 3790000 3790000 Diethylpropion 237100 229600 231000 237100 240100 235500 212300 219000 228900 225700 228300 209600 257100 245000 260600 244600 248400 252600 232800 233500 233500 Docosanedioic acid 89710 84260 90540 92770 78220 86940 42710 40090 39010 36500 49040 42400 44130 39080 36530 42940 45440 35400 53000 54830 53000 18-Dehydroursolic acid 3-arabinoside 630300 614900 648000 608700 610500 565900 423600 412500 365400 438800 368300 390300 55950 38760 47570 40540 23380 53010 390900 373300 391200 Sugeonol 224400 202000 200800 208500 212700 206500 146000 142100 123500 171900 132700 145600 132400 125200 125100 136700 142600 144300 178500 171100 171200 Echinocystic acid 639300 666800 656400 628700 621500 605200 421900 386600 372500 427900 390800 394300 352700 317500 307900 356000 332600 321400 465900 460400 462700 Carmofur 170600 163300 153500 157200 154700 139000 195800 184400 176300 200200 194300 201500 24600 19960 32660 21680 23720 20220 136200 125600 136200 24-Oxo-1alpha,23,25-trihydroxyvitamin D3 188300 196800 188600 178300 187300 190900 174500 160700 152300 167700 161500 167000 43240 40430 50090 34300 39180 56740 153600 149700 149700 Algestone 5936 16420 12840 2337 7071 7958 150500 131600 134400 152200 132000 137800 14600 18560 16820 21440 21770 19220 75610 73730 73690 Tetradecanal 100100 106400 90240 89760 89740 98150 115900 115100 110700 118300 128700 104400 109300 110600 105500 111900 110200 103700 106800 109600 106800 1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3S,8S,9Z)- 124900 128700 133200 131500 124000 129000 72580 75500 86720 85140 67810 69860 28880 26250 24370 24560 22080 24200 91750 90070 90050 Pentadecanal 308900 310600 312700 307700 299700 309100 291000 276600 292400 294700 295000 297000 362600 354500 368600 371900 357900 388400 304800 297200 304800 Carbenoxolone 344500 306100 302300 332800 316700 308800 165000 181500 166900 205800 183700 163400 313500 333800 319000 335000 306600 333400 279000 278600 279300 (2'E,4'Z,7'Z,8E)-Colnelenic acid 1712 1033 3534 978.8 3682 2280 10800 10100 6753 11020 9583 3842 56400 49750 46600 42820 51180 50240 16040 15190 15280 (R)-2-Hydroxystearic Acid 130700 119600 115600 121500 104600 109300 72950 78040 73180 80390 83820 74780 85890 87530 82960 87700 78170 89700 98190 94690 97860 Gamma-Tocotrienol 65520 60800 70810 51990 56430 64670 91050 91820 78450 89750 112400 110900 207600 187100 199600 185100 184900 222200 109600 106100 106200 Dipropyl-5-CT 1061000 964800 1044000 1015000 1001000 1007000 1131000 1120000 1108000 1137000 1191000 1174000 368100 325500 346300 350700 356300 340900 895500 885800 885700 Doxercalciferol 85160 106200 121200 102000 104500 109500 78250 79640 76430 94770 91330 83660 137300 151300 144900 169200 149700 137600 107000 94770 107100 18-HEPE 1546000 1548000 1531000 1518000 1479000 1549000 1723000 1580000 1587000 1654000 1700000 1608000 987600 944000 990200 1035000 1002000 985500 1403000 1404000 1361000 Pomiferin 8852 4207 2437 7602 0 4961 141900 127300 124800 138000 130700 122600 0 2294 2122 6108 0 2457 57290 58440 57310 Linoleic acid 110500 113700 109800 106400 100300 108300 543700 508200 540200 615400 556800 568300 227500 243700 229700 273400 239800 244800 417300 417300 426700 27-Hydroxyisomangiferolic acid 435800 431800 458900 450100 410300 390400 290300 267400 252900 282100 270800 287500 386800 426000 423400 434700 409700 433400 345300 336900 336900 Trehalose 1860000 1943000 2046000 1873000 1939000 1948000 2489000 2584000 2601000 2534000 2717000 2541000 2816000 2724000 2691000 2686000 2680000 2714000 2319000 2308000 2307000 3beta-Hydroxy-5,7-androstadien-17-one 42920 41170 46800 39360 39750 27350 99540 120700 87830 98430 117200 105700 23.58 2.647 0 0 7.873 0 41030 42080 44230 Dodecyl Hydrogen Sulfate 489900 505300 507300 543900 533900 511300 384000 366400 367900 332900 368200 388200 390600 399100 443500 398500 401500 429600 468800 463700 456500 Uridine 21570 27360 25550 20190 22180 24370 40550 42640 43600 35020 42520 43230 84680 79660 93790 84900 88160 85780 44030 45040 44030 4-(undecan-5-yl)benzene-1-Sulfonic Acid 847000 869700 818400 849300 861800 818800 941200 923800 911800 890500 917600 855000 885500 881900 952300 956900 880400 1003000 973200 952600 952800 4-Decan-4-Ylbenzenesulfonic Acid 884900 835000 758100 795000 816800 830000 878800 903000 960100 947400 900700 876100 962900 921900 952200 1002000 994700 980900 966200 968900 968900 2-Dodecoxyethyl Hydrogen Sulfate 162400 141000 144700 149400 154700 150900 108700 114200 111600 121100 107800 104500 167200 163900 167600 183300 172700 163000 160100 160100 161500 Bufotalin 144800 138600 134400 146400 135800 140800 107100 134300 113900 108800 104100 120000 115000 127600 128500 108300 108900 120400 95160 92280 92390 Rehmannic acid 263000 270700 269100 268000 256700 270900 150300 169200 140200 149600 174500 141100 29780 14210 32940 35910 34290 25680 141000 141200 138000 Furohyperforin 260700 277600 269800 256300 267600 278400 182700 192400 180000 205400 204800 178800 244100 243500 271700 242400 275200 249100 205800 202000 201200 Leptomycin B 111400 108400 114300 88360 99770 93630 72320 75980 62940 71340 79300 69400 126500 147600 129200 147200 122100 134200 94340 86600 86590 1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione 2808000 3064000 2500000 2600000 2560000 2482000 2346000 2358000 2102000 1843000 1845000 1748000 2734000 2977000 2599000 2299000 2146000 2126000 210600 188700 189500 Falcarindiol 405000 370300 381200 382000 359200 417900 235300 247100 228000 224400 223900 217300 73240 52260 42590 59920 70330 59990 257500 255400 257500 Arenobufagin 7034 2600 2754 2210 0 2681 119800 115200 126100 168700 119800 114800 5285 0 2298 3036 0 0 55480 55410 58740 PA(20:4(5Z,8Z,11Z,13E)+=O(15)/20:2(11Z,14Z)) 455200 427800 490400 436400 447900 436200 315900 271000 266600 316500 315100 301600 122900 120800 139100 144500 124800 139000 293600 297300 297300 NORETHINDRONE ACETATE 11230000 11470000 11700000 11380000 11120000 11120000 11090000 9694000 9513000 9541000 9800000 9526000 11300000 10960000 11090000 10950000 10970000 11340000 1651000 1634000 1634000 Palmitaldehyde 118200 105700 114200 121400 106800 109500 118000 119700 113500 117600 126400 119500 126700 122900 138600 140000 135600 134700 120700 117100 120800 Soyasapogenol A 931200 835100 902300 890600 821100 875800 501900 455400 482300 484200 476100 460800 844500 888800 870400 943600 866800 888600 720200 692000 691900 Medicagenic acid 399600 382700 391800 376700 376100 375800 318500 321100 295300 323000 334600 307400 169300 155000 161400 177000 167000 147900 309300 304700 304700 6-beta-hydrocortisol 218400 204900 184200 185000 186400 183300 123100 126800 119000 122300 131800 121300 46910 37090 52180 48640 51310 44860 135000 129700 130600 4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol 259200 261500 268600 249100 245800 287400 276200 245900 284900 277300 308400 259600 290600 310300 303800 303800 333000 324300 276600 268900 269000 Mahanimbinol 142300 105000 110400 115300 104100 99900 153600 142100 180300 160100 151200 164300 59470 75680 65030 58490 68380 53770 90370 90350 96870 Scyphostatin 379200 386700 380100 360500 373000 377900 526600 490100 468100 552700 510100 477900 1185000 1138000 1199000 1258000 1226000 1210000 602900 588700 588800 Boldenone 533000 514900 544200 508700 492900 540200 567800 586900 532900 548900 532300 535300 123300 92090 96960 108400 106600 135900 428700 420300 420400 Lauroyl peroxide 78700 85370 83060 67460 75150 73480 30190 37160 31330 40180 32410 24280 36640 29140 34340 36110 42140 29310 48200 49070 48160 Arginyllysine 2487000 2336000 2355000 2371000 2307000 2435000 2836000 2749000 2756000 2760000 2756000 2781000 723200 651400 696500 676500 733600 657600 2124000 2112000 2125000 3-Indolebutyric acid 0 0 0 0 5633 0 0 0 0 0 0 2341 342500 315600 348500 355200 351000 357000 54490 53690 53700 Frangulanine 32150 61250 30430 31270 33310 39120 60280 56390 54590 36380 60880 61960 200800 220000 212300 220900 184600 215300 88930 86700 86660 Leupeptin 225500 212600 220200 200800 212200 204000 276300 263500 250300 268100 283200 259900 267100 264600 288600 287100 276900 287400 239600 238100 238100 PA(PGE1/P-16:0) 394400 419500 381600 384000 413800 426400 274600 247800 227000 267700 234900 249900 255800 297000 286100 295500 278200 283200 320500 312900 314200 3'-thiacytidine 250600 246300 252300 245300 267800 253700 248000 258500 257700 252700 259100 261800 228200 238000 239300 233600 242700 239400 253300 252700 252700 11H-14,15-EETA 306700 328000 306200 311800 308800 317800 1029000 1012000 1026000 1041000 1038000 1031000 192100 190100 197400 206200 179500 192400 559000 555000 559000 3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al 51490 40700 38080 31530 32510 40480 309300 306600 327400 314100 312700 308200 15800 20040 21760 26890 14820 11120 138900 136700 138400 3-Hydroxysintaxanthin 65220 44890 71120 53110 44050 45680 731100 656600 726800 677500 616200 645300 69350 83560 115300 99310 113600 117700 362100 382600 382500 Jervine 77770 88810 80940 80440 85670 91110 90360 89990 96580 110200 104600 103800 81550 74100 62920 69940 67300 76090 93380 88070 93280 Pyrrhoxanthinol 7546 0 7860 0 10440 0 11310 35170 22630 11240 24510 25910 222300 210700 204700 213200 218600 203700 53360 53370 55450 19-Oxotestosterone 838500 875800 891200 837600 861300 884900 1013000 960300 953200 939200 927600 973500 116100 96760 102500 102000 98950 94830 667800 690000 667800 Perfluorooctanoic acid 336600 333300 333300 298000 316600 342800 280900 274700 273700 282300 298800 269200 236600 234400 236900 239300 239800 227700 286400 286500 290400 1,2-Anhydridoniveusin 664500 645700 653300 647700 660700 617100 294100 296700 285900 297700 294500 287700 745100 734700 751400 764500 763400 726500 518200 513000 514500 11(R)-HEDE 56750 50100 40500 50270 51380 48040 38950 37170 37770 43290 31400 45170 79980 70300 70650 68150 73450 57450 50710 48490 50710 (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 1532000 1517000 1514000 1539000 1498000 1528000 1776000 1752000 1716000 1853000 1758000 1724000 2121000 1930000 2012000 2087000 2111000 1995000 1709000 1709000 1716000 Arabinofuranosylguanine 155700 148300 163100 153000 153400 154200 226600 222900 243700 225800 229900 223900 205700 195000 195700 207700 213500 208000 200600 198100 198700 Arbaprostil 37040 44470 30860 32350 39750 35860 67690 66460 57060 67380 60880 63330 182600 193300 192000 200600 187800 188400 87520 86230 86230 N-OCTANOYL-L-HOMOSERINE LACTONE 577600 576500 554200 530400 536800 515900 686700 654300 652300 687400 632400 671200 264700 288000 298800 298600 278100 256900 532500 532800 515700 PG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/20:3(5Z,8Z,11Z)) 6785 0 3029 0 2920 3475 191000 205300 225700 185600 187800 186100 1387000 1307000 1376000 1211000 1254000 1250000 390300 398200 389300 Notoginsenoside J 3109 6615 6738 14930 3470 3272 248600 256400 282600 253100 241300 228900 1597000 1571000 1591000 1707000 1631000 1723000 504400 495700 504500 Tetrahydrocortisone 222500 218700 216300 210400 235300 215500 217200 222700 242200 229700 225500 226200 405100 404100 417500 425900 418100 389300 271500 264000 264100 PGP(18:0/16:1(9Z)) 66180 100300 111500 102400 109600 123000 310600 313500 295300 324700 284900 320100 1207000 1327000 1342000 1212000 1228000 1233000 468500 473400 468500 Prostaglandin D1 Alcohol 104000 100100 99080 96800 95470 101900 100900 97480 87190 105300 93200 115000 131400 124900 123700 140400 127400 130800 107300 105500 105200 Strophanthidin 34200 31520 34280 40320 36460 48790 180400 179900 169700 170900 169300 181600 48810 46680 42950 47510 42390 33960 93900 93910 90730 Geosmin 59100 60960 63610 60400 57730 55280 158100 161100 164600 166400 164000 174100 422700 411900 416400 418000 426500 420500 190100 190100 191400 (3S)-3-hydroxycyclocitral 546700 529000 543400 542700 540500 526200 586200 572600 571800 601600 570900 578200 680600 660800 705700 676700 676700 670000 529100 525000 525000 5,10-Pentadecadien-1-ol 320700 313600 309400 323500 309400 313100 310600 309400 318700 319400 306900 316500 465700 453400 461400 451600 457700 446100 355900 355900 352800 (17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione 577100 535600 554100 559700 537700 537700 796800 776200 760200 832000 809700 798800 273700 271200 278900 272500 273300 258700 589800 576500 576400 Cannabigerolate 53860 50730 64470 57080 45750 45830 186300 187600 207500 190500 191900 194400 482900 504700 501400 502800 511200 497300 216800 213700 216800 5-Hydroxyindoleacetate 42990 43300 43940 41070 41980 41640 34800 38350 38620 39710 40530 41770 53800 56070 56530 55500 57010 56110 41960 41970 42510 2-Methoxyestrone 345000 362900 375900 383700 352400 343500 398300 425900 412000 424400 393500 424100 84690 75650 78920 81760 74800 84720 309500 314000 314000 12-Hydroxydodecanoic acid 1062000 1068000 1080000 1095000 1010000 1025000 723900 726000 701000 764700 762000 731700 742600 740200 762500 747200 735600 715000 859900 848500 848500 Majonoside R1 9277 3866 6406 5729 10420 3648 457600 466200 509500 475800 446700 428100 3225000 3235000 3307000 3401000 3139000 3226000 967400 967400 948900 12,13-DHOME 159800 156000 169400 148400 149200 166400 120700 124500 121500 124100 106500 102800 126100 115400 118900 134100 128300 105700 142800 142900 140500 Floionolic acid 2131000 2077000 2135000 2139000 2085000 2061000 2658000 2653000 2696000 2759000 2747000 2737000 2986000 2930000 3036000 2957000 2996000 3012000 2583000 2570000 2570000 Dodecylbenzenesulfonic Acid 9121000 8518000 8470000 8373000 8212000 8204000 8126000 8378000 8229000 8378000 8519000 8368000 8648000 8710000 8824000 8547000 8549000 8947000 1874000 1858000 1868000 Pulegone 25710 29480 28570 26140 25840 30040 35470 36750 38520 36480 32150 41150 75810 76610 81770 86960 83320 80110 42580 43870 43880 Mono(glucosyluronic acid)bilirubin 277300 304800 299000 295200 283400 297300 28060 37060 28580 37070 34650 52670 368200 353700 392500 358400 388800 400700 219400 215100 219400 Narirutin 551600 515800 551100 558800 544900 541200 97230 98290 81130 94520 98980 88480 486200 457000 470800 492300 488000 517300 352300 345700 352300 (S)-10,16-Dihydroxyhexadecanoic acid 738100 725400 746500 737800 722800 735800 723700 729200 716500 741900 721000 717100 2458000 2425000 2483000 2462000 2469000 2473000 1210000 1210000 1199000 Hexylresorcinol 891000 867600 884600 913100 907300 838400 950700 910200 939500 936300 958100 940400 611400 622500 635200 609100 632200 613200 813900 814000 786000 Testosterone 998000 972600 979300 989200 973700 958400 2500000 2431000 2406000 2543000 2457000 2486000 536500 537500 507200 535800 538200 562600 1425000 1417000 1417000 Neocnidilide 182300 180600 180500 187200 182500 182000 182500 179000 177000 174600 171300 177000 173700 173100 181300 172300 168200 177700 176900 176900 178500 Vinaginsenoside R13 4768 8719 3349 3872 0 0 205200 190200 214300 190900 186000 198500 1401000 1444000 1378000 1430000 1409000 1400000 388500 390000 391300 Suberic Acid 89580 90190 92830 87060 81310 96430 84390 75480 74050 74010 75190 76630 58840 52700 49450 53150 50880 67010 83410 82260 82250 (1R,2S,3S,4R)-p-Menthane-2,3-diol 227900 227100 231000 217400 211000 222400 138200 148500 138700 130200 134400 134300 52870 35480 51200 44660 46620 44930 142100 141300 141200 Nandrolone 189800 197200 212500 212700 196200 212000 323700 313000 327600 333600 305400 306200 60300 51900 57270 56620 54720 57780 204100 204100 201600 Hippuryl-histidyl-leucine 96480 100500 107700 84040 85310 86330 131200 119200 135300 109500 112000 126100 12280 10840 10780 13660 13150 12290 79780 79790 78750 Cis-12-Oxophytodienoic acid 75100 77720 79510 73980 78960 72260 140000 147500 143200 145100 149700 142500 24890 26920 25310 27080 26680 26820 86380 83950 86400 (10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one 205500 214300 220300 219400 219100 219000 197500 184300 190500 201200 195900 186300 145400 154500 153400 143000 151500 154800 188700 186000 192300 2beta-Hydroxytestosterone 1364000 1345000 1366000 1350000 1346000 1336000 2819000 2768000 2776000 2838000 2836000 2806000 681100 685400 688400 674400 687200 688100 1656000 1656000 1639000 9-Oxo-nonanoic acid 161500 168300 164800 162700 165500 167800 169400 169100 173600 172500 169500 171500 206900 201200 207500 208000 202800 207400 175200 177200 177200 Ginsenoside F1 1929000 1927000 1984000 1893000 1795000 1899000 6875000 6717000 6914000 6427000 6935000 6923000 15130000 15730000 15360000 15470000 15370000 16020000 7572000 7551000 7498000 Dynorphin A 1-8 2954 0 3664 0 4286 3384 140300 125900 158100 154200 170800 135500 1050000 1028000 1177000 1180000 1118000 1129000 306000 299700 299500 1,4-Cyclohexanedicarboxylic acid 142800 142100 139500 142500 137900 169000 149000 144200 145500 139100 141000 138500 132600 134900 138000 133500 137400 165300 144000 146800 144000 Triamcinolone acetonide 21-palmitate 4026 0 0 4984 2069 2718 69160 75440 69650 78120 73700 80410 465700 437900 451900 449800 466700 436200 139100 136200 136000 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid 287400 302700 318300 309200 292500 306100 298000 299200 306300 295700 309500 311000 172600 180600 173300 178200 174000 181500 267100 267100 266200 Tragopogonsaponin A 6679 0 0 4420 591.7 0 14930 25660 40470 25310 41580 26410 309300 342100 324900 320800 317900 331500 88770 92040 89910 Thromboxane B2 371100 383900 403200 387000 371500 384900 373600 363700 377900 370800 381700 377300 348800 359100 363900 351400 366700 353700 373300 371200 371200 9,10,13-TriHOME 7017000 6996000 7099000 6937000 6967000 6970000 7273000 7170000 7147000 7227000 7258000 7239000 7086000 7026000 7042000 7248000 7168000 7219000 7193000 7095000 7094000 Bolandiol 253700 252200 260600 245200 247200 247800 233500 224500 234100 230600 241500 242200 39080 36780 35910 34930 35330 35730 178100 176200 176200 Artemorin 50050 49570 49620 46170 50370 49360 38660 39480 36720 39510 38620 36920 22010 21290 22710 20530 21940 23140 36600 37220 38820 Rishitin 933500 938300 948200 903300 892700 881500 1021000 938400 975600 977400 991900 986100 501700 540300 522000 523200 554800 536700 816800 810600 810600 Vinaginsenoside R12 10450 2332 7586 6435 3117 4274 79410 100600 90330 101600 98140 102000 487600 502700 524600 535900 493500 495700 170500 163000 163000 PS(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/18:0) 347700 302900 363500 343000 318300 335700 1120000 1015000 1093000 1046000 1137000 1122000 3462000 3480000 3587000 3602000 3544000 3688000 1384000 1367000 1366000 Notoginsenoside A 294700 303200 332700 307500 328800 311200 700900 615800 657900 638100 645500 734200 1452000 1521000 1430000 1432000 1480000 1585000 844800 825400 824000 2-Hydroxycineol 74050 67620 69900 66090 70210 72610 83220 80110 81810 78700 75320 78390 52080 52140 51540 47420 48500 54070 67020 67130 66930 Nigericin 20680 18270 24800 23800 15240 17640 62810 61450 55030 62400 62130 90790 410300 404100 397200 421700 444200 458300 149300 157400 149200 Cinncassiol D3 556800 569500 587800 577800 563500 574400 1000000 977700 981000 1000000 980900 993300 325500 348400 344900 336800 337600 351700 648700 645300 645300 Ginsenoside Rb1 687500 641500 673000 652000 646600 616200 1544000 1402000 1386000 1419000 1460000 1417000 3609000 3674000 3471000 3506000 3712000 3827000 1969000 1918000 1916000 Lexacalcitol 89580 78740 83030 81630 80060 87910 167800 145700 151900 163000 150800 144000 104900 80580 84710 90900 88550 103200 108600 106000 106100 Coniferyl Aldehyde 442500 437500 454600 455300 464900 451600 204200 204600 197800 211800 210600 210300 78780 72820 79680 72760 73170 74800 248500 248500 253700 Ginsenoside Ra2 66150 54260 64700 61920 68380 64890 335100 313000 311100 330000 330500 345000 562200 584100 521100 559900 623600 639800 327400 327700 313700 Majoroside F6 7761 8419 11170 7835 15240 31260 517300 467000 536000 504600 462900 490600 3500000 3572000 3442000 3248000 3653000 3266000 1062000 1062000 1059000 3-Hexen-1-ol 18930 23290 21920 22270 21920 18810 37480 41530 38540 40270 41300 38300 79250 83790 77770 78000 76670 82710 40770 40770 41530 2-Aminooxybenzoic acid 25140 25990 27000 27530 27230 26340 20050 20500 20530 21590 21790 22970 14620 17030 17170 15910 14930 15350 19540 19540 20140 PIP(18:0/18:1(9Z)) 14400 15880 9910 0 12700 10670 286200 296400 291400 279000 308000 283500 1149000 1149000 1150000 1141000 1203000 1073000 409300 398500 409700 Ferulic Acid 28680 27550 30150 27310 26960 30100 11760 9970 10090 11640 11790 10440 7473 7253 5664 5665 6137 7372 14740 14730 15200 Mono-(2-ethyl-5-carboxypentyl) phthalate 47260 47910 51280 44010 47310 48180 17800 14030 14770 17680 16430 16810 3904 5131 3790 6104 3524 4456 24320 23510 24050 Ginsenoside M7cd 12960 24090 24300 20250 20160 26490 229900 259300 284100 252700 241700 236500 1385000 1375000 1410000 1368000 1457000 1381000 456300 454400 454400 PG(i-19:0/PGJ2) 19250 25000 21260 15830 36930 24470 110500 92660 92840 109900 124600 117300 407700 472800 442500 434700 454000 471400 171700 168500 171800 Mabioside D 16780 10850 11760 21470 15600 6978 433700 443600 464300 418800 432700 424800 1579000 1600000 1671000 1593000 1760000 1633000 573200 571600 571600 Sulindac 549700 569100 567600 573200 551000 573800 576600 555100 546300 563700 562500 564200 467200 515600 501700 461000 477300 483800 537600 527700 527800 Azelaic Acid 378500 378700 375600 371800 366800 401800 390000 378500 369200 353700 357600 356300 312500 313900 300300 298500 293000 344400 388600 388600 384600 5-Deoxykievitol 87300 84190 92280 86980 92300 85110 13590 15610 11800 13990 11830 10790 8510 7590 9163 6534 9146 7348 38230 39830 38220 Cibaric acid 789500 815800 848300 827100 831900 835800 758400 746200 738400 770500 789600 786000 313400 315600 311000 310700 332100 327100 664800 662700 664800 Sebacic Acid 116200 121200 125100 122400 126100 130600 129300 118400 124200 122100 114900 116700 106800 108500 103800 104800 104000 112300 121000 120200 120200 1-Methyladenosine 127800 127700 143800 149500 150900 140800 157100 138000 150900 149200 138100 143900 126200 127700 123600 130600 126900 131200 137700 137700 141400 L-2,3-Dihydrodipicolinate 54620 55500 59600 63760 58120 59700 57380 56620 55030 57730 57410 57660 50610 51960 50890 52410 48620 53650 57040 57060 58430 Notoginsenoside C 33370 40680 39380 46180 40680 42440 64050 50840 54650 54670 49180 62190 213000 222300 211100 205100 205100 190600 99550 96430 96430 2-(Trifluoromethoxy)anisole 544800 557000 556300 591000 573400 537100 599600 590200 597000 617900 614900 650700 358200 342600 364100 371900 391600 376800 563400 564700 581500 Neocnidolide 14800 14920 15610 15000 17310 14500 35110 33840 37650 36490 33640 34360 207500 204000 208900 207000 203800 204900 76100 75760 75950 2-Methoxy-5-nitrophenol 153000 155800 160900 159800 160900 157300 163400 162300 161300 164300 162400 160700 178400 173200 178400 182900 183300 178000 164100 165100 165100 Phenoxyacetic Acid 23730 23830 24610 22960 24220 23450 26990 26710 25900 28590 27020 26870 23230 23980 24430 23740 24230 23170 24490 24850 24850 Acebutolol 8808 11490 10120 9143 8156 8005 11210 10420 12950 12370 12350 10870 95180 87510 82930 87300 86940 86230 31610 30710 30480 12-Hydroxyjasmonic acid glucoside 38660 41060 38580 43550 35200 32460 57270 50410 60530 52860 57980 58840 196500 196000 195900 191000 201900 191300 87120 88590 87110 Cinncassiol A 0 768.4 866 880.5 0 874 4325 5931 3954 3571 5438 4954 86590 93500 81870 92040 90110 85460 23200 22560 23200 Acetyl-DL-Leucine 42690 44760 45310 44050 42480 44960 30770 28700 32740 31030 30670 27470 20290 23120 20930 21900 22200 23130 34020 34280 34030 6-Hydroxyhexanoic Acid 99120 102400 106800 106600 105800 103600 129300 129100 135100 126900 121600 124400 108200 103900 105500 108200 111400 105800 117000 119200 117100 (+/-)-Pelletierine 263400 265300 271700 263300 267300 266600 287000 285000 282600 288600 289600 275200 175600 177100 173800 177500 175600 171600 255000 256300 254000 Nonactinic Acid 15880 14600 16420 14850 15600 15300 22060 21390 24070 23030 23200 24990 53640 51950 52020 53820 52660 51620 27310 26430 27330 Leptin F 596200 596600 609900 595200 588300 580900 370500 340500 320000 336100 348500 328800 30700 37940 29530 36700 32200 33930 349400 349600 338700 N-Acetylleucine 27150 28130 27740 27710 26430 28780 23420 23380 22000 19790 24970 22060 15890 18380 17920 16800 15650 16720 23060 22540 23070 Phthalic Acid 193400 192600 186000 188200 185300 215500 202800 200100 190300 195700 191600 198200 194100 194500 185600 195200 186200 218400 202500 202500 201300 3,4-Dimethylbenzenesulfonic acid 425900 410900 419000 411900 418400 411000 66270 65940 63820 65750 65990 64910 113000 119500 120600 122200 121200 119700 215500 218100 215500 3,4-Methylenedioxybenzaldehyde 81060 84370 81580 82460 87130 81620 43020 42230 41330 42780 41130 42710 17600 18530 16340 20050 19200 19540 53370 52820 53370 5-(4-Methyl-5-Oxo-2H-Furan-3-Yl)Pentanoic Acid 30000 32750 31840 31860 32770 33320 15500 15040 15860 16200 14360 14350 16180 12280 13630 12570 14350 13170 20360 20860 20860 3-Hydroxybenzoic Acid 61030 67930 69880 61970 64270 66410 67040 68480 70610 68870 69280 65990 51410 51420 49870 52300 50430 51930 65260 65700 65260 PSOROMIC ACID 85150 83060 82780 82680 88110 83500 76420 80180 70840 70050 67920 75860 50900 44610 46890 49120 49790 50030 68370 68360 67100 P-Toluenesulfonic Acid 129400 123500 131400 127800 129000 121700 94520 101000 100600 99590 97860 98610 123400 119900 126200 123200 124700 120600 118000 118100 120700 Matairesinol 508000 506600 546400 562000 550000 515500 138900 120700 130800 132900 132000 135500 11590 12640 10580 9579 12880 12690 230200 240100 230300 Methyl 2-Hydroxyisobutyrate 43090 45360 45940 44490 47750 44940 53960 52890 54300 53620 57190 56040 35520 38920 37010 36590 40650 36500 48140 49080 48140 SM(d18:2(4E,14Z)/PGJ2) 386400 339300 398900 379900 357000 397400 747500 721400 669500 720400 735800 790600 2819000 2798000 2744000 2740000 2834000 2953000 1165000 1156000 1156000 Danielone 23440 20820 22940 22640 23700 22370 20100 16430 19060 20810 19690 17210 22600 20900 25040 24860 21290 23670 21200 21200 21330 Leucyl-Valine 61750 62660 62680 61050 63270 62180 74440 71710 78200 77130 74420 76620 41650 42350 44790 45000 40690 45090 65060 64720 64720 Threonylleucine 34240 28660 30880 32630 27270 34200 38600 40480 38660 38490 37540 40610 23920 20080 20210 21410 20250 18940 29590 29860 29860 2-Hydroxypentanoic Acid 41110 41220 36660 41580 39760 39690 46420 43250 43940 43160 43660 44280 34210 33160 35030 33340 34200 34890 39580 39580 40530 Xanthoplanine 551700 545900 562000 558700 553300 543200 105100 91070 96780 92470 84290 99310 68830 75170 71870 75380 72750 73730 245000 241200 241200 Acetylvalerenolic acid 288900 294700 302500 288700 306900 287200 748300 742700 722200 745500 753100 740800 211600 218900 210400 222800 223900 227100 430600 430600 424300 N-Acetyl-D-tryptophan 80400 77940 77860 82350 80070 75940 86960 83280 90880 89980 84750 91160 100900 100600 99590 98800 107700 99450 90370 90160 90370 2-Hydroxy-3-Methylbutyric Acid 95510 99150 99070 96140 97490 94520 113500 112400 118500 115700 114300 111400 55170 58970 59600 57540 60930 61390 97880 100500 100500 Licoricesaponin B2 789500 760100 801600 809500 751900 802500 2355000 2148000 2244000 2139000 2314000 2263000 3830000 3935000 3746000 3873000 3901000 4080000 2298000 2353000 2287000 Oxypurinol 91060 93820 96650 86100 93390 93520 88630 86630 92050 90840 85740 84990 129700 133900 134300 138400 148000 135600 116700 117400 116700 2,6-diamino-4-hydroxy-5-formamidopyrimidine 6646 5614 5664 4742 6374 6118 8940 8853 9833 9731 9118 8191 17930 18380 20110 17310 19440 20810 9529 8966 9534 FAPy-adenine 7972 8768 8214 7722 8728 8477 11780 14320 12740 12100 12270 13370 17600 18700 20250 20670 22430 21370 11290 11490 11450 Gibberellin A14 4218000 4187000 4255000 4237000 4158000 4191000 4677000 4692000 4590000 4855000 4738000 4766000 980600 954600 948800 959500 980900 973500 3327000 3319000 3311000 Maltotetraose 142800 150600 142300 128700 132200 134100 123800 139800 169900 136000 137000 130900 159200 165000 172200 185200 135700 150300 139700 145100 139600 DIDP 265400 258500 268000 277100 275300 304700 572400 575000 542200 543000 583200 578800 344400 325700 309100 303400 320500 313200 417500 412500 412500 Glyceryl 5-hydroxydecanoate 106900 104400 107900 109800 109600 116100 181300 185900 187500 185700 180200 187600 132900 132200 135700 136300 136000 141800 143200 143700 143700 Ezetimibe-glucuronide 12910000 13310000 13490000 12990000 13370000 13180000 13400000 13310000 13780000 13550000 13800000 13590000 11230000 11250000 11340000 10640000 11010000 11250000 12820000 12900000 12820000 5'-Methylthioadenosine 3659000 3680000 3611000 3504000 3675000 3802000 3459000 3296000 3549000 3350000 3618000 3490000 2898000 2839000 2966000 2809000 3010000 2986000 3366000 3409000 3410000 Peperinic acid 929700 954000 981500 980000 954600 943100 1261000 1220000 1254000 1259000 1227000 1249000 291100 276800 265800 285500 268800 284500 874800 872300 872300 Vinaginsenoside R17 534700 509600 517800 528200 542800 500100 1262000 1263000 1239000 1371000 1402000 1332000 4841000 4706000 4949000 4527000 4890000 4784000 1893000 1877000 1893000 20-Cooh ltb4 556400 546300 524900 539600 523300 519300 608500 606600 602100 630200 621900 632400 472100 454200 472200 447800 469000 442300 544000 536200 536100 Momordin B 1775000 1667000 1827000 1813000 1713000 1741000 3296000 3310000 3540000 3566000 3498000 3507000 12660000 12600000 12710000 12300000 12180000 11950000 4718000 4701000 4701000 Ginsenoside C 2114000 2043000 2190000 2172000 1983000 2200000 6555000 6070000 6416000 6085000 6504000 6815000 14900000 15110000 15050000 15310000 15250000 15810000 7226000 7227000 7122000 13(S)-HODE 2121000 2141000 2096000 2147000 2128000 2163000 2224000 2219000 2211000 2320000 2255000 2241000 3147000 2996000 3057000 3133000 3143000 2978000 2347000 2369000 2347000 15-HETE 355700 359600 340400 360100 363300 365800 335100 316600 330700 356100 328800 327300 311000 304200 311900 310400 326300 281100 324000 326200 324800 VIQUALINE 1580000 1435000 1370000 1389000 1464000 1395000 1678000 1536000 1514000 1632000 1576000 1548000 859800 677300 777400 678000 685000 632000 1078000 1062000 1060000 2,6-Dichloro-4-nitrophenol 390200 410800 403600 370900 377900 375400 425300 387500 390000 409500 385800 389800 425100 413500 467900 403300 432700 411800 390100 391400 401400 MJDBISSN00000009 82880 83750 88730 85010 90350 87750 86620 88200 94900 89750 91770 86450 69740 73060 71040 71680 71910 74720 87640 87950 88270 MJDBISSN00000003 9278000 9042000 9468000 9050000 8850000 9190000 8492000 8437000 8459000 8824000 8504000 8678000 7536000 7500000 7548000 7336000 7567000 7623000 8603000 8603000 8567000 MJDBISSN00000001 1313000 1276000 1363000 1264000 1388000 1365000 1303000 1380000 1360000 1343000 1393000 1361000 1223000 1245000 1257000 1234000 1277000 1304000 1378000 1377000 1381000 Ginsenoside Rd 10630000 10270000 10630000 10850000 10030000 10990000 28580000 28210000 29510000 28270000 28480000 28840000 66400000 66090000 65790000 63540000 66170000 67930000 33740000 33550000 33550000 Notoginsenoside T2 2208000 2091000 2119000 2112000 2062000 2056000 2728000 2601000 2502000 2561000 2523000 2610000 3033000 2943000 3019000 3168000 2924000 2998000 2347000 2355000 2346000 Ramifenazone 64820 48350 46660 68470 41260 49430 57760 75670 78240 64050 72550 85840 213100 225200 181700 208700 208400 231500 88090 86910 92090 (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one 273500 239800 251900 244500 246300 250400 515300 488600 488500 511000 497000 502500 1386000 1359000 1395000 1479000 1427000 1367000 655700 655700 650100 Lycopersiconolide 354600 404700 395800 379600 310700 388800 145600 64460 132000 121700 125200 103700 161800 106000 160000 165400 168600 197100 226700 238000 238100 9(S)-HpOTrE 3830000 3815000 3889000 3917000 3803000 3783000 4509000 4446000 4417000 4586000 4526000 4517000 2992000 3039000 3034000 3032000 3065000 3048000 3870000 3870000 3838000 Ganoderiol I 785400 733200 775900 727100 717700 727000 458000 416700 477200 460300 469600 431100 671000 621300 659800 714700 651600 652100 637900 612900 612800 Corchorifatty acid D 1165000 1158000 1195000 1169000 1178000 1168000 1345000 1344000 1315000 1351000 1330000 1317000 993800 1004000 1015000 978200 1038000 1016000 1200000 1200000 1176000 9-Oxo-11-(3-pentyloxiran-2-YL)undec-10-enoic acid 222100 221000 226800 217600 232500 204800 235500 234600 229800 250700 240900 236700 376700 353400 365500 350300 376700 361100 236600 235400 234200 Dihydrocorticosterone 59400 62210 60620 57590 62450 54020 530700 497600 531200 607800 553300 534500 93540 86650 93280 106500 83820 85920 308400 306100 312300 Ginsenoside F2 4073000 3927000 4031000 4021000 4031000 3990000 9783000 9850000 10330000 10200000 10120000 10020000 34850000 37150000 36890000 35530000 34970000 34590000 14570000 14630000 14630000 Isopetasoside 213700 211300 230500 219800 221800 223400 288300 277500 270000 289300 286700 278900 90160 110100 93700 87580 102000 95210 197800 195300 195000 Mutant IDH1 inhibitor 4842000 4801000 4697000 4715000 4716000 4721000 4054000 3994000 3832000 4079000 3866000 3843000 1230000 1191000 1241000 1268000 1259000 1210000 3520000 3520000 3484000 Chikusetsusaponin Ia 1670000 1800000 1788000 1745000 1695000 1737000 3136000 3195000 3370000 3401000 3122000 3176000 8040000 8709000 8517000 8665000 8476000 8155000 3914000 3952000 3904000 Ginsenoside Rh2(S-FORM) 7792000 7351000 7496000 7200000 7294000 7379000 13790000 13450000 13700000 13800000 13470000 13250000 31040000 30810000 31000000 32720000 31480000 31310000 16030000 15960000 15960000 4,4-Dimethyl-2-[3-carboxylatopropyl]-2-tridecyloxazolidine 3-oxide 78310 71400 74610 80850 77990 57880 121800 109700 102100 132900 113600 91710 222200 199200 230700 230500 211400 224000 130800 124800 124800 Nevirapine 64880 62050 68780 59010 67420 64690 57480 54010 55190 55020 60620 57970 3521 4552 4487 4837 2644 4098 45120 45120 44230 Ovalicin 105600 107100 112200 117200 124000 106600 107100 94310 102600 100300 104800 100000 85470 93420 83480 89020 87720 92660 104300 102100 102100 4-Methoxy-1-naphthol 392100 382500 424600 467300 461300 444300 96390 84430 92300 85380 87870 81010 1228 1068 1922 766.4 2230 645.7 173800 172600 172800 Vinaginsenoside R4 84690 92150 75230 92280 109000 94340 344400 287900 309000 305800 306200 303300 1190000 1386000 1218000 1337000 1245000 1374000 455600 455600 461400 1-Hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid 292500 284400 291800 293400 286600 293700 245600 247500 250900 258100 245400 243000 280100 255900 273000 278200 275300 279600 254900 257600 257600 ACRL Toxin II 381300 393100 394100 401200 376900 380900 632500 596400 626000 615900 629200 630100 209700 205900 207300 198300 199500 203800 411200 407900 411200 H-Tyr-gly-gly-phe-leu-arg-arg-ile-OH 103100 99130 107200 110300 129300 120900 431300 443900 446400 433000 443100 490000 1334000 1442000 1304000 1457000 1554000 1415000 634300 646200 646200 Ginsenoside B2 3429000 3708000 3682000 3852000 3791000 3466000 10900000 10720000 11030000 11420000 11060000 11610000 32750000 33490000 29950000 34340000 36640000 35160000 15730000 16080000 16060000 2-phospho-D-glycerate 2634 3326 2882 3550 3161 3648 2402 1388 758 953.6 2213 783.8 3534 3663 3039 2018 4033 4270 963.2 971.9 1136 3-Methyl-2-Oxovaleric Acid 806000 806900 829700 819800 809100 810700 1134000 1129000 1165000 1170000 1165000 1137000 1064000 1074000 1099000 1107000 1119000 1098000 1025000 1027000 1027000 4-Hydroxy-3-polyprenylbenzoate 22080 22370 25160 19930 21390 22340 58870 56340 57290 63470 58700 60160 15030 11430 12140 16000 14610 14370 29720 28770 29690 4-Nitrophenol 217000 231000 227000 220400 228200 216900 214800 217900 214700 221200 216400 218900 198700 193400 197800 201000 202200 198500 213900 218400 218400 4a-Methylzymosterol-4-carboxylic acid 30640 33110 32080 37450 31540 27730 102700 93650 81820 104300 80000 97490 325800 295100 305700 318400 306600 303300 124600 124600 122700 4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 830000 788100 790900 799100 785800 804300 660800 663700 653000 706500 666200 679800 492900 451300 447900 480500 461100 481400 663400 656400 656400 9,10-Dihydroxystearic acid 1321000 1278000 1316000 1328000 1297000 1325000 1422000 1451000 1429000 1485000 1448000 1464000 1379000 1380000 1370000 1389000 1382000 1350000 1398000 1398000 1390000 9,10-Epoxyoctadecanoic acid 9188000 8982000 9162000 9084000 9022000 9115000 10400000 10340000 10380000 10730000 10410000 10490000 11430000 11460000 11630000 11530000 11560000 11480000 10310000 10310000 10230000 Brassinolide 287800 281000 315100 269400 268200 286800 370400 347700 336300 360000 337200 343100 227200 222400 207100 208400 236400 239100 284700 281200 281200 Dodecanedioic Acid 79570 83120 82090 80310 80090 90460 107400 109700 108800 103500 102500 101400 82370 77160 79300 80490 81660 90690 98670 98660 93900 Ginsenoside Rf 1727000 1878000 1939000 1940000 1914000 1825000 8858000 8867000 9060000 9275000 8855000 9539000 30710000 31170000 27370000 31410000 33880000 31320000 12460000 13400000 13400000 Hexadecanedioic acid 1488000 1452000 1516000 1475000 1478000 1498000 1521000 1486000 1502000 1511000 1498000 1521000 1810000 1800000 1818000 1820000 1806000 1846000 1565000 1565000 1561000 Jasmonic acid methyl ester 47340 48480 53030 54300 53020 49390 55000 52220 54240 54560 52460 56900 42210 39090 40090 38040 37030 41360 49500 49480 50780 L-Glutamate 0 1191 0 0 0 0 1739 0 1248 1174 2061 1216 22430 22570 20880 19210 25790 24380 5116 6532 6539 Malic Acid 3876 2869 3415 3830 2911 2460 3782 5005 5808 3372 3440 4032 8082 8774 7010 6798 8736 7652 9705 9705 9899 Oxotremorine 337500 340600 379300 346900 358000 304100 348400 314900 296900 306700 335800 331900 140000 167500 130800 156200 143700 156700 277900 278300 266100 Prostaglandin J2 2045000 1848000 1828000 2007000 1884000 1783000 3192000 3022000 2757000 3060000 2854000 2881000 867000 647000 927400 603000 670500 695800 1990000 1990000 1947000 metabolite_name mz rt Sesamose 701.1921 0.6949 Verbascose 863.2458 0.6949 Raffinose 539.1385 0.7028 1-Kestose 549.1674 0.7028 L-Phenylalanine 164.0708 2.5631 4-Oxoproline 255.0619 2.7942 Valylisoleucine 229.1553 3.0448 Isoleucyl-Aspartate 227.1032 3.1323 Valylleucine 229.1553 3.2838 Ensulizole 273.0338 3.3718 Ketoleucine 129.0546 3.5828 Deoxyloganic acid 341.124 3.6124 4-Methylbenzoic Acid 135.0441 4.6079 Dehydrocostus Lactone 211.113 4.8475 Phenylpyruvic Acid 163.0392 4.9035 Ethyl (S)-3-hydroxybutyrate glucoside 275.1135 5.1268 Indole-3-Carboxylic Acid 160.0395 5.4658 2-Cyclohexen-1-one 237.1128 5.5778 4-Methoxycinnamic Acid 177.0548 5.6338 N-(2-Hydroxy-3-methylbutanoyl)leucine 230.1394 5.7938 Dehydroandrographolide succinate 553.2083 5.8579 Abscisic Acid 263.1287 5.8739 Monensin A 715.4287 5.8739 Cyclopentanecarboxylic acid 227.1284 5.9074 PI(16:0/16:1(9Z)) 843.4767 5.9674 12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid 343.2237 5.9735 Notoginsenoside T1 697.4179 6.0184 Hexadecyl ferulate 463.3069 6.0496 Elatoside G 709.3818 6.0496 Mukurozidiol 315.0875 6.0656 2'',4''-Bis-O-(4-hydroxycinnamoyl)astragalin 739.1684 6.0816 (R+)-3-(4-hydroxyphenyl)lactate 162.0314 6.1062 Xi-3-Methyl-3-cyclohexen-1-ol 269.1757 6.1062 Benzyl butyl phthalate 357.1343 6.1222 Aflatoxin B2 335.0521 6.1302 20-Carboxyleukotriene B4 365.1971 6.1622 Diethyl Phthalate 221.0814 6.1869 [6]-Gingerdione 337.1657 6.1869 Isoprenyl alcohol 217.144 6.1948 3-hydroxypentadecanoic acid 303.2176 6.2029 Corchorifatty acid F 327.2176 6.2029 Ginsenoside Rh1 637.433 6.2029 Alpha-Bisabolol oxide A 283.1913 6.2109 Ginsenoside Rh8 681.4232 6.2269 Calanolide A 415.1743 6.2349 11-Hydroxyandrosterone 351.2177 6.2429 Zingerone 193.0861 6.2509 Ethyl pentyl ketone 173.1175 6.2589 Prostaglandin D1 353.2333 6.2675 P-Menthane-3,8-diol 403.3065 6.2915 Ecdysone 485.2918 6.2995 3-Hexenal 195.1384 6.3236 2,3-dinor Prostaglandin E1 325.2014 6.3236 Nigakihemiacetal B 435.1989 6.3316 1,4-Pentanediamine, N4-(5-(hexyloxy)-6-methoxy-4-methyl-8-quinolinyl)- 394.2446 6.3561 Spinasaponin A 793.4396 6.372 28-Norbrassinolide 447.3119 6.4367 (3S,6E)-Nerolidol 267.1964 6.4446 3-trans-p-Coumaroylrotundic acid 633.38 6.4446 AVOCADENE ACETATE 327.2539 6.4925 PE(PGJ2/18:1(9Z)) 816.4765 6.5172 Melilotoside B 797.4704 6.5331 Ethyl glucuronide 503.1617 0.7028 19alpha-19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid 451.2855 6.5491 Diethylpropion 250.1446 6.5571 Docosanedioic acid 415.3066 6.6136 18-Dehydroursolic acid 3-arabinoside 567.3697 6.6136 Sugeonol 467.3168 6.6216 Echinocystic acid 471.3483 6.6614 Carmofur 573.25 6.6774 24-Oxo-1alpha,23,25-trihydroxyvitamin D3 467.2807 6.6934 Algestone 367.189 6.7254 Tetradecanal 257.2119 6.7334 1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3S,8S,9Z)- 519.3495 6.7573 Pentadecanal 271.2277 6.7657 Carbenoxolone 591.3284 6.867 (2'E,4'Z,7'Z,8E)-Colnelenic acid 273.1859 6.875 (R)-2-Hydroxystearic Acid 299.2589 6.875 Gamma-Tocotrienol 455.3167 6.883 Dipropyl-5-CT 633.4168 6.8989 Doxercalciferol 457.3325 6.9069 18-HEPE 635.4303 6.9069 Pomiferin 401.1424 6.9148 Linoleic acid 301.2171 6.9228 27-Hydroxyisomangiferolic acid 453.3375 6.9228 Trehalose 387.1143 0.6629 3beta-Hydroxy-5,7-androstadien-17-one 617.3862 7.0915 Dodecyl Hydrogen Sulfate 265.1476 7.5078 Uridine 243.062 0.8392 4-(undecan-5-yl)benzene-1-Sulfonic Acid 311.1685 7.7171 4-Decan-4-Ylbenzenesulfonic Acid 297.1527 7.6766 2-Dodecoxyethyl Hydrogen Sulfate 309.174 7.6686 Bufotalin 443.2474 7.2749 Rehmannic acid 551.3746 7.1871 Furohyperforin 551.3796 6.9627 Leptomycin B 521.3253 6.9308 1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione 485.2826 6.9148 Falcarindiol 519.3485 6.9069 Arenobufagin 437.192 6.9069 PA(20:4(5Z,8Z,11Z,13E)+=O(15)/20:2(11Z,14Z)) 807.476 6.8989 NORETHINDRONE ACETATE 339.1997 6.883 Palmitaldehyde 285.2433 6.875 Soyasapogenol A 455.3532 6.867 Medicagenic acid 483.3116 6.8591 6-beta-hydrocortisol 423.2025 6.8266 4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol 473.3271 6.8186 Mahanimbinol 665.4066 6.7817 Scyphostatin 506.2911 6.7817 Boldenone 631.4004 6.7493 Lauroyl peroxide 443.3376 6.7493 Arginyllysine 649.4113 6.7413 3-Indolebutyric acid 465.2049 6.7334 Frangulanine 535.3051 6.7094 Leupeptin 407.2763 6.7094 PA(PGE1/P-16:0) 751.4494 6.7014 3'-thiacytidine 266.0199 3.2038 11H-14,15-EETA 317.2119 6.6694 3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al 385.1999 6.6614 3-Hydroxysintaxanthin 937.6434 6.6535 Jervine 424.2834 6.6535 Pyrrhoxanthinol 605.3082 6.6296 19-Oxotestosterone 663.3904 6.6136 Perfluorooctanoic acid 412.9665 6.6136 1,2-Anhydridoniveusin 357.1357 6.6136 11(R)-HEDE 323.259 6.6136 (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 297.2433 6.589 Arabinofuranosylguanine 266.0893 1.9077 Arbaprostil 387.217 6.5651 N-OCTANOYL-L-HOMOSERINE LACTONE 499.307 6.5491 PG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/20:3(5Z,8Z,11Z)) 879.498 3.8729 Notoginsenoside J 879.4977 3.9748 Tetrahydrocortisone 363.2155 6.5172 PGP(18:0/16:1(9Z)) 827.4814 6.5005 Prostaglandin D1 Alcohol 339.2539 6.4765 Strophanthidin 385.2004 6.4685 Geosmin 203.1435 6.4685 (3S)-3-hydroxycyclocitral 381.2269 6.4605 5,10-Pentadecadien-1-ol 269.2121 6.4446 (17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione 467.2805 6.404 Cannabigerolate 405.2282 6.404 5-Hydroxyindoleacetate 172.0396 4.4799 2-Methoxyestrone 345.1709 6.38 12-Hydroxydodecanoic acid 431.3377 6.372 Majonoside R1 861.4873 4.7039 12,13-DHOME 359.2439 6.3641 Floionolic acid 331.2489 6.3641 Dodecylbenzenesulfonic Acid 325.1842 6.3561 Pulegone 197.1177 6.3561 Mono(glucosyluronic acid)bilirubin 797.2406 6.3316 Narirutin 561.156 6.3316 (S)-10,16-Dihydroxyhexadecanoic acid 287.2226 6.3316 Hexylresorcinol 433.2595 6.3236 Testosterone 333.2071 6.3236 Neocnidilide 239.1285 6.3236 Vinaginsenoside R13 1025.556 4.1418 Suberic Acid 173.0811 5.0229 (1R,2S,3S,4R)-p-Menthane-2,3-diol 389.291 6.2589 Nandrolone 319.1914 6.2429 Hippuryl-histidyl-leucine 410.1817 6.2349 Cis-12-Oxophytodienoic acid 337.2021 6.2349 (10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one 267.1601 6.2109 2beta-Hydroxytestosterone 349.2021 6.2029 9-Oxo-nonanoic acid 171.1018 6.2029 Ginsenoside F1 683.4387 6.1948 Dynorphin A 1-8 1025.5562 4.0383 1,4-Cyclohexanedicarboxylic acid 171.0654 5.3628 Triamcinolone acetonide 21-palmitate 717.4442 5.3548 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid 339.1921 6.1869 Tragopogonsaponin A 693.3869 6.1782 Thromboxane B2 369.2282 6.1782 9,10,13-TriHOME 329.2332 6.1782 Bolandiol 321.207 6.1622 Artemorin 247.1336 6.1622 Rishitin 503.3381 6.1542 Vinaginsenoside R12 717.4443 5.5618 PS(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/18:0) 846.4909 6.1462 Notoginsenoside A 561.2917 6.1462 2-Hydroxycineol 215.1284 6.1382 Nigericin 769.4756 6.1302 Cinncassiol D3 367.2128 6.1142 Ginsenoside Rb1 553.295 6.1062 Lexacalcitol 505.3538 6.1062 Coniferyl Aldehyde 177.0549 6.1062 Ginsenoside Ra2 604.3109 6.0982 Majoroside F6 1007.5456 4.7599 3-Hexen-1-ol 245.1756 6.0982 2-Aminooxybenzoic acid 152.0344 6.0982 PIP(18:0/18:1(9Z)) 989.5352 5.7778 Ferulic Acid 193.05 6.0896 Mono-(2-ethyl-5-carboxypentyl) phthalate 329.1032 6.0816 Ginsenoside M7cd 699.4336 5.7938 PG(i-19:0/PGJ2) 863.5004 6.0656 Mabioside D 843.4766 5.8018 Sulindac 401.0879 6.0656 Azelaic Acid 187.0969 5.8338 5-Deoxykievitol 337.1081 5.8418 Cibaric acid 305.1758 6.0576 Sebacic Acid 201.1126 6.0431 1-Methyladenosine 318.0618 6.03 L-2,3-Dihydrodipicolinate 168.0294 5.9977 Notoginsenoside C 569.2901 5.9674 2-(Trifluoromethoxy)anisole 213.0148 5.9125 Neocnidolide 239.1285 5.7058 2-Methoxy-5-nitrophenol 168.0294 5.7058 Phenoxyacetic Acid 151.0391 5.2588 Acebutolol 371.171 5.0149 12-Hydroxyjasmonic acid glucoside 369.1554 4.7599 Cinncassiol A 381.1918 4.7439 Acetyl-DL-Leucine 172.097 4.6799 6-Hydroxyhexanoic Acid 131.0703 4.6719 (+/-)-Pelletierine 186.1128 4.6239 Nonactinic Acid 201.1125 4.5919 Leptin F 389.1395 6.0656 N-Acetylleucine 172.0971 4.4559 Phthalic Acid 165.0184 4.4244 3,4-Dimethylbenzenesulfonic acid 185.027 4.3054 3,4-Methylenedioxybenzaldehyde 149.0234 4.2749 5-(4-Methyl-5-Oxo-2H-Furan-3-Yl)Pentanoic Acid 197.0813 3.8169 3-Hydroxybenzoic Acid 137.0234 3.7849 PSOROMIC ACID 357.0616 6.0896 P-Toluenesulfonic Acid 171.0113 3.3158 Matairesinol 357.1344 5.9393 Methyl 2-Hydroxyisobutyrate 117.0546 3.1878 SM(d18:2(4E,14Z)/PGJ2) 815.4815 6.1142 Danielone 211.0605 3.0368 Leucyl-Valine 229.1553 2.8743 Threonylleucine 231.1345 2.8583 2-Hydroxypentanoic Acid 117.0546 2.8342 Xanthoplanine 391.1551 6.1142 Acetylvalerenolic acid 291.1601 6.1302 N-Acetyl-D-tryptophan 267.0732 2.5156 2-Hydroxy-3-Methylbutyric Acid 117.0545 2.4796 Licoricesaponin B2 807.419 6.1462 Oxypurinol 151.0252 1.4397 2,6-diamino-4-hydroxy-5-formamidopyrimidine 150.0411 0.8313 FAPy-adenine 134.0461 0.8313 Gibberellin A14 347.1864 6.2349 Maltotetraose 711.219 0.7833 DIDP 457.0161 0.7188 Glyceryl 5-hydroxydecanoate 243.1599 6.2755 Ezetimibe-glucuronide 566.1575 0.7028 5'-Methylthioadenosine 890.2649 0.6949 Peperinic acid 363.1817 6.0736 Vinaginsenoside R17 961.5399 6.3316 20-Cooh ltb4 379.2108 6.372 Momordin B 677.3925 6.42 Ginsenoside C 829.4974 6.1462 13(S)-HODE 295.2276 6.5085 15-HETE 319.2277 6.5411 VIQUALINE 665.4057 6.5411 2,6-Dichloro-4-nitrophenol 243.899 0.4494 MJDBISSN00000009 169.1022 2.5156 MJDBISSN00000003 411.3054 6.3641 MJDBISSN00000001 198.032 3.2038 Ginsenoside Rd 991.5507 6.2429 Notoginsenoside T2 665.4295 6.6296 Ramifenazone 489.3028 6.7014 (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one 457.3326 6.6296 Lycopersiconolide 723.4851 6.7413 9(S)-HpOTrE 309.2071 6.2835 Ganoderiol I 523.3406 6.867 Corchorifatty acid D 307.1914 6.3075 9-Oxo-11-(3-pentyloxiran-2-YL)undec-10-enoic acid 291.1964 6.396 Dihydrocorticosterone 369.2046 6.9148 Ginsenoside F2 829.497 6.4605 Isopetasoside 395.2066 6.1948 Mutant IDH1 inhibitor 465.2646 6.5651 Chikusetsusaponin Ia 799.4864 6.5251 Ginsenoside Rh2(S-FORM) 667.4442 6.6614 4,4-Dimethyl-2-[3-carboxylatopropyl]-2-tridecyloxazolidine 3-oxide 384.3119 6.8056 Nevirapine 287.0926 6.0816 Ovalicin 341.1605 6.0576 4-Methoxy-1-naphthol 407.1501 6.0355 Vinaginsenoside R4 961.5397 6.0098 1-Hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid 175.9678 0.4734 ACRL Toxin II 307.1552 6.1382 H-Tyr-gly-gly-phe-leu-arg-arg-ile-OH 1025.555 5.9231 Ginsenoside B2 991.5511 5.9125 2-phospho-D-glycerate 163.9505 0.5672 3-Methyl-2-Oxovaleric Acid 129.0546 3.8569 4-Hydroxy-3-polyprenylbenzoate 273.1496 6.2269 4-Nitrophenol 138.0186 5.7218 4a-Methylzymosterol-4-carboxylic acid 423.327 6.6296 4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 487.3432 6.404 9,10-Dihydroxystearic acid 315.2538 6.4765 9,10-Epoxyoctadecanoic acid 313.2383 6.4526 Brassinolide 501.3226 6.0982 Dodecanedioic Acid 229.1441 6.2029 Ginsenoside Rf 845.4922 5.9352 Hexadecanedioic acid 285.207 6.3482 Jasmonic acid methyl ester 269.1392 6.0496 L-Glutamate 146.0449 0.6077 Malic Acid 133.0132 0.8152 Oxotremorine 617.4211 7.0527 Prostaglandin J2 315.1963 6.6375