Data for ST000311
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 10-Desacetyltaxuyunnanin C | 2195000.00 | 97245714.29 | |
| 10E,12E-tetradecadiene-4,6-diynoic acid | 226000.00 | 174944.44 | |
| 10-fluoro-capric acid_1 | 2005000.00 | 1710900.00 | |
| 10-fluoro-capric acid_2 | - | 16300.00 | |
| 10-fluoro-capric acid_3 | - | 9770.00 | |
| 10-fluoro-capric acid_4 | - | 9240.00 | |
| 10-oxo-nonadecanoic acid | 87425.00 | 533166.67 | |
| 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-... | 418625.00 | 564877.78 | |
| 11-Chloro-8E,10E-undecadien-1-ol | 19000.00 | 68550.00 | |
| 11H-Benz[bc]aceanthrylene | 5066375.00 | 5272000.00 | |
| 1,2,3-Trihydroxybenzene | 57743750.00 | 48043333.33 | |
| 1,2,6-Hexanetriol | 202375.00 | 232555.56 | |
| 14^-apo-beta-Carotenal | - | 5030.00 | |
| 16-bromo-9E-hexadecenoic acid | - | 38700.00 | |
| 1,8-Dinitropyrene | 2365000.00 | 4434118.89 | |
| 1^-Acetoxyeugenol acetate_1 | 6688250.00 | 2724266.67 | |
| 1^-Acetoxyeugenol acetate_2 | 366925.00 | 141585.71 | |
| 1-Aminocyclopropane-1-carboxylate | 2891162.50 | 6565222.22 | |
| 1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol | 900300.00 | 81355.56 | |
| 1-Hydroxy-2-methyl-2-butenyl 4-diphosphate | 3843050.00 | 2744622.22 | |
| 1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine | 2794875.00 | 1669944.44 | |
| 1-Phenylethylamine | 1214450.00 | 61233.33 | |
| 1-Pyrroline-2-carboxylate | 659312.50 | 2814511.11 | |
| 1-Tridecene-3,5,7,9,11-pentayne | 1556975.00 | 1080244.44 | |
| 2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acet... | 1775562.50 | 1637577.78 | |
| 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_1 | 458442.86 | 110022.22 | |
| 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_2 | 10900.00 | 101216.67 | |
| 2,3,5-Trihydroxytoluene | 337100.00 | 489500.00 | |
| 2,3,6-Trihydroxypyridine | 422875.00 | 1007033.33 | |
| 2,3-Dimethylmaleate | 43009875.00 | 39630000.00 | |
| 2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile | 140536.25 | 86066.67 | |
| 2-(3^-Methylthio)propylmalic acid | 95800.00 | - | |
| 2,4,5-Trichloro-2,5-cyclohexadiene-1-ol | 1145375.00 | 376222.22 | |
| 2,4,6-Trichloro-4^-biphenylol | 4005000.00 | 3402111.11 | |
| 2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_1 | 1232050.00 | 88222.22 | |
| 2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_2 | 45785.71 | 231330.00 | |
| 2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_3 | 19037.50 | 75870.00 | |
| 2,4-DP | 1206375.00 | 2436000.00 | |
| 2,5-Dichloro-4-oxohex-2-enedioate | 217056250.00 | 300834444.44 | |
| 2,5-Dioxopentanoate | 407462.50 | 201251.11 | |
| 2-(6^-Methylthio)hexylmalic acid | 6299750.00 | 2891555.56 | |
| 2-Aceto-2-hydroxybutanoate | 1532000.00 | 11195000.00 | |
| 2-Amino-9,10-epoxy-8-oxodecanoic acid | 657200.00 | 271557.14 | |
| 2-Amino-9H-pyrido[2,3-b]indole | 65000.00 | 90911.11 | |
| 2-Aminoadenosine | 750125.00 | 227184.29 | |
| 2-Aminomuconate | 1030162.50 | 497222.22 | |
| 2-Chloro-cis,cis-muconate | 380950.00 | 418922.22 | |
| 2E,4Z-Heptadien-1-ol | 448250.00 | 766455.56 | |
| 2-Ethylhexyl phthalate_1 | 472712.50 | 340678.89 | |
| 2-Ethylhexyl phthalate_2 | 223142.50 | 251294.44 | |
| 2-Ethylhexyl phthalate_3 | 88275.00 | 480322.22 | |
| 2-Furoate | 2520500.00 | 6627111.11 | |
| 2-Hydroxycyclohexan-1-one | 314875.00 | 605677.78 | |
| 2-Hydroxyethylphosphonate | 310850.00 | 108440.00 | |
| 2-Hydroxymethylclavam | 6711125.00 | 16232333.33 | |
| 2-Naphthylamine_1 | 2256000.00 | 1125433.33 | |
| 2-Naphthylamine_2 | 2228887.50 | 2226133.33 | |
| 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl)... | 588312.50 | 538511.11 | |
| 2-Oxoglutaramate | 729537.50 | 92877.78 | |
| 2-Oxosuberate | 675125.00 | 817777.78 | |
| 2R-aminoheptanoic acid_1 | 5957850.00 | 8305555.56 | |
| 2R-aminoheptanoic acid_2 | 942825.00 | 1135000.00 | |
| 2R-aminoheptanoic acid_3 | 923750.00 | 1210000.00 | |
| 2-Thiophenesulfonamide | 8336625.00 | 7678888.89 | |
| 3-(2-Hydroxyphenyl)propanoate | 62450.00 | 627144.44 | |
| 3,3^-Dimethylbisphenol A | - | 67375.00 | |
| 3,4-Dihydroxyphenylethyleneglycol_1 | 398825.00 | 1046666.67 | |
| 3,4-Dihydroxyphenylethyleneglycol_2 | 50375.00 | 52755.56 | |
| 3,4-Methylenedioxymethamphetamine_1 | 1449612.50 | 1151822.22 | |
| 3,4-Methylenedioxymethamphetamine_2 | 459625.00 | 441333.33 | |
| 3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_1 | 1163000.00 | 940477.78 | |
| 3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_2 | 39132.50 | 927844.44 | |
| 3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_3 | 41480.00 | 548511.11 | |
| 3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_4 | - | 10065.00 | |
| 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_1 | - | 52625.00 | |
| 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_2 | - | 44725.00 | |
| 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_3 | - | 8620.00 | |
| 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_4 | - | 7180.00 | |
| 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_5 | - | 6010.00 | |
| 3-amino-octanoic acid_1 | 200717500.00 | 152304444.44 | |
| 3-amino-octanoic acid_2 | 3921250.00 | 125333.33 | |
| (3-Arylcarbonyl)-alanine_1 | 410750.00 | 106344.44 | |
| (3-Arylcarbonyl)-alanine_2 | 926450.00 | 76511.11 | |
| 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone | 1273750.00 | 1358555.56 | |
| 3-Chloro-D-alanine_1 | 1214275.00 | 539477.78 | |
| 3-Chloro-D-alanine_2 | 794375.00 | 586044.44 | |
| 3-Chloro-D-alanine_3 | 612065.00 | 552914.44 | |
| 3-Dehydroecdysone_1 | 22860.00 | 814285.71 | |
| 3-Dehydroecdysone_2 | - | 48200.00 | |
| 3-Dehydroshikimate | 127398.75 | 181844.44 | |
| 3-Deoxyvitamin D3 | 48329500.00 | 50940000.00 | |
| 3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1 | 5378700.00 | 146027777.78 | |
| 3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2 | 168212.50 | 684666.67 | |
| 3-Hydroxyanthranilate | 20512.50 | 116583.33 | |
| 3-Hydroxy-L-glutamate | 1656750.00 | 671544.44 | |
| 3-Ketosphingosine | 347800.00 | 439222.22 | |
| 3-Methyl-2-oxobutanoic acid | 171027500.00 | 104474444.44 | |
| 3-Methyleneoxindole_1 | 6578750.00 | 7017444.44 | |
| 3-Methyleneoxindole_2 | 137000.00 | 196855.56 | |
| 3-Methyleneoxindole_3 | 302887.50 | 160700.00 | |
| 3-Methylguanine_1 | 5171875.00 | 4255000.00 | |
| 3-Methylguanine_2 | 1395400.00 | 1025011.11 | |
| 3-O-alpha-Mycarosylerythronolide B | 621762.50 | 808777.78 | |
| 3-Oxochola-1,4-dien-24-oic Acid_1 | 322650.00 | 795085.71 | |
| 3-Oxochola-1,4-dien-24-oic Acid_2 | - | 24050.00 | |
| 3-Oxochola-1,4-dien-24-oic Acid_3 | 14842.86 | 393350.00 | |
| 3-Sulfocatechol | 1986012.50 | 4087777.78 | |
| 3-Sulfomuconate | 1554000.00 | 1602133.33 | |
| 3-Sulfopyruvate_1 | 346475.00 | 398900.00 | |
| 3-Sulfopyruvate_2 | 164400.00 | 90156.67 | |
| 3-tert-Butyl-5-methylcatechol_1 | 365750.00 | 305585.56 | |
| 3-tert-Butyl-5-methylcatechol_2 | 19654.29 | 649766.67 | |
| 4,10-undecadiynal | 20687500.00 | 17803166.67 | |
| 4,6^-Epoxyorotiniflavan-4-ol | 15057500.00 | 3977511.11 | |
| 4,7-dioxo-octanoic acid | 124262.50 | 226882.22 | |
| 4-Acetamidobutanoate_1 | 2824625.00 | 4562222.22 | |
| 4-Acetamidobutanoate_2 | 1702725.00 | 3280000.00 | |
| 4-Amino-2-hydroxylamino-6-nitrotoluene_1 | 983250.00 | 1117000.00 | |
| 4-Amino-2-hydroxylamino-6-nitrotoluene_2 | 786775.00 | 1185977.78 | |
| 4-Aminobiphenyl | 328375.00 | 303777.78 | |
| 4-Aminobutanoate | 189375.00 | 169777.78 | |
| 4-Cumylphenol | 130233.33 | 109264.29 | |
| 4-Dodecylphenol_1 | 1736962.50 | 1009277.78 | |
| 4-Dodecylphenol_2 | 173762.50 | 326644.44 | |
| 4-Fluorocyclohexadiene-cis,cis-1,2-diol_1 | 2061250.00 | 138777.78 | |
| 4-Fluorocyclohexadiene-cis,cis-1,2-diol_2 | 110625.00 | 352811.11 | |
| 4-Guanidinobutanal_1 | 558125.00 | 510788.89 | |
| 4-Guanidinobutanal_2 | 917000.00 | 46933.33 | |
| 4-Guanidinobutanoate_1 | 799975.00 | 691666.67 | |
| 4-Guanidinobutanoate_2 | 203375.00 | 219111.11 | |
| 4-Hydroxy-3-nitrosobenzamide | 484125.00 | 307377.78 | |
| 4-Hydroxy-4-methylglutamate | 879975.00 | 227011.11 | |
| 4-Hydroxybutanoic acid_1 | 3333125.00 | 3562928.89 | |
| 4-Hydroxybutanoic acid_2 | 154500.00 | 474444.44 | |
| 4-Hydroxybutanoic acid_3 | 156317.50 | 222016.67 | |
| 4-Hydroxyphenylacetate | 260500.00 | 262666.67 | |
| 4-Ketocyclophosphamide | 802562.50 | 411244.44 | |
| 4^-Methoxychalcone | 27500.00 | - | |
| 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol | 1174887.50 | 1259800.00 | |
| 4-Nitrophenol | 186162.50 | 17323.33 | |
| 4-Oxoproline_1 | 2280000.00 | 3803333.33 | |
| 4-Oxoproline_2 | 434375.00 | 712888.89 | |
| 4-Phenethylphenol | 632762.50 | 78122.22 | |
| 4-Prenylresveratrol | 1021625.00 | 1133555.56 | |
| 4-Pyridoxate | 1168737.50 | 519555.56 | |
| 4-Vinylcyclohexene | 979625.00 | 819444.44 | |
| (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_1 | 779750.00 | 1855222.22 | |
| (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_2 | 77700.00 | 185261.11 | |
| (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1 | 514312.50 | 4398777.78 | |
| (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2 | 243637.50 | 335388.89 | |
| (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3 | - | 91450.00 | |
| (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_4 | 138728.57 | 49178.89 | |
| 5-(2-Hydroxyethyl)-4-methylthiazole | 916000.00 | 110777.78 | |
| 5,6-Dihydrothymine_1 | 1052525.00 | 1679200.00 | |
| 5,6-Dihydrothymine_2 | 1187500.00 | 1311666.67 | |
| 5,6-Dihydrouracil | 327500.00 | 230000.00 | |
| 5,7,9,11,13-tetradecapentaenoic acid_1 | 1928728.75 | 1564222.22 | |
| 5,7,9,11,13-tetradecapentaenoic acid_2 | 27075.00 | 90366.67 | |
| 5,7,9,11,13-tetradecapentaenoic acid_3 | 15987.50 | 84858.89 | |
| 5-Acetamidopentanoate_1 | 4745362.50 | 2094377.78 | |
| 5-Acetamidopentanoate_2 | 3666992.50 | 2163822.22 | |
| 5-Acetamidopentanoate_3 | 131830.00 | 225686.67 | |
| 5alpha-Androstan-17beta-ol propionate | 225725.00 | 1164888.89 | |
| 5-Aminolevulinate_1 | 2207537.50 | 2652366.67 | |
| 5-Aminolevulinate_2 | 1489637.50 | 1965777.78 | |
| 5-Aminolevulinate_3 | 2121875.00 | 1471888.89 | |
| 5-exo-Hydroxy-1,2-campholide | 1373000.00 | 1668888.89 | |
| 5-Guanidino-2-oxopentanoate | 1199200.00 | 538200.00 | |
| 5-Hydroxyindoleacetate_1 | 48987.50 | 1065411.11 | |
| 5-Hydroxyindoleacetate_2 | 42650.00 | 444155.56 | |
| 5-Hydroxy-L-tryptophan_1 | 1349125.00 | 1231655.56 | |
| 5-Hydroxy-L-tryptophan_2 | 656375.00 | 502466.67 | |
| 5-Hydroxy-L-tryptophan_3 | 429250.00 | 793055.56 | |
| 5-Hydroxypentanoate_1 | 839737.50 | 915833.33 | |
| 5-Hydroxypentanoate_2 | 280625.00 | 230922.22 | |
| 5-L-Glutamyl-taurine | 802250.00 | 674555.56 | |
| 5-Methylthiopentanaldoxime | 62800.00 | 98655.56 | |
| 5-Nitro-ortho-anisidine | 887000.00 | 1411111.11 | |
| 5-N-Methyloxaluric acid | 616375.00 | 920233.33 | |
| 5-O-Methyl-myo-inositol | 1227300.00 | 472333.33 | |
| 5S-HETE di-endoperoxide | 49275.00 | 249411.11 | |
| 5-Sulfosalicylate_1 | 939887.50 | 744388.89 | |
| 5-Sulfosalicylate_2 | 315500.00 | 281571.11 | |
| 5-Sulfosalicylate_3 | 932350.00 | 299444.44 | |
| 5-Ureido-4-imidazole carboxylate_1 | 120650.00 | 97933.33 | |
| 5-Ureido-4-imidazole carboxylate_2 | 177125.00 | 618455.56 | |
| 6,8-Dimethyl-6,7,8,9-tetradehydroergoline | 486375.00 | 913811.11 | |
| 6,8-Dimethyl-6,7-didehydroergoline_1 | 52680.00 | 489922.22 | |
| 6,8-Dimethyl-6,7-didehydroergoline_2 | - | 20200.00 | |
| (6Z,9Z,12Z)-Octadecatrienoic acid_1 | 3581825.00 | 3170777.78 | |
| (6Z,9Z,12Z)-Octadecatrienoic acid_2 | 1576212.50 | 5536555.56 | |
| (6Z,9Z,12Z)-Octadecatrienoic acid_3 | 1433125.00 | 402511.11 | |
| 7,8-Diaminononanoate | 12055500.00 | 12777000.00 | |
| 7-Chloroemodin | 1139550.00 | 991166.67 | |
| 7-oxo-11E,13-Tetradecadienoic acid_1 | 1274600.00 | 1049711.11 | |
| 7-oxo-11E,13-Tetradecadienoic acid_2 | 929875.00 | 934933.33 | |
| 8-Deoxylactucin | 2597500.00 | 464720.00 | |
| (8Z,11Z,14Z)-Icosatrienoic acid | 655050.00 | 583888.89 | |
| 9,12,13-TriHOME_1 | 1104375.00 | 630122.22 | |
| 9,12,13-TriHOME_2 | 1100000.00 | 732100.00 | |
| 9,12,15-Octadecatrien-1-ol | - | 11000.00 | |
| 9,12-Hexadecadienylcarnitine | 794262.50 | 404744.44 | |
| 9-amino-nonanoic acid | 1268050.00 | 3215000.00 | |
| (9Z)-Hexadecenoic acid_1 | 519000.00 | 596688.89 | |
| (9Z)-Hexadecenoic acid_2 | 428900.00 | 1168777.78 | |
| (9Z)-Hexadecenoic acid_3 | 157837.50 | 231840.00 | |
| (9Z)-Hexadecenoic acid_4 | 208575.00 | 140455.56 | |
| (9Z)-Octadecenoic acid | 1751250.00 | 10291000.00 | |
| Abacavir | 1223200.00 | 804666.67 | |
| Abietate_1 | 746868.75 | 10482222.22 | |
| Abietate_2 | 441250.00 | 2683344.44 | |
| Acutumidine | 3006814.29 | 3005500.00 | |
| Agroclavine_1 | 628662.50 | 1083350.00 | |
| Agroclavine_2 | 253525.00 | 1160700.00 | |
| Alantolactone_1 | 18485.71 | 63737.50 | |
| Alantolactone_2 | - | 13200.00 | |
| Albafuran A | 398875.00 | 978655.56 | |
| Allantoate | 1111250.00 | 1233155.56 | |
| Allantoin | 600125.00 | 307555.56 | |
| Allidochlor_1 | 5045475.00 | 4534444.44 | |
| Allidochlor_2 | 136275.00 | 92988.89 | |
| alpha-Ergocryptine | 343614.29 | 712644.44 | |
| alpha-Erythroidine | 1230000.00 | 984588.89 | |
| alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol | 173725.00 | 320544.44 | |
| alpha-Ionone_1 | 41967.50 | 77977.78 | |
| alpha-Ionone_2 | 15121.67 | 210366.67 | |
| alpha-Methylstyrene_1 | 1461325.00 | 1348777.78 | |
| alpha-Methylstyrene_2 | 799787.50 | 864722.22 | |
| alpha-Oxo-benzeneacetic acid | 1417837.50 | 1205666.67 | |
| alpha-Ribazole | 393597.50 | 588600.00 | |
| alpha-Santonin | 53226.25 | 133070.00 | |
| alpha-Sinensal_1 | 212250.00 | 196000.00 | |
| alpha-Sinensal_2 | 775862.50 | 266255.56 | |
| Aminoimidazole ribotide | 14297500.00 | 13511888.89 | |
| Ammeline | 3786512.50 | 5410000.00 | |
| Anandamide (18:3, n-6) | 133677.50 | 1435377.78 | |
| (-)-Annonaine | 227812.50 | 263444.44 | |
| Anthopleurine | 207375.00 | 428012.50 | |
| Anthranilate | 515825.00 | 432377.78 | |
| Apigenin | 111525.00 | 244888.89 | |
| Arachidonate_1 | 716875.00 | 3276444.44 | |
| Arachidonate_2 | 617375.00 | 1047955.56 | |
| Arnebinol | 41196.25 | 148400.00 | |
| Aromatic aldehyde_1 | 1503700.00 | 749777.78 | |
| Aromatic aldehyde_2 | 512250.00 | 411700.00 | |
| Aspartame_1 | 1042812.50 | 2402500.00 | |
| Aspartame_2 | - | 17700.00 | |
| Bakkenolide A_1 | 98362.50 | 2398200.00 | |
| Bakkenolide A_2 | 66950.00 | 68166.67 | |
| Bakkenolide A_3 | 13258.75 | 255438.89 | |
| Batrachotoxin | 8074700.00 | 20676222.22 | |
| Bentazone-sodium | - | 36600.00 | |
| Benz[a]acridine_1 | 288750.00 | 463055.56 | |
| Benz[a]acridine_2 | - | 27000.00 | |
| Benz[a]acridine_3 | - | 6370.00 | |
| Benzimidazole | 294162.50 | 338000.00 | |
| Benzoate | 1657125.00 | 3390222.22 | |
| Benzofuran | 213587.50 | 374488.89 | |
| Benzotrichloride | 1326562.50 | 374177.78 | |
| Benzoyl phosphate | 455250.00 | 436811.11 | |
| Benzyl 2-methyl-3-oxobutanoate | 665612.50 | 1291077.78 | |
| Benzyl nicotinate | 45150.00 | 632400.00 | |
| beta-Carboline | 248000.00 | 727922.22 | |
| Betamethasone | 561625.00 | 768300.00 | |
| Biochanin A | 21938.33 | 817833.33 | |
| Biotin | 986612.50 | 478366.67 | |
| Bis(chloromethyl) ether | 19005125.00 | 19117111.11 | |
| Bixin_1 | 2523375.00 | 1478111.11 | |
| Bixin_2 | 177025.00 | 528700.00 | |
| (+)-Bornane-2,5-dione_1 | 752875.00 | 405322.22 | |
| (+)-Bornane-2,5-dione_2 | - | 70833.33 | |
| (+)-Bornane-2,5-dione_3 | 92500.00 | 734414.29 | |
| Botrydial | 1995000.00 | 467677.78 | |
| Buclizine | 751625.00 | 873533.33 | |
| Bufadienolide | 2696000.00 | 39376666.67 | |
| Buprenorphine_1 | 2204250.00 | 3682888.89 | |
| Buprenorphine_2 | - | 12400.00 | |
| Buprenorphine_3 | 4400.00 | - | |
| Butabarbital_1 | 2323750.00 | 1010833.33 | |
| Butabarbital_2 | 73058.33 | 171416.67 | |
| Calcium glycerophosphate | 1244662.50 | 1394000.00 | |
| Calystegin B2 | 210650.00 | 43944.44 | |
| Capillanol | 322000.00 | 326247.78 | |
| CCCP | 2661125.00 | 1430844.44 | |
| Cholesterol sulfate | - | 20100.00 | |
| Cinnamaldehyde_1 | 226300.00 | 392755.56 | |
| Cinnamaldehyde_2 | 128871.25 | 130522.22 | |
| Cinnamaldehyde_3 | 69237.50 | 477277.78 | |
| cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1 | 114985.00 | 92722.22 | |
| cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2 | 122033.75 | 42542.86 | |
| Clopyralid | 2711825.00 | 1375511.11 | |
| Codeinone | 381985.00 | 379566.67 | |
| Corticosterone_1 | 4006925.00 | 2630111.11 | |
| Corticosterone_2 | 68528.57 | 141600.00 | |
| Coumarin_1 | 337100.00 | 1075980.00 | |
| Coumarin_2 | 282048.75 | 80877.78 | |
| Coumestrol 3-O-glucoside | 238837.50 | 562700.00 | |
| Creatine | 6647500.00 | 6808888.89 | |
| Crotanecine_1 | 404862.50 | 345888.89 | |
| Crotanecine_2 | 398250.00 | 156022.22 | |
| Cucurbic acid_1 | 1643750.00 | 1064855.56 | |
| Cucurbic acid_2 | 909500.00 | 666978.89 | |
| Cyclohexane-1,3-dione_1 | 2297912.50 | 885111.11 | |
| Cyclohexane-1,3-dione_2 | 191875.00 | 231333.33 | |
| Cyclohexane-1,3-dione_3 | 940500.00 | 127777.78 | |
| Cyclohexylsulfamate | 3260050.00 | 3668711.11 | |
| Cytidine | 303125.00 | 826888.89 | |
| Cytosine_1 | 270000.00 | 781555.56 | |
| Cytosine_2 | 153125.00 | 700822.22 | |
| Deazaflavin | 1532625.00 | 1553488.89 | |
| Debromoaplysiatoxin | - | 43700.00 | |
| Decoside | - | 23700.00 | |
| Deethylatrazine | 5836250.00 | 7074444.44 | |
| Dehydrospermidine | 637875.00 | 597133.33 | |
| Deisopropyldeethylatrazine | 505937.50 | 601688.89 | |
| Dethiobiotin_1 | 279900.00 | 820200.00 | |
| Dethiobiotin_2 | 447000.00 | 391322.22 | |
| D-Galactose 6-sulfate | 719350.00 | 229600.00 | |
| D-Glucarate | 603300.00 | 129055.56 | |
| D-Glucose | 72812.50 | 531011.11 | |
| Diacetylaminoazotoluene | 281958.75 | 998111.11 | |
| Dienestrol_1 | 799625.00 | 1561600.00 | |
| Dienestrol_2 | 251825.00 | 86933.33 | |
| Diethylene glycol_1 | 151910.00 | 148111.11 | |
| Diethylene glycol_2 | 122337.50 | 161000.00 | |
| Diethylpropion | 1224750.00 | 1310755.56 | |
| Difenpiramide_1 | 1541125.00 | 1610722.22 | |
| Difenpiramide_2 | 1832833.33 | 3895142.86 | |
| Dihydro-4,4-dimethyl-2,3-furandione_1 | 1157650.00 | 1028688.89 | |
| Dihydro-4,4-dimethyl-2,3-furandione_2 | 505500.00 | 570888.89 | |
| Dihydro-4,4-dimethyl-2,3-furandione_3 | 2062750.00 | 1759944.44 | |
| Dimepiperate | 879637.50 | 1058177.78 | |
| Dimethisterone | 18471.43 | 77442.86 | |
| Dinitrochlorobenzene_1 | 356250.00 | 325444.44 | |
| Dinitrochlorobenzene_2 | 234875.00 | 78710.00 | |
| Dinitrochlorobenzene_3 | 162625.00 | 223344.44 | |
| Diosgenin_1 | - | 121000.00 | |
| Diosgenin_2 | - | 46750.00 | |
| D-Lysopine | 97112.50 | 122477.78 | |
| Dobutamine | 937875.00 | 1461111.11 | |
| D-Octopine | 220614.29 | 572212.50 | |
| Dodecanamide | 6803750.00 | 6493333.33 | |
| Dodemorph | 1798750.00 | 316366.67 | |
| Dopamine | 756275.00 | 793166.67 | |
| D-Ribitol 5-phosphate | 787500.00 | 1182733.33 | |
| D-Ribose | 429750.00 | 488777.78 | |
| (E)-4-(Trimethylammonio)but-2-enoate | 5668750.00 | 6403333.33 | |
| Epothilone C | - | 329000.00 | |
| Ethephon | 18786250.00 | 16980222.22 | |
| Etidronic acid | 84061.25 | 74371.11 | |
| Etodolac | 3316250.00 | 4307777.78 | |
| Fagomine_1 | 20456112.50 | 29266666.67 | |
| Fagomine_2 | 49250.00 | 1134222.22 | |
| Felbamate | 20816.67 | 1101744.44 | |
| Fenoprofen | 735750.00 | 1060377.78 | |
| Ferricyanide_1 | 577162.50 | 959111.11 | |
| Ferricyanide_2 | 91825.00 | 1043033.33 | |
| Fexofenadine | 28909375.00 | 35166666.67 | |
| Fludrocortisone acetate | 321000.00 | 467211.11 | |
| Furfural diethyl acetal_1 | 174375.00 | 194333.33 | |
| Furfural diethyl acetal_2 | 514400.00 | 549544.44 | |
| Furfural diethyl acetal_3 | 207442.50 | 160774.44 | |
| Fusicoccin H_1 | 427716.67 | 17847714.29 | |
| Fusicoccin H_2 | 276916.67 | 6670714.29 | |
| gamma-Coniceine | 66900.00 | 485200.00 | |
| gamma-Glutamyl-gamma-aminobutyraldehyde | - | 174000.00 | |
| gamma-L-Glutamyl-D-alanine | - | 59800.00 | |
| gamma-L-Glutamyl-L-cysteinyl-beta-alanine | 163112.50 | 586377.78 | |
| Glutarate_1 | 580287.50 | 671944.44 | |
| Glutarate_2 | 2723750.00 | 173000.00 | |
| Glycocholate_1 | 261650.00 | 883850.00 | |
| Glycocholate_2 | 34900.00 | 389271.43 | |
| Glycyl-leucine_1 | 5170125.00 | 5488622.22 | |
| Glycyl-leucine_2 | 4266500.00 | 5724988.89 | |
| Glycyl-leucine_3 | 186487.50 | 790277.78 | |
| GV 150013X | 1130640.00 | 14645714.29 | |
| Gymnodimine_1 | 1004287.50 | 1522900.00 | |
| Gymnodimine_2 | 141050.00 | 449733.33 | |
| Heneicosanedioic acid_1 | 895250.00 | 1166511.11 | |
| Heneicosanedioic acid_2 | 424625.00 | 1745566.67 | |
| hexadecanedioic acid mono-L-carnitine ester | - | 44320.00 | |
| Hexadecasphinganine | 1209762.50 | 1583333.33 | |
| Hexylamine | 117500.00 | 162955.56 | |
| Himbacine | - | 79425.00 | |
| Hippurate | 854500.00 | 683888.89 | |
| Histamine | 447700.00 | 571222.22 | |
| Hoechst 33342 | - | 81900.00 | |
| Homostachydrine | 2828750.00 | 3076666.67 | |
| Imazaquin | 2994000.00 | 5046600.00 | |
| Indole_1 | 508362.50 | 416000.00 | |
| Indole_2 | 858112.50 | 272122.22 | |
| Indole_3 | 36675.00 | 96722.22 | |
| Indole-3-acetaldehyde_1 | 831250.00 | 1121922.22 | |
| Indole-3-acetaldehyde_2 | 259112.50 | 343002.22 | |
| Indole-3-acetate_1 | 130712.50 | 541022.22 | |
| Indole-3-acetate_2 | 35975.00 | 53465.56 | |
| Indole_4 | 312100.00 | 261544.44 | |
| Indoleamine | 61600.00 | 64177.78 | |
| Indolelactate | 3149875.00 | 4500000.00 | |
| Indospicine | 2273200.00 | 1999855.56 | |
| Ipazine | 261514.29 | 247557.14 | |
| Isodomedin | 19133.33 | 25062.50 | |
| Isoquinoline_1 | 127312.50 | 391311.11 | |
| Isoquinoline_2 | 504600.00 | 317233.33 | |
| Isoquinoline_3 | 232825.00 | 45077.78 | |
| Isovalerylcarnitine | 268875.00 | 144111.11 | |
| (-)-Jolkinol A | - | 29100.00 | |
| Karwinaphthol B | 1659650.00 | 140333.33 | |
| Ketoprofen | 288680.00 | 1100200.00 | |
| L-2,4-Diaminobutanoate_1 | 704000.00 | 700522.22 | |
| L-2,4-Diaminobutanoate_2 | 862062.50 | 70644.44 | |
| L-2-Aminoadipate_1 | 1326387.50 | 3330668.89 | |
| L-2-Aminoadipate_2 | 1196250.00 | 1179830.00 | |
| L-Arginine | 1183000.00 | 802500.00 | |
| L-Asparagine_1 | 365625.00 | 215555.56 | |
| L-Asparagine_2 | 298202.50 | 193988.89 | |
| L-Aspartate 4-semialdehyde | 1242200.00 | 993222.22 | |
| Latia luciferin | 160937.50 | 483511.11 | |
| L-Carnitine | 3391250.00 | 4482222.22 | |
| L-Citrulline_1 | 711987.50 | 739722.22 | |
| L-Citrulline_2 | 239750.00 | 330222.22 | |
| L-Cysteate | 2813625.00 | 2366222.22 | |
| Lemobiline | - | 64775.00 | |
| Leukotriene A4_1 | 600887.50 | 476988.33 | |
| Leukotriene A4_2 | 19133.33 | 379966.67 | |
| Levetiracetam | 1595575.00 | 1420566.67 | |
| L-Glutamate_1 | 342971.25 | 243511.11 | |
| L-Glutamate_2 | 118000.00 | 147000.00 | |
| L-Glutamate_3 | 47137.50 | 45066.67 | |
| L-Glutamine | 1328750.00 | 2094444.44 | |
| L-Histidine | 204250.00 | 234133.33 | |
| L-Homocysteic acid | 1773750.00 | 2154522.22 | |
| Lichenin_1 | 79016250.00 | 81094444.44 | |
| Lichenin_2 | 7293237.50 | 6989000.00 | |
| L-Iduronate 2-sulfate_1 | 3278887.50 | 1544933.33 | |
| L-Iduronate 2-sulfate_2 | 463408.75 | 382378.89 | |
| Linoleamide_1 | 114975.00 | 369602.22 | |
| Linoleamide_2 | - | 75460.00 | |
| Linoleate_1 | 3960875.00 | 25679011.11 | |
| Linoleate_2 | 672482.50 | 2260000.00 | |
| Linoleate_3 | 266417.50 | 361856.67 | |
| L-Kynurenine | 196875.00 | 171444.44 | |
| L-Leucine_1 | 42087500.00 | 49833333.33 | |
| L-Leucine_2 | 22000000.00 | 23177777.78 | |
| L-Lysine | 2608475.00 | 4050222.22 | |
| L-Methionine | 8441250.00 | 9643333.33 | |
| L-Methionine S-oxide_1 | 603500.00 | 314788.89 | |
| L-Methionine S-oxide_2 | 1356100.00 | 92733.33 | |
| L-Methionine S-oxide_3 | 102875.00 | 79765.56 | |
| L-Octanoylcarnitine | 955750.00 | 551766.67 | |
| L-Olivosyl-oleandolide_1 | 3454350.00 | 167671428.57 | |
| L-Olivosyl-oleandolide_2 | 6310700.00 | 116621428.57 | |
| L-Ornithine | 1988287.50 | 4684266.67 | |
| Lovastatin | - | 107266.67 | |
| L-Palmitoylcarnitine | 273400.00 | 213255.56 | |
| L-Phenylalanine | 25562500.00 | 28255555.56 | |
| L-Pipecolate_1 | 99237500.00 | 52774900.00 | |
| L-Pipecolate_2 | 4072162.50 | 6118888.89 | |
| L-Proline | 4343750.00 | 5550000.00 | |
| L-Serine | 1163625.00 | 774611.11 | |
| L-Threonine_1 | 3015962.50 | 3140777.78 | |
| L-Threonine_2 | 406625.00 | 685777.78 | |
| L-Tryptophan | 15075000.00 | 18398888.89 | |
| L-Tyrosine | 9560000.00 | 12622222.22 | |
| L-Valine_1 | 22212500.00 | 24855555.56 | |
| L-Valine_2 | 40406250.00 | 39708888.89 | |
| Lycodine | 3075125.00 | 2617111.11 | |
| Lythramine_1 | 20851887.50 | 479014766.67 | |
| Lythramine_2 | 10827125.00 | 336832155.56 | |
| Maculosin | 1296150.00 | 160444.44 | |
| Magnoshinin | 6966250.00 | 4398666.67 | |
| Mandelonitrile | 1770875.00 | 690555.56 | |
| Mannitol | 958125.00 | 1264222.22 | |
| Mansonone C | 84383.33 | 572310.00 | |
| Mebenil | 56185.71 | 356000.00 | |
| Mercury(2+) | 839762.50 | 892066.67 | |
| Metalaxyl | 834575.00 | 364333.33 | |
| Methohexital | 606000.00 | 681644.44 | |
| Methyl 2-diazoacetamidohexonate | 2267500.00 | 1755533.33 | |
| Methyl acetyl ricinoleate | 1258125.00 | 974888.89 | |
| Methylimidazoleacetic acid_1 | 843225.00 | 2106488.89 | |
| Methylimidazoleacetic acid_2 | 1095537.50 | 503333.33 | |
| Methylimidazoleacetic acid_3 | 105825.00 | 1790244.44 | |
| Methyl methanesulfonate | 1520125.00 | 1042888.89 | |
| Metipranolol_1 | 480375.00 | 1156455.56 | |
| Metipranolol_2 | 276300.00 | 299511.11 | |
| MG(16:0/0:0/0:0)[rac] | 52720.00 | 711777.78 | |
| Myriocin | 74887.50 | 236322.22 | |
| N1-Methyl-2-pyridone-5-carboxamide_1 | 571875.00 | 334000.00 | |
| N1-Methyl-2-pyridone-5-carboxamide_2 | 346750.00 | 464344.44 | |
| N-(3,4-Dichlorophenyl)-malonamate | 1181625.00 | 1585422.22 | |
| N5-Phenyl-L-glutamine_1 | 724250.00 | 634211.11 | |
| N5-Phenyl-L-glutamine_2 | 381625.00 | 122266.67 | |
| N6-Acetyl-N6-hydroxy-L-lysine | 2981500.00 | 5477777.78 | |
| N6-(delta2-Isopentenyl)-adenine_1 | 39000000.00 | 45833333.33 | |
| N6-(delta2-Isopentenyl)-adenine_2 | 9122460.00 | 7293587.50 | |
| N(6)-[(Indol-3-yl)acetyl]-L-lysine | 380250.00 | 858777.78 | |
| N6-Methyl-L-lysine | 1088875.00 | 775577.78 | |
| N-Acetyl-D-fucosamine | 1787500.00 | 2174333.33 | |
| N-Acetyl-D-tryptophan | 957862.50 | 336766.67 | |
| N-Acetyl-L-glutamate 5-semialdehyde | 682987.50 | 349533.33 | |
| N-Acetyl-L-histidine | 87562.50 | 35966.67 | |
| N-Acetyl-L-leucine_1 | 7911200.00 | 3689100.00 | |
| N-Acetyl-L-leucine_2 | 5076250.00 | 2402955.56 | |
| N-Acetyl-L-leucine_3 | 258612.50 | 207505.56 | |
| N-Acetyl-L-leucine_4 | 102862.50 | 98414.44 | |
| N-Acetyl-L-leucine_5 | 92225.00 | 90390.00 | |
| N-Acetyl-L-leucine_6 | 47087.50 | 53148.89 | |
| N-Acetyl-L-phenylalanine | 4863775.00 | 3252100.00 | |
| N-Acetylmethionine | 557700.00 | 646022.22 | |
| N-Acetylornithine_1 | 267225.00 | 321933.33 | |
| N-Acetylornithine_2 | 282875.00 | 330333.33 | |
| N-Amidino-L-glutamate_1 | 284500.00 | 329604.44 | |
| N-Amidino-L-glutamate_2 | 766325.00 | 1041944.44 | |
| N-Carbamoylputrescine_1 | 8093750.00 | 8990444.44 | |
| N-Carbamoylputrescine_2 | 4487000.00 | 8538888.89 | |
| N-Cyclohexylformamide | 603000.00 | 36577.78 | |
| N-Cyclopropylammeline | 1567500.00 | 1203822.22 | |
| N-Dimethyl-2-aminoethylphosphonate_1 | 199356.25 | 234966.67 | |
| N-Dimethyl-2-aminoethylphosphonate_2 | 960287.50 | 97822.22 | |
| N-Ethylglycocyamine | 5821250.00 | 6605555.56 | |
| N-Formimino-L-glutamate | 482450.00 | 696222.22 | |
| N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine | 1593625.00 | 1717011.11 | |
| N-Hydroxy-L-valine | 1236975.00 | 1534766.67 | |
| Nicotianamine | 305500.00 | 571111.11 | |
| Nicotinamide | 3621250.00 | 2374444.44 | |
| Nicotinate | 601625.00 | 671133.33 | |
| Nitrilacarb | 4632500.00 | 592222.22 | |
| N-linoleoyl taurine | 424375.00 | 574144.44 | |
| N-Methylhistamine | 794937.50 | 601088.89 | |
| N-Methylpelletierine | 810975.00 | 241022.22 | |
| N-Monomethyl-2-aminoethylphosphonate | 356566.67 | 695300.00 | |
| N,N^-Diethylthiourea | 273375.00 | 280000.00 | |
| N,N^-Diphenyl-p-phenylenediamine | 398420.00 | 407780.00 | |
| N-oleoyl glutamic acid_1 | - | 67566.67 | |
| N-oleoyl glutamic acid_2 | - | 7250.00 | |
| Nona-2,6-dienal_1 | 212825.00 | 802922.22 | |
| Nona-2,6-dienal_2 | 44087.50 | 407966.67 | |
| Nona-2,6-dienal_3 | 19991.25 | 70990.00 | |
| Nordazepam | 44400.00 | 41560.00 | |
| N-palmitoyl serine | 184825.00 | 1246944.44 | |
| N(pi)-Methyl-L-histidine | 7408750.00 | 9754222.22 | |
| N-stearoyl serine | 571562.50 | 463766.67 | |
| N-stearoyl tyrosine | 392071.43 | 368433.33 | |
| Oblongolide_1 | 183225.00 | 441955.56 | |
| Oblongolide_2 | 173242.50 | 256000.00 | |
| Oblongolide_3 | - | 15100.00 | |
| O-Butanoylcarnitine | 1858750.00 | 1046777.78 | |
| Octanoic acid | 738625.00 | 607600.00 | |
| Octylamine | 380750.00 | 420000.00 | |
| O-Decanoyl-L-carnitine | 462500.00 | 346711.11 | |
| O-hexanoyl-R-carnitine | 110675.00 | 634111.11 | |
| O-Methylptelefolonium | 1462500.00 | 1395644.44 | |
| O-Propanoylcarnitine | 1516250.00 | 1004888.89 | |
| Otonecine_1 | 2112951.25 | 2752222.22 | |
| Otonecine_2 | 241820.00 | 651666.67 | |
| Otonecine_3 | 610075.00 | 1452617.78 | |
| Otonecine_4 | 266053.75 | 385785.56 | |
| Otonecine_5 | 482937.50 | 217955.56 | |
| PA(15:1(9Z)/0:0) | 60612.50 | 185232.22 | |
| PA(17:2(9Z,12Z)/0:0) | 1139250.00 | 695933.33 | |
| Paederoside | 359400.00 | 1635305.56 | |
| Pantetheine | 2205750.00 | 3091777.78 | |
| Pantothenate | 201500.00 | 130700.00 | |
| p-Benzoquinone_1 | 271812.50 | 295476.67 | |
| p-Benzoquinone_2 | 46787.50 | 66000.00 | |
| PC(13:0/0:0) | 7436250.00 | 16016100.00 | |
| PC(15:0/0:0)_1 | 6886987.50 | 24433333.33 | |
| PC(15:0/0:0)_2 | 2484250.00 | 3150088.89 | |
| PC(15:1(9Z)/0:0) | 3573625.00 | 8313533.33 | |
| PC(16:0/0:0) | 101866250.00 | 475344444.44 | |
| PC(16:1(9E)/0:0) | 869125.00 | 598444.44 | |
| PC(18:0/0:0) | 93217500.00 | 306766666.67 | |
| PC(18:2(2E,4E)/0:0) | 259903750.00 | 785400000.00 | |
| PC(18:3(9Z,12Z,15Z)/0:0)_1 | 281500.00 | 1716555.56 | |
| PC(18:3(9Z,12Z,15Z)/0:0)_2 | - | 17400.00 | |
| PC(20:3(8Z,11Z,14Z)/0:0) | 6929550.00 | 34149444.44 | |
| PC(20:4(5Z,8Z,11Z,14Z)/0:0) | 2290250.00 | 8576666.67 | |
| PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) | 53962.50 | 248922.22 | |
| PC(22:4(7Z,10Z,13Z,16Z)/0:0) | 774487.50 | 1329511.11 | |
| PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 20919625.00 | 4353333.33 | |
| PC(O-1:0/16:0) | 9210000.00 | 14517222.22 | |
| PC(O-16:0/3:0) | 3122625.00 | 2600000.00 | |
| PC(O-16:1(11Z)/2:0) | 35670000.00 | 115320000.00 | |
| PC(O-18:1(10E)/2:0) | 2428500.00 | 5672177.78 | |
| PC(O-18:2(9Z,12Z)/2:0) | 1803237.50 | 6896822.22 | |
| PE(18:2(9Z,12Z)/0:0) | 23346587.50 | 37011111.11 | |
| PE(20:3(8Z,11Z,14Z)/0:0) | 722950.00 | 881422.22 | |
| PE(22:4(7Z,10Z,13Z,16Z)/0:0) | 576625.00 | 299277.78 | |
| PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 27460500.00 | 31056888.89 | |
| Peganine_1 | 1747000.00 | 816744.44 | |
| Peganine_2 | 333625.00 | 434533.33 | |
| Pentachloroethane | 312962.50 | 251444.44 | |
| Pentadecanoyl-EA_1 | - | 57566.67 | |
| Pentadecanoyl-EA_2 | - | 9600.00 | |
| PGH2-EA_1 | - | 33333.33 | |
| PGH2-EA_2 | - | 4480.00 | |
| Phenacetin | 49587.50 | 569666.67 | |
| Phendimetrazine_1 | 51625.00 | 62788.89 | |
| Phendimetrazine_2 | 45100.00 | 45911.11 | |
| Phenmetrazine | 2693137.50 | 2701977.78 | |
| Phensuximide_1 | 538625.00 | 282111.11 | |
| Phensuximide_2 | 205967.50 | 77400.00 | |
| Phensuximide_3 | 1068800.00 | 583766.67 | |
| Phenylethyl alcohol_1 | 2099362.50 | 931333.33 | |
| Phenylethyl alcohol_2 | 1440600.00 | 654211.11 | |
| Phosphodimethylethanolamine | 213115.00 | 234622.22 | |
| Phthalate | 192375.00 | 486545.56 | |
| Phytuberin | 138750.00 | 127333.33 | |
| Pimelate | 343375.00 | 636075.00 | |
| Pirbuterol | 844325.00 | 286411.11 | |
| Precocene II | 57412.50 | 48400.00 | |
| Pregnenolone acetate_1 | 242450.00 | 170847.78 | |
| Pregnenolone acetate_2 | 224887.50 | 122844.44 | |
| Prinomide | 1022325.00 | 614333.33 | |
| Proclavaminic acid | 308450.00 | 1867666.67 | |
| Promegestone_1 | 2040250.00 | 2447011.11 | |
| Promegestone_2 | 40362.86 | 569911.11 | |
| Prostaglandin H2_1 | 182725.00 | 170908.89 | |
| Prostaglandin H2_2 | 87357.14 | 95440.00 | |
| Pseudopelletierine | 932737.50 | 1106333.33 | |
| PS(O-18:0/0:0)_1 | 543150.00 | 1183366.67 | |
| PS(O-18:0/0:0)_2 | 283625.00 | 520600.00 | |
| Pulcherriminic acid | 4740000.00 | 6338444.44 | |
| Pyridoxal_1 | 617250.00 | 870677.78 | |
| Pyridoxal_2 | 374375.00 | 269888.89 | |
| Pyridoxal_3 | 109275.00 | 72744.44 | |
| Pyridoxamine | 509875.00 | 396555.56 | |
| Quassin | - | 11500.00 | |
| Quinoxaline-2-carboxylic acid | 33267125.00 | 23024666.67 | |
| (R)-3-((R)-3-Hydroxybutanoyloxy)butanoate | 1940000.00 | 2193333.33 | |
| Rehmaionoside C | 33100.00 | 659800.00 | |
| Retinal | - | 19200.00 | |
| Retinoate_1 | 832125.00 | 1172877.78 | |
| Retinoate_2 | 154428.57 | 645200.00 | |
| Riboflavin | 627000.00 | 550522.22 | |
| (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1 | 3641262.50 | 5684444.44 | |
| (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2 | 130725.00 | 409000.00 | |
| (S)-2-Hydroxypropylphosphonate | 1656000.00 | 788133.33 | |
| Saccharin sodium anhydrous | 1229437.50 | 1190188.89 | |
| S-Acetylthioethanolamine | 710000.00 | 484311.11 | |
| S-Allyl-L-cysteine | 1406625.00 | 1938666.67 | |
| Sannamycin A_1 | - | 103000.00 | |
| Sannamycin A_2 | - | 6300.00 | |
| sarmentogenin | - | 35850.00 | |
| (S)-ATPA_1 | 48085.71 | 585977.78 | |
| (S)-ATPA_2 | 76750.00 | 691244.44 | |
| Schizandrin C | 408437.50 | 1942755.56 | |
| Serotonin | 1988112.50 | 718822.22 | |
| (S)-Malate | 219237.50 | 661233.33 | |
| Sodium chlorate | 9948250.00 | 9980111.11 | |
| Spermidine | 742000.00 | 301666.67 | |
| Spermine | 340262.50 | 376888.89 | |
| Sphinganine | 1434387.50 | 2724222.22 | |
| Sphingosine_1 | 551087.50 | 1044255.56 | |
| Sphingosine 1-phosphate | 673650.00 | 760412.50 | |
| Sphingosine_2 | 186500.00 | 629001.11 | |
| SR95531 | 332500.00 | 516333.33 | |
| Stearoylcarnitine_1 | 439987.50 | 1285377.78 | |
| Stearoylcarnitine_2 | 527875.00 | 789811.11 | |
| Streptobiosamine | 712375.00 | 1079144.44 | |
| Succinate_1 | 1229137.50 | 1270277.78 | |
| Succinate_2 | 423950.00 | 912211.11 | |
| Succinic anhydride_1 | 1216000.00 | 1372911.11 | |
| Succinic anhydride_2 | 870500.00 | 476555.56 | |
| Sulcatone | 347875.00 | 910222.22 | |
| Sulfoglycolithocholic acid | 8578333.33 | 96484112.50 | |
| Taurine_1 | 507750.00 | 4176222.22 | |
| Taurine_2 | 284416.67 | 629000.00 | |
| Taurocholate_1 | 14613125.00 | 238354300.00 | |
| Taurocholate_2 | 30966250.00 | 232227062.50 | |
| Taurodeoxycholate_1 | 965566.67 | 3021462.50 | |
| Taurodeoxycholate_2 | 42502.00 | 27486942.86 | |
| Taxa-4(20),11(12)-dien-5alpha-yl acetate_1 | 802937.50 | 385777.78 | |
| Taxa-4(20),11(12)-dien-5alpha-yl acetate_2 | 555175.00 | 314333.33 | |
| Taxa-4(20),11(12)-dien-5alpha-yl acetate_3 | 315212.50 | 12461.11 | |
| Terbufos | 301650.00 | 806411.11 | |
| Tetrahydropteridine | 494500.00 | 400666.67 | |
| Tetralin_1 | 125000.00 | 143777.78 | |
| Tetralin_2 | 68337.50 | 71455.56 | |
| Thiomorpholine 3-carboxylate | 297375.00 | 191333.33 | |
| THTA | 166892.50 | 136283.33 | |
| THTC | 5101500.00 | 3977000.00 | |
| Thymine_1 | 808037.50 | 862344.44 | |
| Thymine_2 | 250750.00 | 243111.11 | |
| Timolol | 775250.00 | 731277.78 | |
| Tolmetin | 305000.00 | 320222.22 | |
| Tolmetin sodium | 70253750.00 | 52683333.33 | |
| Tolylacetonitrile | 3184087.50 | 2970311.11 | |
| Toxyl angelate_1 | 811875.00 | 1585177.78 | |
| Toxyl angelate_2 | 521500.00 | 2167714.29 | |
| trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthrace... | 499062.50 | 1251800.00 | |
| trans-Cinnamate_1 | 571825.00 | 609766.67 | |
| trans-Cinnamate_2 | 563250.00 | 597944.44 | |
| Tridecanamide | 368750.00 | 304444.44 | |
| Tris(butoxyethyl)phosphate | 557300.00 | 1339625.00 | |
| Trp-P-1_1 | 102125.00 | 282055.56 | |
| Trp-P-1_2 | 107275.00 | 111066.67 | |
| Tyramine_1 | 165662.50 | 333511.11 | |
| Tyramine_2 | 102687.50 | 124555.56 | |
| Uracil_1 | 8836125.00 | 8938666.67 | |
| Uracil_2 | 1078875.00 | 1321777.78 | |
| Uracil_3 | 551250.00 | 515444.44 | |
| Urate | 2352750.00 | 1418444.44 | |
| Uridine_1 | 141800.00 | 140922.22 | |
| Uridine_2 | 108750.00 | 45677.78 | |
| Urocanate_1 | 1040512.50 | 2694888.89 | |
| Urocanate_2 | 1459475.00 | 1632544.44 | |
| Urocanate_3 | 810512.50 | 3286888.89 | |
| Urocanate_4 | 1201837.50 | 7532244.44 | |
| Virol B | 161791.25 | 442633.33 | |
| Vomitoxin | 445071.43 | 3002414.29 | |
| Wyerone | 61542.86 | 533325.00 | |
| Xanomeline | 3907500.00 | 710555.56 | |
| Xestoaminol C_1 | 1415000.00 | 633133.33 | |
| Xestoaminol C_2 | 751875.00 | 489844.44 | |
| Xylobiose | 39341.25 | 284225.00 | |
| Zearalenone | 786042.86 | 1274285.71 | |
| Zeatin | 312750.00 | 372777.78 | |
| Zingerone | 627125.00 | 624777.78 | |
| Zinnimidine_1 | 616250.00 | 499038.89 | |
| Zinnimidine_2 | 354625.00 | 216337.78 |
Factors:
| F1 | Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone |
| F2 | Strain:C57BL/6J | Treatment:control |
