Data for ST000311
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 10-Desacetyltaxuyunnanin C | 291000.00 | 4238714.29 | |
| 10E,12E-tetradecadiene-4,6-diynoic acid | 74062.50 | 72611.11 | |
| 10-fluoro-capric acid_1 | 401625.00 | 441777.78 | |
| 10-fluoro-capric acid_2 | - | 80700.00 | |
| 10-fluoro-capric acid_3 | - | 69400.00 | |
| 10-fluoro-capric acid_4 | - | 157000.00 | |
| 10-oxo-nonadecanoic acid | 33300.00 | 192722.22 | |
| 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-... | 134875.00 | 297111.11 | |
| 11-Chloro-8E,10E-undecadien-1-ol | 19400.00 | 444950.00 | |
| 11H-Benz[bc]aceanthrylene | 2177500.00 | 2166666.67 | |
| 1,2,3-Trihydroxybenzene | 8398750.00 | 8157777.78 | |
| 1,2,6-Hexanetriol | 1261250.00 | 1663333.33 | |
| 14^-apo-beta-Carotenal | - | 40800.00 | |
| 16-bromo-9E-hexadecenoic acid | - | 158000.00 | |
| 1,8-Dinitropyrene | 599375.00 | 1052266.67 | |
| 1^-Acetoxyeugenol acetate_1 | 1788750.00 | 1033666.67 | |
| 1^-Acetoxyeugenol acetate_2 | 93525.00 | 48528.57 | |
| 1-Aminocyclopropane-1-carboxylate | 660625.00 | 753555.56 | |
| 1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol | 193762.50 | 521722.22 | |
| 1-Hydroxy-2-methyl-2-butenyl 4-diphosphate | 1247500.00 | 1286666.67 | |
| 1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine | 330300.00 | 495777.78 | |
| 1-Phenylethylamine | 436000.00 | 682888.89 | |
| 1-Pyrroline-2-carboxylate | 1196250.00 | 466000.00 | |
| 1-Tridecene-3,5,7,9,11-pentayne | 605375.00 | 680888.89 | |
| 2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acet... | 157450.00 | 438422.22 | |
| 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_1 | 125271.43 | 1176755.56 | |
| 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid_2 | 11200.00 | 66000.00 | |
| 2,3,5-Trihydroxytoluene | 69337.50 | 157766.67 | |
| 2,3,6-Trihydroxypyridine | 346000.00 | 523000.00 | |
| 2,3-Dimethylmaleate | 7145000.00 | 7125555.56 | |
| 2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile | 43712.50 | 34811.11 | |
| 2-(3^-Methylthio)propylmalic acid | 614000.00 | - | |
| 2,4,5-Trichloro-2,5-cyclohexadiene-1-ol | 1039750.00 | 1106888.89 | |
| 2,4,6-Trichloro-4^-biphenylol | 472875.00 | 454111.11 | |
| 2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_1 | 442250.00 | 897111.11 | |
| 2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_2 | 26685.71 | 350022.22 | |
| 2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_3 | 16420.00 | 60000.00 | |
| 2,4-DP | 1066500.00 | 1054777.78 | |
| 2,5-Dichloro-4-oxohex-2-enedioate | 91037500.00 | 93244444.44 | |
| 2,5-Dioxopentanoate | 192000.00 | 143555.56 | |
| 2-(6^-Methylthio)hexylmalic acid | 4033750.00 | 667222.22 | |
| 2-Aceto-2-hydroxybutanoate | 1321000.00 | 1280444.44 | |
| 2-Amino-9,10-epoxy-8-oxodecanoic acid | 242850.00 | 96128.57 | |
| 2-Amino-9H-pyrido[2,3-b]indole | 580000.00 | 752111.11 | |
| 2-Aminoadenosine | 159125.00 | 80771.43 | |
| 2-Aminomuconate | 467500.00 | 145700.00 | |
| 2-Chloro-cis,cis-muconate | 109712.50 | 113155.56 | |
| 2E,4Z-Heptadien-1-ol | 5172500.00 | 4475111.11 | |
| 2-Ethylhexyl phthalate_1 | 130200.00 | 69233.33 | |
| 2-Ethylhexyl phthalate_2 | 102212.50 | 88477.78 | |
| 2-Ethylhexyl phthalate_3 | 644375.00 | 668777.78 | |
| 2-Furoate | 502750.00 | 499000.00 | |
| 2-Hydroxycyclohexan-1-one | 3005000.00 | 2439777.78 | |
| 2-Hydroxyethylphosphonate | 56900.00 | 459823.33 | |
| 2-Hydroxymethylclavam | 3641250.00 | 3773333.33 | |
| 2-Naphthylamine_1 | 713750.00 | 828555.56 | |
| 2-Naphthylamine_2 | 1225875.00 | 778555.56 | |
| 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl)... | 164150.00 | 441777.78 | |
| 2-Oxoglutaramate | 643500.00 | 951333.33 | |
| 2-Oxosuberate | 10767500.00 | 12975555.56 | |
| 2R-aminoheptanoic acid_1 | 1583375.00 | 2192222.22 | |
| 2R-aminoheptanoic acid_2 | 408625.00 | 163888.89 | |
| 2R-aminoheptanoic acid_3 | 8933750.00 | 11500000.00 | |
| 2-Thiophenesulfonamide | 560750.00 | 579444.44 | |
| 3-(2-Hydroxyphenyl)propanoate | 582875.00 | 545111.11 | |
| 3,3^-Dimethylbisphenol A | - | 620250.00 | |
| 3,4-Dihydroxyphenylethyleneglycol_1 | 266000.00 | 308888.89 | |
| 3,4-Dihydroxyphenylethyleneglycol_2 | 43425.00 | 24866.67 | |
| 3,4-Methylenedioxymethamphetamine_1 | 194125.00 | 257777.78 | |
| 3,4-Methylenedioxymethamphetamine_2 | 1890000.00 | 1904444.44 | |
| 3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_1 | 195125.00 | 186888.89 | |
| 3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_2 | 19025.00 | 208200.00 | |
| 3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_3 | 28040.00 | 266722.22 | |
| 3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene_4 | - | 96150.00 | |
| 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_1 | - | 419250.00 | |
| 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_2 | - | 492750.00 | |
| 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_3 | - | 71500.00 | |
| 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_4 | - | 87800.00 | |
| 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate_5 | - | 66800.00 | |
| 3-amino-octanoic acid_1 | 43675000.00 | 27077777.78 | |
| 3-amino-octanoic acid_2 | 1043000.00 | 1957777.78 | |
| (3-Arylcarbonyl)-alanine_1 | 4891250.00 | 1268333.33 | |
| (3-Arylcarbonyl)-alanine_2 | 158500.00 | 135155.56 | |
| 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone | 30212500.00 | 32277777.78 | |
| 3-Chloro-D-alanine_1 | 513250.00 | 856888.89 | |
| 3-Chloro-D-alanine_2 | 94125.00 | 96066.67 | |
| 3-Chloro-D-alanine_3 | 144562.50 | 126911.11 | |
| 3-Dehydroecdysone_1 | 18480.00 | 943171.43 | |
| 3-Dehydroecdysone_2 | - | 499000.00 | |
| 3-Dehydroshikimate | 56412.50 | 53844.44 | |
| 3-Deoxyvitamin D3 | 2831250.00 | 2381777.78 | |
| 3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1 | 1074250.00 | 20422444.44 | |
| 3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2 | 454500.00 | 4087000.00 | |
| 3-Hydroxyanthranilate | 204625.00 | 138377.78 | |
| 3-Hydroxy-L-glutamate | 421625.00 | 585000.00 | |
| 3-Ketosphingosine | 118237.50 | 4677588.89 | |
| 3-Methyl-2-oxobutanoic acid | 14725000.00 | 14788888.89 | |
| 3-Methyleneoxindole_1 | 1875000.00 | 1862111.11 | |
| 3-Methyleneoxindole_2 | 1522500.00 | 1237222.22 | |
| 3-Methyleneoxindole_3 | 87000.00 | 111355.56 | |
| 3-Methylguanine_1 | 2840000.00 | 3291111.11 | |
| 3-Methylguanine_2 | 315375.00 | 240111.11 | |
| 3-O-alpha-Mycarosylerythronolide B | 158437.50 | 565444.44 | |
| 3-Oxochola-1,4-dien-24-oic Acid_1 | 92500.00 | 733314.29 | |
| 3-Oxochola-1,4-dien-24-oic Acid_2 | - | 170500.00 | |
| 3-Oxochola-1,4-dien-24-oic Acid_3 | 14971.43 | 157275.00 | |
| 3-Sulfocatechol | 415125.00 | 678333.33 | |
| 3-Sulfomuconate | 303500.00 | 378222.22 | |
| 3-Sulfopyruvate_1 | 83875.00 | 76622.22 | |
| 3-Sulfopyruvate_2 | 101085.71 | 53955.56 | |
| 3-tert-Butyl-5-methylcatechol_1 | 76637.50 | 100155.56 | |
| 3-tert-Butyl-5-methylcatechol_2 | 11264.29 | 154811.11 | |
| 4,10-undecadiynal | 3458750.00 | 2965222.22 | |
| 4,6^-Epoxyorotiniflavan-4-ol | 3412500.00 | 1223111.11 | |
| 4,7-dioxo-octanoic acid | 112537.50 | 110022.22 | |
| 4-Acetamidobutanoate_1 | 429375.00 | 372666.67 | |
| 4-Acetamidobutanoate_2 | 242375.00 | 259000.00 | |
| 4-Amino-2-hydroxylamino-6-nitrotoluene_1 | 163712.50 | 334666.67 | |
| 4-Amino-2-hydroxylamino-6-nitrotoluene_2 | 180287.50 | 508555.56 | |
| 4-Aminobiphenyl | 1323750.00 | 1159444.44 | |
| 4-Aminobutanoate | 2127500.00 | 1743333.33 | |
| 4-Cumylphenol | 59683.33 | 51685.71 | |
| 4-Dodecylphenol_1 | 362750.00 | 1954111.11 | |
| 4-Dodecylphenol_2 | 85100.00 | 203255.56 | |
| 4-Fluorocyclohexadiene-cis,cis-1,2-diol_1 | 2041250.00 | 2225555.56 | |
| 4-Fluorocyclohexadiene-cis,cis-1,2-diol_2 | 1412750.00 | 1388444.44 | |
| 4-Guanidinobutanal_1 | 149625.00 | 455222.22 | |
| 4-Guanidinobutanal_2 | 268950.00 | 176150.00 | |
| 4-Guanidinobutanoate_1 | 336000.00 | 217444.44 | |
| 4-Guanidinobutanoate_2 | 2718750.00 | 2893333.33 | |
| 4-Hydroxy-3-nitrosobenzamide | 154400.00 | 390377.78 | |
| 4-Hydroxy-4-methylglutamate | 274125.00 | 752222.22 | |
| 4-Hydroxybutanoic acid_1 | 397250.00 | 399744.44 | |
| 4-Hydroxybutanoic acid_2 | 821250.00 | 1317000.00 | |
| 4-Hydroxybutanoic acid_3 | 116050.00 | 99255.56 | |
| 4-Hydroxyphenylacetate | 1181250.00 | 1193333.33 | |
| 4-Ketocyclophosphamide | 376812.50 | 270622.22 | |
| 4^-Methoxychalcone | 590500.00 | - | |
| 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol | 905500.00 | 1017888.89 | |
| 4-Nitrophenol | 150912.50 | 121322.22 | |
| 4-Oxoproline_1 | 22437500.00 | 36744444.44 | |
| 4-Oxoproline_2 | 7352500.00 | 11417777.78 | |
| 4-Phenethylphenol | 1014625.00 | 1100444.44 | |
| 4-Prenylresveratrol | 454125.00 | 508777.78 | |
| 4-Pyridoxate | 363625.00 | 151544.44 | |
| 4-Vinylcyclohexene | 8858750.00 | 7326666.67 | |
| (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_1 | 1860250.00 | 13084444.44 | |
| (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid_2 | 59387.50 | 63100.00 | |
| (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1 | 119762.50 | 966666.67 | |
| (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2 | 77900.00 | 442222.22 | |
| (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3 | - | 1247750.00 | |
| (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_4 | 38228.57 | 165511.11 | |
| 5-(2-Hydroxyethyl)-4-methylthiazole | 233825.00 | 35888.89 | |
| 5,6-Dihydrothymine_1 | 533750.00 | 611666.67 | |
| 5,6-Dihydrothymine_2 | 241000.00 | 180266.67 | |
| 5,6-Dihydrouracil | 3265000.00 | 1942222.22 | |
| 5,7,9,11,13-tetradecapentaenoic acid_1 | 388750.00 | 330222.22 | |
| 5,7,9,11,13-tetradecapentaenoic acid_2 | 19262.50 | 92783.33 | |
| 5,7,9,11,13-tetradecapentaenoic acid_3 | 12387.50 | 77922.22 | |
| 5-Acetamidopentanoate_1 | 756250.00 | 386911.11 | |
| 5-Acetamidopentanoate_2 | 829987.50 | 513288.89 | |
| 5-Acetamidopentanoate_3 | 80725.00 | 85211.11 | |
| 5alpha-Androstan-17beta-ol propionate | 53162.50 | 274333.33 | |
| 5-Aminolevulinate_1 | 793500.00 | 898777.78 | |
| 5-Aminolevulinate_2 | 224750.00 | 215777.78 | |
| 5-Aminolevulinate_3 | 1317750.00 | 1371111.11 | |
| 5-exo-Hydroxy-1,2-campholide | 13028750.00 | 15577777.78 | |
| 5-Guanidino-2-oxopentanoate | 388875.00 | 173077.78 | |
| 5-Hydroxyindoleacetate_1 | 752625.00 | 305666.67 | |
| 5-Hydroxyindoleacetate_2 | 546875.00 | 531555.56 | |
| 5-Hydroxy-L-tryptophan_1 | 198750.00 | 474000.00 | |
| 5-Hydroxy-L-tryptophan_2 | 154475.00 | 261422.22 | |
| 5-Hydroxy-L-tryptophan_3 | 128300.00 | 211000.00 | |
| 5-Hydroxypentanoate_1 | 294125.00 | 315111.11 | |
| 5-Hydroxypentanoate_2 | 3406250.00 | 2944444.44 | |
| 5-L-Glutamyl-taurine | 198400.00 | 1102222.22 | |
| 5-Methylthiopentanaldoxime | 1207875.00 | 1871111.11 | |
| 5-Nitro-ortho-anisidine | 17487500.00 | 27944444.44 | |
| 5-N-Methyloxaluric acid | 178000.00 | 297777.78 | |
| 5-O-Methyl-myo-inositol | 500250.00 | 128577.78 | |
| 5S-HETE di-endoperoxide | 23487.50 | 118644.44 | |
| 5-Sulfosalicylate_1 | 166125.00 | 129088.89 | |
| 5-Sulfosalicylate_2 | 64537.50 | 61066.67 | |
| 5-Sulfosalicylate_3 | 817875.00 | 1683444.44 | |
| 5-Ureido-4-imidazole carboxylate_1 | 1462625.00 | 1188000.00 | |
| 5-Ureido-4-imidazole carboxylate_2 | 692750.00 | 286777.78 | |
| 6,8-Dimethyl-6,7,8,9-tetradehydroergoline | 109000.00 | 286066.67 | |
| 6,8-Dimethyl-6,7-didehydroergoline_1 | 32362.50 | 723822.22 | |
| 6,8-Dimethyl-6,7-didehydroergoline_2 | - | 120000.00 | |
| (6Z,9Z,12Z)-Octadecatrienoic acid_1 | 558250.00 | 939444.44 | |
| (6Z,9Z,12Z)-Octadecatrienoic acid_2 | 275725.00 | 769777.78 | |
| (6Z,9Z,12Z)-Octadecatrienoic acid_3 | 573125.00 | 2360000.00 | |
| 7,8-Diaminononanoate | 10742500.00 | 14944444.44 | |
| 7-Chloroemodin | 858000.00 | 1021666.67 | |
| 7-oxo-11E,13-Tetradecadienoic acid_1 | 274937.50 | 275000.00 | |
| 7-oxo-11E,13-Tetradecadienoic acid_2 | 222125.00 | 211555.56 | |
| 8-Deoxylactucin | 406625.00 | 232357.14 | |
| (8Z,11Z,14Z)-Icosatrienoic acid | 105550.00 | 657111.11 | |
| 9,12,13-TriHOME_1 | 201000.00 | 435666.67 | |
| 9,12,13-TriHOME_2 | 206750.00 | 389666.67 | |
| 9,12,15-Octadecatrien-1-ol | - | 50800.00 | |
| 9,12-Hexadecadienylcarnitine | 247712.50 | 1547222.22 | |
| 9-amino-nonanoic acid | 327500.00 | 861666.67 | |
| (9Z)-Hexadecenoic acid_1 | 98750.00 | 165677.78 | |
| (9Z)-Hexadecenoic acid_2 | 83062.50 | 317011.11 | |
| (9Z)-Hexadecenoic acid_3 | 55912.50 | 69544.44 | |
| (9Z)-Hexadecenoic acid_4 | 61112.50 | 102322.22 | |
| (9Z)-Octadecenoic acid | 259175.00 | 1127666.67 | |
| Abacavir | 579625.00 | 3530333.33 | |
| Abietate_1 | 123412.50 | 1478000.00 | |
| Abietate_2 | 3674750.00 | 16882666.67 | |
| Acutumidine | 1457142.86 | 1515555.56 | |
| Agroclavine_1 | 108700.00 | 353750.00 | |
| Agroclavine_2 | 69875.00 | 227725.00 | |
| Alantolactone_1 | 17300.00 | 38850.00 | |
| Alantolactone_2 | - | 119500.00 | |
| Albafuran A | 146362.50 | 365766.67 | |
| Allantoate | 246750.00 | 500666.67 | |
| Allantoin | 8198750.00 | 4363333.33 | |
| Allidochlor_1 | 1017762.50 | 982111.11 | |
| Allidochlor_2 | 53137.50 | 41511.11 | |
| alpha-Ergocryptine | 153657.14 | 371888.89 | |
| alpha-Erythroidine | 272125.00 | 358888.89 | |
| alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol | 89600.00 | 122333.33 | |
| alpha-Ionone_1 | 21197.50 | 87577.78 | |
| alpha-Ionone_2 | 12543.33 | 55888.89 | |
| alpha-Methylstyrene_1 | 772875.00 | 960555.56 | |
| alpha-Methylstyrene_2 | 245500.00 | 207533.33 | |
| alpha-Oxo-benzeneacetic acid | 405250.00 | 306666.67 | |
| alpha-Ribazole | 135725.00 | 249777.78 | |
| alpha-Santonin | 22105.00 | 60344.44 | |
| alpha-Sinensal_1 | 1705000.00 | 1553333.33 | |
| alpha-Sinensal_2 | 118037.50 | 75488.89 | |
| Aminoimidazole ribotide | 7723750.00 | 7094444.44 | |
| Ammeline | 810375.00 | 1078555.56 | |
| Anandamide (18:3, n-6) | 45075.00 | 245944.44 | |
| (-)-Annonaine | 490000.00 | 84122.22 | |
| Anthopleurine | 84712.50 | 388125.00 | |
| Anthranilate | 336500.00 | 393555.56 | |
| Apigenin | 45775.00 | 142144.44 | |
| Arachidonate_1 | 1342250.00 | 20332222.22 | |
| Arachidonate_2 | 125787.50 | 202222.22 | |
| Arnebinol | 17487.50 | 109300.00 | |
| Aromatic aldehyde_1 | 657750.00 | 713777.78 | |
| Aromatic aldehyde_2 | 164625.00 | 193888.89 | |
| Aspartame_1 | 552375.00 | 715666.67 | |
| Aspartame_2 | - | 257000.00 | |
| Bakkenolide A_1 | 36062.50 | 309344.44 | |
| Bakkenolide A_2 | 582750.00 | 609333.33 | |
| Bakkenolide A_3 | 11250.00 | 90077.78 | |
| Batrachotoxin | 2478500.00 | 3916666.67 | |
| Bentazone-sodium | - | 499000.00 | |
| Benz[a]acridine_1 | 4201250.00 | 2215222.22 | |
| Benz[a]acridine_2 | - | 278500.00 | |
| Benz[a]acridine_3 | - | 83400.00 | |
| Benzimidazole | 98850.00 | 104033.33 | |
| Benzoate | 1216250.00 | 1554444.44 | |
| Benzofuran | 105100.00 | 149666.67 | |
| Benzotrichloride | 526625.00 | 647555.56 | |
| Benzoyl phosphate | 143912.50 | 258766.67 | |
| Benzyl 2-methyl-3-oxobutanoate | 1263750.00 | 1502888.89 | |
| Benzyl nicotinate | 30025.00 | 297255.56 | |
| beta-Carboline | 94375.00 | 276033.33 | |
| Betamethasone | 163375.00 | 344444.44 | |
| Biochanin A | 21183.33 | 192066.67 | |
| Biotin | 374875.00 | 253366.67 | |
| Bis(chloromethyl) ether | 1001500.00 | 973000.00 | |
| Bixin_1 | 301250.00 | 541222.22 | |
| Bixin_2 | 92250.00 | 149600.00 | |
| (+)-Bornane-2,5-dione_1 | 181000.00 | 127722.22 | |
| (+)-Bornane-2,5-dione_2 | - | 482000.00 | |
| (+)-Bornane-2,5-dione_3 | 32000.00 | 170257.14 | |
| Botrydial | 371000.00 | 560888.89 | |
| Buclizine | 200875.00 | 257155.56 | |
| Bufadienolide | 562875.00 | 9730777.78 | |
| Buprenorphine_1 | 423250.00 | 713444.44 | |
| Buprenorphine_2 | - | 149000.00 | |
| Buprenorphine_3 | 57900.00 | - | |
| Butabarbital_1 | 263500.00 | 631888.89 | |
| Butabarbital_2 | 37533.33 | 93283.33 | |
| Calcium glycerophosphate | 433250.00 | 342888.89 | |
| Calystegin B2 | 47075.00 | 222788.89 | |
| Capillanol | 88925.00 | 98588.89 | |
| CCCP | 370000.00 | 287888.89 | |
| Cholesterol sulfate | - | 184000.00 | |
| Cinnamaldehyde_1 | 85612.50 | 120655.56 | |
| Cinnamaldehyde_2 | 85137.50 | 84688.89 | |
| Cinnamaldehyde_3 | 726750.00 | 609777.78 | |
| cis-2,3-Dihydro-2,3-dihydroxybiphenyl_1 | 67425.00 | 45677.78 | |
| cis-2,3-Dihydro-2,3-dihydroxybiphenyl_2 | 64125.00 | 32157.14 | |
| Clopyralid | 250625.00 | 217444.44 | |
| Codeinone | 115762.50 | 129777.78 | |
| Corticosterone_1 | 1132750.00 | 737000.00 | |
| Corticosterone_2 | 33342.86 | 61325.00 | |
| Coumarin_1 | 95625.00 | 228100.00 | |
| Coumarin_2 | 88750.00 | 77077.78 | |
| Coumestrol 3-O-glucoside | 101650.00 | 434566.67 | |
| Creatine | 89500000.00 | 91366666.67 | |
| Crotanecine_1 | 4599375.00 | 1162411.11 | |
| Crotanecine_2 | 70812.50 | 43533.33 | |
| Cucurbic acid_1 | 256750.00 | 243666.67 | |
| Cucurbic acid_2 | 164375.00 | 157611.11 | |
| Cyclohexane-1,3-dione_1 | 265625.00 | 122222.22 | |
| Cyclohexane-1,3-dione_2 | 1211250.00 | 1290000.00 | |
| Cyclohexane-1,3-dione_3 | 516500.00 | 601222.22 | |
| Cyclohexylsulfamate | 980125.00 | 1040444.44 | |
| Cytidine | 3883750.00 | 2596555.56 | |
| Cytosine_1 | 3422500.00 | 2295000.00 | |
| Cytosine_2 | 1447500.00 | 698000.00 | |
| Deazaflavin | 554500.00 | 1831111.11 | |
| Debromoaplysiatoxin | - | 660250.00 | |
| Decoside | - | 70800.00 | |
| Deethylatrazine | 91725000.00 | 111055555.56 | |
| Dehydrospermidine | 290875.00 | 336777.78 | |
| Deisopropyldeethylatrazine | 195750.00 | 187777.78 | |
| Dethiobiotin_1 | 112350.00 | 370333.33 | |
| Dethiobiotin_2 | 124762.50 | 125477.78 | |
| D-Galactose 6-sulfate | 711500.00 | 714000.00 | |
| D-Glucarate | 488625.00 | 568000.00 | |
| D-Glucose | 955625.00 | 813777.78 | |
| Diacetylaminoazotoluene | 85737.50 | 187888.89 | |
| Dienestrol_1 | 238625.00 | 513888.89 | |
| Dienestrol_2 | 559250.00 | 950333.33 | |
| Diethylene glycol_1 | 58550.00 | 49644.44 | |
| Diethylene glycol_2 | 1218000.00 | 1601111.11 | |
| Diethylpropion | 298825.00 | 390666.67 | |
| Difenpiramide_1 | 268000.00 | 299777.78 | |
| Difenpiramide_2 | 218650.00 | 641285.71 | |
| Dihydro-4,4-dimethyl-2,3-furandione_1 | 261662.50 | 318222.22 | |
| Dihydro-4,4-dimethyl-2,3-furandione_2 | 2947500.00 | 3647777.78 | |
| Dihydro-4,4-dimethyl-2,3-furandione_3 | 1758750.00 | 1752222.22 | |
| Dimepiperate | 320375.00 | 371888.89 | |
| Dimethisterone | 15628.57 | 650914.29 | |
| Dinitrochlorobenzene_1 | 1756250.00 | 1643333.33 | |
| Dinitrochlorobenzene_2 | 62262.50 | 44911.11 | |
| Dinitrochlorobenzene_3 | 75312.50 | 60900.00 | |
| Diosgenin_1 | - | 746000.00 | |
| Diosgenin_2 | - | 460500.00 | |
| D-Lysopine | 1193000.00 | 1546444.44 | |
| Dobutamine | 3607500.00 | 5085555.56 | |
| D-Octopine | 63257.14 | 302475.00 | |
| Dodecanamide | 29425000.00 | 29144444.44 | |
| Dodemorph | 197375.00 | 385666.67 | |
| Dopamine | 196875.00 | 131566.67 | |
| D-Ribitol 5-phosphate | 223750.00 | 413888.89 | |
| D-Ribose | 5312500.00 | 5924444.44 | |
| (E)-4-(Trimethylammonio)but-2-enoate | 70075000.00 | 82222222.22 | |
| Epothilone C | - | 591000.00 | |
| Ethephon | 732750.00 | 716444.44 | |
| Etidronic acid | 49000.00 | 34288.89 | |
| Etodolac | 14560000.00 | 15844444.44 | |
| Fagomine_1 | 3983375.00 | 5820000.00 | |
| Fagomine_2 | 436375.00 | 166900.00 | |
| Felbamate | 23233.33 | 580088.89 | |
| Fenoprofen | 202500.00 | 426666.67 | |
| Ferricyanide_1 | 133750.00 | 170022.22 | |
| Ferricyanide_2 | 1062125.00 | 330222.22 | |
| Fexofenadine | 6757500.00 | 11582222.22 | |
| Fludrocortisone acetate | 120725.00 | 277800.00 | |
| Furfural diethyl acetal_1 | 837750.00 | 984444.44 | |
| Furfural diethyl acetal_2 | 179500.00 | 168333.33 | |
| Furfural diethyl acetal_3 | 104212.50 | 118488.89 | |
| Fusicoccin H_1 | 68466.67 | 1271714.29 | |
| Fusicoccin H_2 | 54216.67 | 943000.00 | |
| gamma-Coniceine | 728750.00 | 708111.11 | |
| gamma-Glutamyl-gamma-aminobutyraldehyde | - | 492000.00 | |
| gamma-L-Glutamyl-D-alanine | - | 598000.00 | |
| gamma-L-Glutamyl-L-cysteinyl-beta-alanine | 44475.00 | 231111.11 | |
| Glutarate_1 | 182987.50 | 182444.44 | |
| Glutarate_2 | 711750.00 | 710111.11 | |
| Glycocholate_1 | 84966.67 | 6599425.00 | |
| Glycocholate_2 | 21475.00 | 412714.29 | |
| Glycyl-leucine_1 | 1032012.50 | 1147333.33 | |
| Glycyl-leucine_2 | 890500.00 | 1198555.56 | |
| Glycyl-leucine_3 | 77125.00 | 301888.89 | |
| GV 150013X | 179620.00 | 1965571.43 | |
| Gymnodimine_1 | 169212.50 | 365333.33 | |
| Gymnodimine_2 | 42575.00 | 113477.78 | |
| Heneicosanedioic acid_1 | 148112.50 | 279288.89 | |
| Heneicosanedioic acid_2 | 69862.50 | 224444.44 | |
| hexadecanedioic acid mono-L-carnitine ester | - | 672600.00 | |
| Hexadecasphinganine | 430000.00 | 409555.56 | |
| Hexylamine | 1798750.00 | 2490000.00 | |
| Himbacine | - | 553250.00 | |
| Hippurate | 10063750.00 | 8364444.44 | |
| Histamine | 298537.50 | 330888.89 | |
| Hoechst 33342 | - | 1000000.00 | |
| Homostachydrine | 25962500.00 | 27366666.67 | |
| Imazaquin | 701750.00 | 1275666.67 | |
| Indole_1 | 232500.00 | 253666.67 | |
| Indole_2 | 932250.00 | 1120888.89 | |
| Indole_3 | 21925.00 | 68355.56 | |
| Indole-3-acetaldehyde_1 | 1161125.00 | 4830888.89 | |
| Indole-3-acetaldehyde_2 | 96662.50 | 141466.67 | |
| Indole-3-acetate_1 | 1626375.00 | 636711.11 | |
| Indole-3-acetate_2 | 24812.50 | 38888.89 | |
| Indole_4 | 299000.00 | 246755.56 | |
| Indoleamine | 909500.00 | 939666.67 | |
| Indolelactate | 1690000.00 | 1203888.89 | |
| Indospicine | 1805875.00 | 2178888.89 | |
| Ipazine | 77900.00 | 120657.14 | |
| Isodomedin | 15333.33 | 193450.00 | |
| Isoquinoline_1 | 1648750.00 | 848555.56 | |
| Isoquinoline_2 | 949875.00 | 1068777.78 | |
| Isoquinoline_3 | 567875.00 | 616888.89 | |
| Isovalerylcarnitine | 2182500.00 | 1225888.89 | |
| (-)-Jolkinol A | - | 505000.00 | |
| Karwinaphthol B | 418125.00 | 824666.67 | |
| Ketoprofen | 135971.43 | 432142.86 | |
| L-2,4-Diaminobutanoate_1 | 202750.00 | 237333.33 | |
| L-2,4-Diaminobutanoate_2 | 790875.00 | 919222.22 | |
| L-2-Aminoadipate_1 | 399125.00 | 826722.22 | |
| L-2-Aminoadipate_2 | 205500.00 | 192911.11 | |
| L-Arginine | 1097750.00 | 4369666.67 | |
| L-Asparagine_1 | 4710000.00 | 2834444.44 | |
| L-Asparagine_2 | 203750.00 | 297000.00 | |
| L-Aspartate 4-semialdehyde | 1013625.00 | 1150666.67 | |
| Latia luciferin | 46937.50 | 178955.56 | |
| L-Carnitine | 40337500.00 | 50677777.78 | |
| L-Citrulline_1 | 334625.00 | 221111.11 | |
| L-Citrulline_2 | 2855000.00 | 4093333.33 | |
| L-Cysteate | 1246250.00 | 1170111.11 | |
| Lemobiline | - | 798250.00 | |
| Leukotriene A4_1 | 140950.00 | 395566.67 | |
| Leukotriene A4_2 | 16466.67 | 153433.33 | |
| Levetiracetam | 382250.00 | 289722.22 | |
| L-Glutamate_1 | 131125.00 | 87633.33 | |
| L-Glutamate_2 | 1178875.00 | 1503333.33 | |
| L-Glutamate_3 | 540125.00 | 437666.67 | |
| L-Glutamine | 21875000.00 | 35000000.00 | |
| L-Histidine | 4857500.00 | 6167333.33 | |
| L-Homocysteic acid | 324250.00 | 368777.78 | |
| Lichenin_1 | 9883750.00 | 9905555.56 | |
| Lichenin_2 | 686500.00 | 905333.33 | |
| L-Iduronate 2-sulfate_1 | 1153125.00 | 432777.78 | |
| L-Iduronate 2-sulfate_2 | 125100.00 | 95455.56 | |
| Linoleamide_1 | 37125.00 | 82355.56 | |
| Linoleamide_2 | - | 1160800.00 | |
| Linoleate_1 | 621350.00 | 3376555.56 | |
| Linoleate_2 | 114912.50 | 345000.00 | |
| Linoleate_3 | 89100.00 | 90344.44 | |
| L-Kynurenine | 3452500.00 | 2957777.78 | |
| L-Leucine_1 | 310750000.00 | 354111111.11 | |
| L-Leucine_2 | 212125000.00 | 221555555.56 | |
| L-Lysine | 1060000.00 | 1942000.00 | |
| L-Methionine | 102125000.00 | 115288888.89 | |
| L-Methionine S-oxide_1 | 159375.00 | 134111.11 | |
| L-Methionine S-oxide_2 | 357625.00 | 1241444.44 | |
| L-Methionine S-oxide_3 | 49312.50 | 50666.67 | |
| L-Octanoylcarnitine | 270125.00 | 431111.11 | |
| L-Olivosyl-oleandolide_1 | 305662.50 | 5443714.29 | |
| L-Olivosyl-oleandolide_2 | 585937.50 | 11351428.57 | |
| L-Ornithine | 898000.00 | 1775444.44 | |
| Lovastatin | - | 937666.67 | |
| L-Palmitoylcarnitine | 589375.00 | 2218555.56 | |
| L-Phenylalanine | 394125000.00 | 431666666.67 | |
| L-Pipecolate_1 | 10866250.00 | 6472666.67 | |
| L-Pipecolate_2 | 358875.00 | 304333.33 | |
| L-Proline | 54412500.00 | 69333333.33 | |
| L-Serine | 402000.00 | 763666.67 | |
| L-Threonine_1 | 702000.00 | 876666.67 | |
| L-Threonine_2 | 4968750.00 | 8462222.22 | |
| L-Tryptophan | 235125000.00 | 286444444.44 | |
| L-Tyrosine | 76337500.00 | 98466666.67 | |
| L-Valine_1 | 255750000.00 | 294000000.00 | |
| L-Valine_2 | 61512500.00 | 73744444.44 | |
| Lycodine | 3813750.00 | 3950000.00 | |
| Lythramine_1 | 1231587.50 | 19869222.22 | |
| Lythramine_2 | 1910525.00 | 26958944.44 | |
| Maculosin | 545750.00 | 700222.22 | |
| Magnoshinin | 1747500.00 | 1383777.78 | |
| Mandelonitrile | 365000.00 | 143366.67 | |
| Mannitol | 7758750.00 | 9982222.22 | |
| Mansonone C | 51466.67 | 166560.00 | |
| Mebenil | 284228.57 | 3824014.29 | |
| Mercury(2+) | 850462.50 | 874888.89 | |
| Metalaxyl | 393125.00 | 132266.67 | |
| Methohexital | 150637.50 | 968777.78 | |
| Methyl 2-diazoacetamidohexonate | 292375.00 | 348555.56 | |
| Methyl acetyl ricinoleate | 211362.50 | 432111.11 | |
| Methylimidazoleacetic acid_1 | 1105750.00 | 531777.78 | |
| Methylimidazoleacetic acid_2 | 362125.00 | 214333.33 | |
| Methylimidazoleacetic acid_3 | 1032250.00 | 506777.78 | |
| Methyl methanesulfonate | 510750.00 | 955333.33 | |
| Metipranolol_1 | 133937.50 | 394777.78 | |
| Metipranolol_2 | 96550.00 | 192133.33 | |
| MG(16:0/0:0/0:0)[rac] | 22837.50 | 347288.89 | |
| Myriocin | 35712.50 | 311588.89 | |
| N1-Methyl-2-pyridone-5-carboxamide_1 | 3206250.00 | 2055555.56 | |
| N1-Methyl-2-pyridone-5-carboxamide_2 | 67737.50 | 151644.44 | |
| N-(3,4-Dichlorophenyl)-malonamate | 244250.00 | 421666.67 | |
| N5-Phenyl-L-glutamine_1 | 241125.00 | 208000.00 | |
| N5-Phenyl-L-glutamine_2 | 702250.00 | 2132777.78 | |
| N6-Acetyl-N6-hydroxy-L-lysine | 1670000.00 | 2170000.00 | |
| N6-(delta2-Isopentenyl)-adenine_1 | 32915000.00 | 50150000.00 | |
| N6-(delta2-Isopentenyl)-adenine_2 | 40062175.71 | 32183775.00 | |
| N(6)-[(Indol-3-yl)acetyl]-L-lysine | 122550.00 | 337200.00 | |
| N6-Methyl-L-lysine | 1116000.00 | 1545666.67 | |
| N-Acetyl-D-fucosamine | 28312500.00 | 34211111.11 | |
| N-Acetyl-D-tryptophan | 682500.00 | 779444.44 | |
| N-Acetyl-L-glutamate 5-semialdehyde | 930000.00 | 486777.78 | |
| N-Acetyl-L-histidine | 1303000.00 | 572111.11 | |
| N-Acetyl-L-leucine_1 | 1703250.00 | 825000.00 | |
| N-Acetyl-L-leucine_2 | 1045875.00 | 532000.00 | |
| N-Acetyl-L-leucine_3 | 93487.50 | 74533.33 | |
| N-Acetyl-L-leucine_4 | 44912.50 | 34133.33 | |
| N-Acetyl-L-leucine_5 | 41400.00 | 37222.22 | |
| N-Acetyl-L-leucine_6 | 26112.50 | 36677.78 | |
| N-Acetyl-L-phenylalanine | 1182875.00 | 808444.44 | |
| N-Acetylmethionine | 234125.00 | 230222.22 | |
| N-Acetylornithine_1 | 63837.50 | 239355.56 | |
| N-Acetylornithine_2 | 3510000.00 | 3876666.67 | |
| N-Amidino-L-glutamate_1 | 78512.50 | 119444.44 | |
| N-Amidino-L-glutamate_2 | 797625.00 | 862111.11 | |
| N-Carbamoylputrescine_1 | 2427500.00 | 2912222.22 | |
| N-Carbamoylputrescine_2 | 1970000.00 | 2407777.78 | |
| N-Cyclohexylformamide | 418750.00 | 29944.44 | |
| N-Cyclopropylammeline | 347250.00 | 451555.56 | |
| N-Dimethyl-2-aminoethylphosphonate_1 | 93412.50 | 92800.00 | |
| N-Dimethyl-2-aminoethylphosphonate_2 | 340000.00 | 51988.89 | |
| N-Ethylglycocyamine | 90262500.00 | 103688888.89 | |
| N-Formimino-L-glutamate | 254612.50 | 195111.11 | |
| N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine | 343125.00 | 766777.78 | |
| N-Hydroxy-L-valine | 375625.00 | 392222.22 | |
| Nicotianamine | 2904500.00 | 5590000.00 | |
| Nicotinamide | 33337500.00 | 21722222.22 | |
| Nicotinate | 919125.00 | 714000.00 | |
| Nitrilacarb | 2747500.00 | 16028888.89 | |
| N-linoleoyl taurine | 136375.00 | 310111.11 | |
| N-Methylhistamine | 1608875.00 | 515822.22 | |
| N-Methylpelletierine | 474750.00 | 870333.33 | |
| N-Monomethyl-2-aminoethylphosphonate | 96866.67 | 271622.22 | |
| N,N^-Diethylthiourea | 3888750.00 | 3948888.89 | |
| N,N^-Diphenyl-p-phenylenediamine | 96450.00 | 81766.67 | |
| N-oleoyl glutamic acid_1 | - | 791333.33 | |
| N-oleoyl glutamic acid_2 | - | 107000.00 | |
| Nona-2,6-dienal_1 | 66837.50 | 207722.22 | |
| Nona-2,6-dienal_2 | 31437.50 | 115766.67 | |
| Nona-2,6-dienal_3 | 13256.25 | 37900.00 | |
| Nordazepam | 20856.67 | 29611.43 | |
| N-palmitoyl serine | 63687.50 | 535922.22 | |
| N(pi)-Methyl-L-histidine | 4918750.00 | 6447777.78 | |
| N-stearoyl serine | 151400.00 | 646111.11 | |
| N-stearoyl tyrosine | 109957.14 | 558344.44 | |
| Oblongolide_1 | 50312.50 | 83111.11 | |
| Oblongolide_2 | 41905.00 | 526022.22 | |
| Oblongolide_3 | - | 86000.00 | |
| O-Butanoylcarnitine | 25750000.00 | 15233333.33 | |
| Octanoic acid | 786250.00 | 628511.11 | |
| Octylamine | 4760000.00 | 5348888.89 | |
| O-Decanoyl-L-carnitine | 134150.00 | 397344.44 | |
| O-hexanoyl-R-carnitine | 1647000.00 | 1096111.11 | |
| O-Methylptelefolonium | 255125.00 | 330555.56 | |
| O-Propanoylcarnitine | 27912500.00 | 19300000.00 | |
| Otonecine_1 | 449150.00 | 593777.78 | |
| Otonecine_2 | 66825.00 | 97611.11 | |
| Otonecine_3 | 188950.00 | 413966.67 | |
| Otonecine_4 | 67787.50 | 87833.33 | |
| Otonecine_5 | 150262.50 | 276111.11 | |
| PA(15:1(9Z)/0:0) | 37475.00 | 73544.44 | |
| PA(17:2(9Z,12Z)/0:0) | 651512.50 | 311111.11 | |
| Paederoside | 127187.50 | 474111.11 | |
| Pantetheine | 791375.00 | 922333.33 | |
| Pantothenate | 3273750.00 | 2170444.44 | |
| p-Benzoquinone_1 | 72025.00 | 79944.44 | |
| p-Benzoquinone_2 | 365000.00 | 506666.67 | |
| PC(13:0/0:0) | 1490125.00 | 3016444.44 | |
| PC(15:0/0:0)_1 | 1055000.00 | 3426666.67 | |
| PC(15:0/0:0)_2 | 440750.00 | 648333.33 | |
| PC(15:1(9Z)/0:0) | 1124625.00 | 2027222.22 | |
| PC(16:0/0:0) | 49162500.00 | 116666666.67 | |
| PC(16:1(9E)/0:0) | 1032375.00 | 4204444.44 | |
| PC(18:0/0:0) | 26426250.00 | 53588888.89 | |
| PC(18:2(2E,4E)/0:0) | 57000000.00 | 138911111.11 | |
| PC(18:3(9Z,12Z,15Z)/0:0)_1 | 649125.00 | 3220444.44 | |
| PC(18:3(9Z,12Z,15Z)/0:0)_2 | - | 148000.00 | |
| PC(20:3(8Z,11Z,14Z)/0:0) | 2522000.00 | 8788888.89 | |
| PC(20:4(5Z,8Z,11Z,14Z)/0:0) | 17433750.00 | 63233333.33 | |
| PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) | 498000.00 | 2308555.56 | |
| PC(22:4(7Z,10Z,13Z,16Z)/0:0) | 153662.50 | 451444.44 | |
| PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 10900000.00 | 41022222.22 | |
| PC(O-1:0/16:0) | 1104625.00 | 1872222.22 | |
| PC(O-16:0/3:0) | 239462.50 | 570222.22 | |
| PC(O-16:1(11Z)/2:0) | 11885000.00 | 32877777.78 | |
| PC(O-18:1(10E)/2:0) | 272350.00 | 717333.33 | |
| PC(O-18:2(9Z,12Z)/2:0) | 412375.00 | 1092666.67 | |
| PE(18:2(9Z,12Z)/0:0) | 4836875.00 | 8056666.67 | |
| PE(20:3(8Z,11Z,14Z)/0:0) | 313825.00 | 505444.44 | |
| PE(22:4(7Z,10Z,13Z,16Z)/0:0) | 145337.50 | 424788.89 | |
| PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 5507000.00 | 7996666.67 | |
| Peganine_1 | 276500.00 | 211555.56 | |
| Peganine_2 | 138612.50 | 236366.67 | |
| Pentachloroethane | 723500.00 | 762777.78 | |
| Pentadecanoyl-EA_1 | - | 889666.67 | |
| Pentadecanoyl-EA_2 | - | 114500.00 | |
| PGH2-EA_1 | - | 485666.67 | |
| PGH2-EA_2 | - | 69100.00 | |
| Phenacetin | 540875.00 | 134422.22 | |
| Phendimetrazine_1 | 535125.00 | 660888.89 | |
| Phendimetrazine_2 | 598375.00 | 621000.00 | |
| Phenmetrazine | 447500.00 | 458888.89 | |
| Phensuximide_1 | 6677500.00 | 3464444.44 | |
| Phensuximide_2 | 54462.50 | 37511.11 | |
| Phensuximide_3 | 573250.00 | 635666.67 | |
| Phenylethyl alcohol_1 | 196375.00 | 124422.22 | |
| Phenylethyl alcohol_2 | 572000.00 | 580777.78 | |
| Phosphodimethylethanolamine | 78412.50 | 76400.00 | |
| Phthalate | 72187.50 | 170444.44 | |
| Phytuberin | 1261250.00 | 1191111.11 | |
| Pimelate | 122000.00 | 561100.00 | |
| Pirbuterol | 835625.00 | 733222.22 | |
| Precocene II | 559125.00 | 466444.44 | |
| Pregnenolone acetate_1 | 74475.00 | 93344.44 | |
| Pregnenolone acetate_2 | 68887.50 | 717355.56 | |
| Prinomide | 526625.00 | 171077.78 | |
| Proclavaminic acid | 68737.50 | 765222.22 | |
| Promegestone_1 | 354375.00 | 380422.22 | |
| Promegestone_2 | 22128.57 | 135166.67 | |
| Prostaglandin H2_1 | 61300.00 | 122355.56 | |
| Prostaglandin H2_2 | 31585.71 | 341140.00 | |
| Pseudopelletierine | 512125.00 | 755000.00 | |
| PS(O-18:0/0:0)_1 | 151812.50 | 400444.44 | |
| PS(O-18:0/0:0)_2 | 75262.50 | 128262.50 | |
| Pulcherriminic acid | 4086250.00 | 7351111.11 | |
| Pyridoxal_1 | 139875.00 | 144777.78 | |
| Pyridoxal_2 | 92900.00 | 98677.78 | |
| Pyridoxal_3 | 1214375.00 | 816666.67 | |
| Pyridoxamine | 206375.00 | 202555.56 | |
| Quassin | - | 82000.00 | |
| Quinoxaline-2-carboxylic acid | 4913000.00 | 4053444.44 | |
| (R)-3-((R)-3-Hydroxybutanoyloxy)butanoate | 30525000.00 | 34966666.67 | |
| Rehmaionoside C | 20300.00 | 230922.22 | |
| Retinal | - | 118000.00 | |
| Retinoate_1 | 174287.50 | 352233.33 | |
| Retinoate_2 | 53342.86 | 217200.00 | |
| Riboflavin | 189750.00 | 339955.56 | |
| (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1 | 469625.00 | 396222.22 | |
| (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2 | 879875.00 | 1246111.11 | |
| (S)-2-Hydroxypropylphosphonate | 362625.00 | 353333.33 | |
| Saccharin sodium anhydrous | 359500.00 | 311666.67 | |
| S-Acetylthioethanolamine | 343250.00 | 343333.33 | |
| S-Allyl-L-cysteine | 9812500.00 | 13350000.00 | |
| Sannamycin A_1 | - | 1040000.00 | |
| Sannamycin A_2 | - | 68900.00 | |
| sarmentogenin | - | 356000.00 | |
| (S)-ATPA_1 | 25357.14 | 222566.67 | |
| (S)-ATPA_2 | 756250.00 | 684000.00 | |
| Schizandrin C | 70025.00 | 312700.00 | |
| Serotonin | 794875.00 | 3196777.78 | |
| (S)-Malate | 95187.50 | 163000.00 | |
| Sodium chlorate | 2858750.00 | 2606666.67 | |
| Spermidine | 10800000.00 | 4358888.89 | |
| Spermine | 428050.00 | 119544.44 | |
| Sphinganine | 466000.00 | 683222.22 | |
| Sphingosine_1 | 833625.00 | 5502444.44 | |
| Sphingosine 1-phosphate | 162462.50 | 246625.00 | |
| Sphingosine_2 | 55937.50 | 115555.56 | |
| SR95531 | 1911250.00 | 2183333.33 | |
| Stearoylcarnitine_1 | 75175.00 | 184744.44 | |
| Stearoylcarnitine_2 | 104675.00 | 430888.89 | |
| Streptobiosamine | 239875.00 | 415277.78 | |
| Succinate_1 | 206250.00 | 269666.67 | |
| Succinate_2 | 582000.00 | 330666.67 | |
| Succinic anhydride_1 | 154250.00 | 155888.89 | |
| Succinic anhydride_2 | 8225000.00 | 4376666.67 | |
| Sulcatone | 3020000.00 | 2515222.22 | |
| Sulfoglycolithocholic acid | 653666.67 | 5184712.50 | |
| Taurine_1 | 4452500.00 | 4358888.89 | |
| Taurine_2 | 61400.00 | 597285.71 | |
| Taurocholate_1 | 1000162.50 | 13863900.00 | |
| Taurocholate_2 | 1963400.00 | 33127037.50 | |
| Taurodeoxycholate_1 | 124533.33 | 7051862.50 | |
| Taurodeoxycholate_2 | 22534.00 | 852914.29 | |
| Taxa-4(20),11(12)-dien-5alpha-yl acetate_1 | 128387.50 | 595000.00 | |
| Taxa-4(20),11(12)-dien-5alpha-yl acetate_2 | 94562.50 | 420388.89 | |
| Taxa-4(20),11(12)-dien-5alpha-yl acetate_3 | 69237.50 | 72655.56 | |
| Terbufos | 679375.00 | 814444.44 | |
| Tetrahydropteridine | 5926250.00 | 4935555.56 | |
| Tetralin_1 | 1008875.00 | 1149666.67 | |
| Tetralin_2 | 686500.00 | 723555.56 | |
| Thiomorpholine 3-carboxylate | 2836250.00 | 1848888.89 | |
| THTA | 43075.00 | 71411.11 | |
| THTC | 3040000.00 | 6488888.89 | |
| Thymine_1 | 245625.00 | 112133.33 | |
| Thymine_2 | 4092500.00 | 3966666.67 | |
| Timolol | 273500.00 | 645122.22 | |
| Tolmetin | 4700000.00 | 4758888.89 | |
| Tolmetin sodium | 35512500.00 | 32433333.33 | |
| Tolylacetonitrile | 1166875.00 | 1321777.78 | |
| Toxyl angelate_1 | 167900.00 | 411111.11 | |
| Toxyl angelate_2 | 112371.43 | 376000.00 | |
| trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthrace... | 501125.00 | 546222.22 | |
| trans-Cinnamate_1 | 179125.00 | 211000.00 | |
| trans-Cinnamate_2 | 136625.00 | 153555.56 | |
| Tridecanamide | 979000.00 | 888555.56 | |
| Tris(butoxyethyl)phosphate | 1865857.14 | 1078750.00 | |
| Trp-P-1_1 | 877875.00 | 1733022.22 | |
| Trp-P-1_R2 | 1501250.00 | 1597777.78 | |
| Tyramine_R1 | 259287.50 | 115688.89 | |
| Tyramine_R2 | 1757500.00 | 2193333.33 | |
| Uracil_R1 | 852125.00 | 778666.67 | |
| Uracil_R2 | 11177500.00 | 2632222.22 | |
| Uracil_R3 | 4178750.00 | 4181111.11 | |
| Urate | 24323750.00 | 15160000.00 | |
| Uridine_R1 | 1110875.00 | 1135777.78 | |
| Uridine_R2 | 1345000.00 | 572444.44 | |
| Urocanate_R1 | 1038875.00 | 757777.78 | |
| Urocanate_R2 | 439125.00 | 603222.22 | |
| Urocanate_R3 | 9718125.00 | 37775555.56 | |
| Urocanate_R4 | 447625.00 | 1479000.00 | |
| Virol B | 49000.00 | 342083.33 | |
| Vomitoxin | 90471.43 | 333957.14 | |
| Wyerone | 24385.71 | 148300.00 | |
| Xanomeline | 404250.00 | 541888.89 | |
| Xestoaminol C_R1 | 318625.00 | 768888.89 | |
| Xestoaminol C_R2 | 205125.00 | 192666.67 | |
| Xylobiose | 205737.50 | 592950.00 | |
| Zearalenone | 129614.29 | 576714.29 | |
| Zeatin | 5021250.00 | 6023333.33 | |
| Zingerone | 5550000.00 | 5247777.78 | |
| Zinnimidine_R1 | 123812.50 | 122711.11 | |
| Zinnimidine_R2 | 102112.50 | 81822.22 |
Factors:
| F1 | Strain:B6.Sle1.Sle2.Sle3 (TC) | Treatment:lupus prone |
| F2 | Strain:C57BL/6J | Treatment:control |
