Data for ST003700
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|---|
| 1,1-Dimethyl-4-phenylpiperazinium | 99484.00 | 143151.67 | 4649841.00 | 214759.67 | 615500.40 | 524766.00 | |
| 1,2-dihydroxyheptadec-16-yn-4-yl acetate | 734707.67 | - | 498790.33 | 114497.20 | 433529.67 | 374948.00 | |
| 1-(2-hydroxy-3-methyl)-butyl-hydrocotarnine | 21336.00 | - | 49076.25 | 75676.75 | 15920.50 | 134972.00 | |
| 1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methy... | 629181.00 | 273796.40 | 387846.00 | 577721.20 | 508707.20 | 435025.80 | |
| 14-deoxy-11,12-dihydroandrographolide | 62107.50 | 36688.00 | 123436.00 | - | 219410.50 | - | |
| 1-Aminocyclopropane-1-carboxylic acid | 30782554.40 | 12273983.80 | 19495565.60 | 24962516.80 | 22096673.20 | 21189363.60 | |
| 1-Benzylimidazole | 101082.00 | 92542.50 | 200941.00 | 121886.60 | 253549.20 | 377603.80 | |
| 1-Isothiocyanato-7-(methylsulfinyl)-heptane | 1196932.20 | 217685.00 | 954578.00 | 749848.40 | 698827.40 | 430451.00 | |
| 1-Isothiocyanato-7-(methylsulfinyl)-heptane_2 | 407370.00 | 61400.50 | 127520.80 | 331666.00 | 488576.60 | 633229.25 | |
| 1-Isothiocyanato-7-(methylsulfinyl)-heptane_3 | 669374.40 | 127971.50 | 1023869.80 | 66144.75 | 211734.80 | 422316.20 | |
| 1-Isothiocyanato-7-(methylsulfinyl)-heptane_4 | 80086.00 | - | 38367.25 | - | - | 116420.33 | |
| 1-Methylhistamine | 10536966.60 | 89427024.40 | 16964411.00 | 9911315.00 | 15127045.60 | 22192667.00 | |
| 1-Methylhistamine_2 | 556849.40 | 295926.60 | 673736.60 | 612526.20 | 329261.40 | 2653943.80 | |
| ((1S,9aR)-octahydro-1H-quinolizin-1-yl)methanamine | 1464985.80 | 736535.00 | 2443204.80 | 1900764.40 | 513364.60 | 2440789.80 | |
| 2-(1-hydroxy-1-methoxy-3-methylbutyl)-6-methyl-5H-[1,3]dioxo... | 192194.00 | 43322.00 | 90696.00 | 191096.40 | 186979.60 | 127346.00 | |
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4... | 294272.00 | 79856.00 | - | - | 225261.75 | - | |
| 2,6-Dimethoxyquinone | 5351842.20 | 592506.40 | 3257392.40 | 3794219.80 | 2476813.60 | 4242353.60 | |
| 2,6-Dimethoxyquinone_2 | 5840564.00 | 1023008.20 | 4528366.60 | 3590320.60 | 3268092.80 | 4635762.40 | |
| 2,6-Dimethoxyquinone_3 | 15723175.60 | 20404384.80 | 7614618.40 | 18443864.80 | 17310991.00 | 15272694.00 | |
| 2-AMINOPHENOL | 969595.60 | 5193705.80 | 5220752.25 | 2160904.20 | 5650007.40 | 5060821.60 | |
| 2^-Deoxycytidine | 709510.80 | 94775.20 | 214094.00 | 208868.00 | 546535.60 | 197984.00 | |
| (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide | 36096.60 | 28247.60 | 9697.75 | 56190.20 | 136042.80 | 14864.50 | |
| 2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(E)-2-methyl-3-(4-nitrophe... | 302801.00 | 84622.67 | 338510.33 | 577471.50 | 209745.00 | 1196277.50 | |
| 2`-Methylacetanilide | 1374290.60 | 842460.25 | 1738511.80 | 1691334.80 | 3249118.20 | 2007765.60 | |
| 2-Phenylacetamide | 17461919.00 | 11672065.00 | 22070719.00 | 10674926.60 | 16142614.60 | 11477657.00 | |
| (2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro... | 2008783.80 | 10784.00 | 805854.75 | 1177708.00 | 359677.40 | 451043.25 | |
| (2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro... | 2008783.80 | 7690.25 | 271004.25 | 659616.80 | 350558.20 | 317312.50 | |
| (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro... | 737057.75 | 242345.50 | 2243190.33 | 857356.40 | 498824.50 | 349035.50 | |
| (2R,3R)-3,7,4^-Trihydroxy-5-methoxy-8-prenylflavanone | 64656.00 | - | 4083.00 | - | - | - | |
| [(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S... | 83919.50 | 45119.67 | - | 84190.00 | 43421.00 | 121913.00 | |
| (2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro... | 569137.00 | 570010.60 | 293263.60 | 455240.40 | 669345.80 | 508172.00 | |
| [3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]me... | 232045.00 | 152113.00 | - | 73554.50 | 464858.67 | 35739.00 | |
| 3,4-Dihydrocoumarin | 785265.00 | 477019.75 | 3216601.20 | 1005731.40 | 616858.40 | 1241709.20 | |
| 3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic a... | 685619.20 | 182129.67 | 1051496.00 | 395454.40 | 446103.20 | 339106.60 | |
| 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic ac... | 2181803.20 | 108590.00 | 848111.75 | 1919983.40 | 371291.40 | 814838.00 | |
| 3-Acetylindole | 5295949.20 | 103568.50 | 6147142.33 | 142365.67 | 526783.33 | 1584132.20 | |
| 3a-hydroxy-3,5a,9-trimethyl-3,4,5,6,7,9b-hexahydrobenzo[g][1... | 463003.50 | 352858.50 | 936144.00 | 418841.80 | 369460.00 | 604177.00 | |
| (3aR,3a1S,5S,5aS,10bS)-methyl 6-acetyl-3a-ethyl-2,3,3a,3a1,4... | 95463.00 | - | - | 31059.00 | 81321.00 | 67525.00 | |
| (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,... | 515176.00 | - | - | - | - | 10093.00 | |
| 3-hydroxy-1,2-dimethylpyridin-4(1H)-one | 2176767.00 | 451420.75 | 1712644.75 | 1139807.80 | 2347841.80 | 3969105.40 | |
| 3-Hydroxypyridine | 224008.80 | 17884.75 | 18062.50 | 144303.20 | 64078.00 | 208231.60 | |
| 3-Methylhistidine | 88720.25 | 926280.60 | 850356.50 | 439112.40 | 95225.50 | 1469263.50 | |
| 3-Methylhistidine_2 | 22781.33 | 249231.00 | 114836.40 | 218980.25 | 1062672.60 | 264915.00 | |
| 3-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-h... | 153161.00 | 4561.00 | - | 16067.00 | 165822.33 | 19622.00 | |
| (3S,3^R)-3^-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiaz... | 2059632.80 | 203581.60 | 1080398.33 | 576909.40 | 157670.50 | 2266260.20 | |
| 3-Ureidopropionic acid | 2035966.40 | 1090912.40 | 1662067.20 | 2129007.60 | 2040985.80 | 2175895.40 | |
| 4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxyli... | 427360.75 | 1912048.25 | 492809.80 | 794850.60 | 1018278.20 | 1086507.00 | |
| 4-(5-(3-(2-fluorophenyl)-4,8-dioxo-4,8,9,10-tetrahydropyrano... | 110805.67 | 67492.33 | 92788.00 | 175772.00 | 153596.25 | 148683.67 | |
| 4,7-Phenanthroline | 7930579.00 | 6112162.40 | 9044147.00 | 6703146.40 | 7641337.80 | 7501677.00 | |
| 4-aminovaleric acid betaine | 4169298.60 | 9781020.80 | 5600883.00 | 5194910.80 | 8910501.00 | 13336779.40 | |
| 4-aminovaleric acid betaine_2 | 1432705.40 | 3972674.60 | 822558.40 | 2064890.60 | 3524074.80 | 4107076.60 | |
| 4-(Dimethylamino)pyridine | 5644836.60 | 5700058.40 | 11023084.80 | 9881283.40 | 7375409.20 | 13751400.80 | |
| 4-Guanidinobutyric acid | 178117.60 | 104805.40 | 221401.40 | 209702.80 | 229782.20 | 367427.20 | |
| 4H-chromen-4-one | 1717690.80 | 1691498.40 | 2505144.80 | 1896658.00 | 2888462.20 | 2431385.20 | |
| 4-hydroxy-4-(pyridin-2-yl)butan-2-one | 6123977.80 | 25552430.00 | 12547077.00 | 9310513.80 | 6655078.20 | 19417725.40 | |
| 4-Hydroxy-6-methyl-2-pyrone | 108857.60 | 62330.25 | 64712.40 | 25214.00 | 214043.00 | 123407.20 | |
| 4-Hydroxy-6-methyl-2-pyrone_2 | - | - | - | - | - | - | |
| 4-Hydroxy-6-Methylpyran-2-One | 3530693.40 | 2732029.20 | 1641000.80 | 2855057.00 | 3443410.80 | 3023838.80 | |
| 4-Methylethcathinone | 643973.40 | 480295.00 | 951905.20 | 569274.40 | 867924.60 | 842865.20 | |
| 4-oxo-4-(3-oxodecan-2-ylamino)butanoic acid | 93769.00 | - | 85992.00 | 57778.50 | 74318.00 | 2918537.00 | |
| 5,6-Dihydro-5-methyluracil | 641729.20 | 857236.60 | 417442.80 | 879807.20 | 1140842.20 | 1505636.60 | |
| 5-hydroxy-2-(4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trih... | 477694.00 | 477560.50 | 445037.00 | 418692.60 | 585020.00 | 451093.60 | |
| 5-Methylcytosine | 58048.80 | - | 839298.60 | 25549.80 | 120859.00 | 14253.60 | |
| 5^-Methylthioadenosine | 3603761.60 | 878642.75 | 1138177.40 | 2359347.20 | 952198.20 | 1881830.50 | |
| 5-O-Methylgenistein | 6446249.20 | 22451390.80 | 7154379.00 | 11341062.00 | 12676824.80 | 13094538.80 | |
| 6,4^-Dihydroxyflavone | 1220695.20 | 646015.80 | 1255111.00 | 1410793.80 | 1299446.20 | 1070377.80 | |
| 7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)... | 237274.00 | 34225.67 | 620104.00 | 230899.75 | 349905.50 | 222052.75 | |
| 7,8-dimethoxy-benzo[d][1,2]oxazin-1-one | 925949.40 | 732218.00 | 3781657.00 | 1098453.20 | 3817965.00 | 2017713.50 | |
| 7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one | 22798742.20 | 21373415.40 | 10874534.00 | 22105744.60 | 32778829.40 | 19648331.60 | |
| 7-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one_2 | 22791923.80 | 22594485.40 | 10732078.40 | 21980481.40 | 32939903.80 | 19495900.20 | |
| 9-methoxy-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxy... | 714419.60 | 475586.00 | 858275.20 | 720973.20 | 626275.60 | 395075.60 | |
| Acetylcarnitine | 492538.40 | 491566.80 | 436372.60 | 455046.60 | 812489.80 | 390286.80 | |
| Acetylcitrulline | 24145.80 | 985443.60 | 207854.25 | 268079.80 | 170638.00 | 467740.75 | |
| Aconine | 30620.50 | 81028.33 | 29926.00 | 68531.60 | 126829.60 | 124396.00 | |
| Aconitic Acid | 789488.40 | 33832.00 | 296623.60 | 411175.40 | 112231.25 | 474350.00 | |
| ADRENALINE BITARTRATE | 61857.00 | 110248.50 | 44832.75 | 76206.80 | 70949.20 | 90688.00 | |
| Alanine | 8417311.20 | 7890114.80 | 9823675.00 | 9008956.60 | 8216887.20 | 8458690.80 | |
| Allantoin | 1471026.20 | 514850.00 | 2446652.40 | 1042573.00 | 548080.80 | 848463.00 | |
| alpha-Methylene-gamma-butyrolactone | 1820997.60 | 1918644.60 | 898120.00 | 2065301.40 | 1983480.60 | 1699362.60 | |
| Anabasine Hydrochloride | - | - | 3185715.67 | 905.00 | 4818.50 | - | |
| Angelicin | 368502.40 | 471982.00 | 671060.67 | 559268.80 | 756499.00 | 515259.20 | |
| Aniline | 565528.00 | 10840.00 | 64767.00 | 92591.80 | 42126.00 | 507397.00 | |
| Apotoxicarol | 846590.80 | 465866.50 | 193325.67 | 560994.20 | 377720.20 | 1134369.33 | |
| arborinine | - | - | - | - | - | - | |
| beta-D-Fructose 1,6-bisphosphate | 964301.80 | 844910.25 | 903175.00 | 715072.80 | 1153053.75 | 450997.25 | |
| Bracteatin | 1377830.60 | 528182.40 | 1217410.40 | 973396.80 | 743074.60 | 588658.20 | |
| Butanoic acid | 3560282.60 | 2529944.40 | 2938841.60 | 1310136.80 | 3863240.40 | 4411872.80 | |
| Butylamine | 483914232.00 | 133174110.40 | 141320217.60 | 146389857.60 | 503811932.80 | 420056638.40 | |
| C11H20N2O5S2 | 5584333.40 | 583848.50 | 2218383.00 | 3820373.00 | 2151475.60 | 1879604.20 | |
| C15H22N2O7S | 97545.00 | - | - | 139859.75 | 37260.00 | - | |
| Cafestol | 1155162.40 | 823639.00 | 3019767.20 | 1114831.00 | 1667211.60 | 1460506.60 | |
| Caffeic Acid | 37373.00 | 39285.67 | 42267.00 | 34364.00 | 2292.00 | 23699.00 | |
| Caffeoylcholine | 270789.00 | - | 46469.00 | 62612.00 | 1116807.50 | 138703.00 | |
| Carbocysteine | 1763910.00 | 6098104.20 | 1340417.25 | 3179846.40 | 3841825.80 | 3645507.00 | |
| Cephalexin - Dark Web Drugs | 7328916.60 | 4032765.60 | 5989384.80 | 6794724.00 | 6383187.80 | 5951339.60 | |
| Choline | 5973578.20 | 5602205.20 | 9600754.00 | 6196999.40 | 6587950.00 | 6171991.40 | |
| Chrysanthemic Acid | 297538.60 | 410134.00 | 840238.00 | 430475.00 | 669451.00 | 522350.80 | |
| Chrysin | 5404813.00 | 98149.50 | 869745.33 | 335994.80 | 6226.00 | 190289.00 | |
| Chrysin_2 | 5071663.40 | 1749446.50 | 2447264.67 | 1172700.00 | 414497.00 | 128458.00 | |
| Chrysin_3 | 12274471.00 | 661043.50 | 6725539.33 | 1194226.40 | 320611.00 | 387446.50 | |
| COTININE | 1137291.20 | 1816312.80 | 5222380.40 | 4821481.60 | 2320903.40 | 1990629.80 | |
| Coumaroyl putrescin | - | - | 5715617.25 | - | - | - | |
| Coumaroyl putrescin_2 | - | - | 2121356.25 | - | - | 608.00 | |
| Creatinine | 89961343.20 | 131935079.20 | 89147017.60 | 105921588.00 | 111902051.20 | 120467132.80 | |
| Creatinine_2 | 14393343.60 | 19643456.00 | 12792406.60 | 15158924.20 | 14639232.20 | 13395367.00 | |
| Creatinine_3 | 11780771.60 | 19644909.20 | 12792323.80 | 15159209.80 | 14638576.00 | 13395685.40 | |
| curvularin | 491841.40 | 372214.75 | 113801.75 | 406128.40 | 196032.67 | 599992.25 | |
| cyclopeptine | 1335406.60 | 624098.00 | 1411403.60 | 1104884.20 | 1718408.80 | 782125.40 | |
| CYCLOSERINE | 1518780.40 | - | 94892.50 | 323975.00 | - | 381834.00 | |
| Cytochalasin B - CASMI2016 Category 1 - Challenge 3 | 436659.80 | 529160.20 | 565292.80 | 221398.20 | 774212.60 | 658942.20 | |
| Cytosine | 1206843.40 | 380624.80 | 1578647.00 | 2431304.00 | 3131584.40 | 3226589.60 | |
| Desethyl atrazine | 10340111.60 | 7300786.60 | 20124193.60 | 10796012.20 | 5622450.40 | 23358221.00 | |
| D-(+)-Glucosamine | 1154695.80 | 1756213.00 | 3887955.60 | 940142.20 | 4815489.40 | 2828847.40 | |
| D-(+)-Glucosamine_2 | 21235540.00 | 65720.25 | 21745.67 | 285747.00 | 43706.67 | 3291721.00 | |
| D-(+)-Glucosamine hydrochloride | 635790.60 | 571243.00 | 547997.80 | 338921.40 | 1325058.60 | 2286862.00 | |
| Difucol Hexamethyl Ether | 4117063.00 | 2249703.60 | 8052551.00 | 2972345.60 | 4586221.20 | 4105229.00 | |
| Dihydrozeatin | 80516.60 | 639402.20 | 311714.00 | 208547.60 | 338710.80 | 863964.20 | |
| Diphenylsulfoxide | 13666473.40 | 14987188.40 | 16362534.20 | 15678492.00 | 43371122.40 | 19865386.20 | |
| Djenkolic Acid | 96049.25 | 55843.00 | 822514.50 | 173540.00 | 104522.50 | 140274.50 | |
| DL-Glyceraldehyde 3-phosphate | 11041069.60 | 9491817.80 | 5223621.80 | 8904819.80 | 9629554.40 | 7289470.80 | |
| D-(-)-quinic acid | 14552584.80 | 19061347.60 | 10213227.00 | 15631039.40 | 12228657.00 | 15763471.40 | |
| Ecgonine | 2147250.20 | 60898.00 | 1032490.60 | 1195760.00 | 466684.00 | 562204.20 | |
| Eremantholide A | 699058.60 | 317584.00 | 418804.80 | 924567.60 | 1011747.00 | 652409.20 | |
| esculetin | 74316.50 | 467504.00 | 107626.50 | 125370.00 | 252011.50 | 100574.60 | |
| Fenuron | 390682.50 | 415156.67 | 1091167.20 | 357816.40 | 757385.00 | 385634.00 | |
| flavone | 1972478.60 | 208659.50 | 418978.20 | 1303211.40 | 483568.40 | 393775.00 | |
| Fluconazole | 13188363.00 | 26102157.60 | 13921391.00 | 18287732.40 | 19972563.00 | 21469588.80 | |
| Flurbiprofen (Ansaid) | 13153120.60 | 5524732.80 | 17115251.60 | 13809870.60 | 10699333.60 | 18925975.20 | |
| Galactose | 858190.00 | 1541042.40 | 1791650.80 | 244709.60 | 4808874.00 | 1902156.40 | |
| gamma-Glutamylglutamine | 1546393.20 | 870952.40 | 1261204.60 | 1112106.20 | 1796336.60 | 1371663.20 | |
| gelsemine | 66843.00 | 6051.00 | 878624.00 | 521.00 | - | 282754.00 | |
| ?-Gentiobiose | 423068.40 | 401916.75 | 102311.00 | 414428.80 | 623638.60 | 266040.60 | |
| gibberellic acid | 1414142.60 | 848702.40 | 1022946.00 | 1409895.40 | 1151364.40 | 1200203.00 | |
| Gliquidone | - | 512447.00 | 277111.00 | 252424.00 | - | 449307.00 | |
| Glucose-1-phosphate | 13447808.80 | 14807403.40 | 9477163.20 | 15713729.40 | 17800830.80 | 12212921.80 | |
| Glutamylglycine | 339331.20 | 63208.00 | 419960.20 | 198477.40 | 321426.20 | 969016.00 | |
| Glu-Thr | 860431.60 | 152353.60 | 918799.60 | 459912.40 | 486508.40 | 934455.60 | |
| Glycine | 11572647.60 | 6443169.60 | 10628685.20 | 11037275.80 | 10122457.00 | 10511321.40 | |
| Glycylleucine | 1141671.20 | 1283373.40 | 872376.80 | 981755.20 | 3448005.00 | 1621253.40 | |
| Gly-Gly-Gly | 339712.60 | 252097.40 | 344454.40 | 393210.00 | 327465.40 | 622636.60 | |
| Gramine | 2738005.20 | 2248752.40 | 3266791.20 | 2261274.00 | 2711783.40 | 2589278.80 | |
| Guanidinoacetic acid | 6285154.60 | 2276051.00 | 4028696.40 | 5170141.00 | 3902151.80 | 4822449.40 | |
| Haematommic Acid, Ethyl Ester | 5011293.40 | 2014628.40 | 2328007.20 | 5573155.60 | 4392558.20 | 3942628.20 | |
| Helenine | 362938.20 | 211977.75 | 315191.50 | 396612.00 | 429459.20 | 426941.50 | |
| Hexamethylene??bisacetamide | 114825.40 | 258663.67 | 233809.75 | 2481455.00 | 2951317.00 | 1220435.00 | |
| HUMULENE (alpha) | 22836.67 | 135503.00 | 236808.50 | 28157.00 | 148947.50 | 146068.50 | |
| hydroquinidine | 2265525.00 | 2587500.00 | 4824413.00 | 3058829.20 | 4973044.20 | 1629901.20 | |
| Hypotaurine | 2739822.80 | 3657998.40 | 6352191.25 | 11288780.40 | 10013937.40 | 6344481.80 | |
| Hypoxanthine | 70265143.20 | 95205283.20 | 64875991.00 | 97244971.20 | 107091137.60 | 96890383.20 | |
| Icariside I | 2066076.20 | 231092.25 | 1710318.80 | 1669485.60 | 988374.80 | 1474768.00 | |
| ilicic acid | 28566.00 | 104032.50 | 279088.50 | 17675.67 | 64258.25 | 78501.33 | |
| INDOLE | 3093842.80 | 3283036.80 | 3620556.20 | 1747518.40 | 2487611.00 | 3318810.00 | |
| isofraxidin | 17184.00 | 21377.00 | 119545.25 | 26081.00 | 416768.80 | 107972.75 | |
| Isoleucylglutamate | 472936.80 | 215889.20 | 1346368.60 | 344732.20 | 321855.20 | 549507.60 | |
| Isoleucylvaline | 1968883.40 | 1652645.40 | 1493523.20 | 2031780.00 | 4163338.00 | 1695244.80 | |
| Koumine | 24841.00 | - | 144433.75 | 12577.00 | 41858.67 | 60520.50 | |
| Lancerin | 1498143.60 | 561808.60 | 1336656.80 | 1282255.40 | 900465.80 | 880772.00 | |
| L-(+)-Arginine | 6871165.60 | 5179716.80 | 8592136.80 | 5881824.40 | 7044090.00 | 5478553.00 | |
| L-beta-Homolysine | 3996802.00 | 1740954.20 | 2660242.60 | 3025510.80 | 4434405.40 | 3419176.20 | |
| L-beta-Homolysine_2 | 2326028.20 | 461299.40 | 605284.60 | 1877960.60 | 2228690.20 | 808996.00 | |
| L-beta-Homolysine_3 | 8931154.20 | 7049749.20 | 7436994.20 | 6459000.20 | 4230516.40 | 7682956.80 | |
| L-Carnitine | 31250.50 | - | 1028910.33 | 3016.33 | 48704.00 | 51740.00 | |
| LID_265.1546_9.2 | 64840.00 | 438068.00 | 746249.33 | 333974.75 | 28366.00 | - | |
| Lobaric Acid | 79344.50 | - | - | - | 68536.00 | - | |
| LPC 18 | 174369.60 | 401519.60 | 676034.80 | 185652.80 | 727780.00 | 433010.40 | |
| L-Threonine | 3650921.80 | 1468452.80 | 4119033.80 | 2643020.60 | 2188798.00 | 2837322.40 | |
| L-Tyrosine | 419493.40 | 584594.75 | 610699.50 | 636255.00 | 3015610.20 | 1033431.00 | |
| Maleamic acid | 2053080.40 | 986088.20 | 1883340.20 | 1736168.60 | 1469773.80 | 1677446.80 | |
| Maltol | 40012006.00 | 51756248.60 | 19457930.80 | 47346302.80 | 45093761.60 | 39811480.80 | |
| Meprobamate | 216767.60 | 156473.00 | 1526224.75 | 416867.80 | 1172977.40 | 281538.00 | |
| Meprobamate_2 | 520797.80 | 194332.00 | 5388130.50 | 381170.00 | 375520.80 | 374303.50 | |
| Meprobamate_3 | 1696466.80 | 937446.00 | 424119.60 | 1206478.60 | 9913838.40 | 3703057.40 | |
| Methamphetamine | 236595.00 | 250337.25 | 419065.75 | 457900.00 | 417345.00 | 389855.80 | |
| Methazolamide | 340940.20 | 95214.50 | 40945.00 | 240701.00 | 102777.33 | 42875.00 | |
| Methylecgonine | 474822.60 | 33869.00 | 48265.00 | 77056.60 | 23453.80 | 232244.25 | |
| Mevalonic Acid Lactone | 6964519.60 | 4935050.00 | 3536976.00 | 1016265.00 | 4607929.80 | 3927551.60 | |
| Mevalonic Acid Lactone_2 | 3725624.60 | 28967399.80 | 3441437.20 | 2622591.60 | 23325062.00 | 3728540.40 | |
| MLS000028635-01!BRETYLIUM TOSYLATE | 54962.00 | 977953.80 | 337333.00 | 552418.50 | 98892.00 | 1000373.00 | |
| MLS000575022-01! | 706087.50 | 369105.00 | 1061406.00 | 376685.00 | 2123266.40 | 1968304.00 | |
| MLS000584128-01! | 1714915.00 | 1467871.40 | 2547784.80 | 1699997.00 | 1896189.80 | 1892798.60 | |
| MLS001030267-01!3-[1-(3-nitrophenyl)sulfonylpiperidin-2-yl]p... | 7309105.60 | 3986039.00 | 5935094.60 | 6744494.60 | 6535143.00 | 5942179.40 | |
| MLS001049031-01!N-(4-bromophenyl)-2,2-diphenylacetamide | 708533.40 | 873690.75 | 126040.50 | 708023.60 | 1216820.80 | 518118.00 | |
| MLS001055349-01!80-08-0 | 1818246.00 | 657903.75 | 952127.20 | 1198625.40 | 880219.20 | 862902.60 | |
| MLS001056774-01!S(?)-Pindolol | 224527.67 | 1001938.00 | 484718.25 | 72347.25 | 854501.40 | 679302.00 | |
| MLS001074893-01!SU 9516 | 913530.80 | 701809.60 | 284568.00 | 747116.20 | 1372073.80 | 790238.80 | |
| MLS001077325-01! | 2111955.00 | - | - | - | - | - | |
| MLS001077357-01!6-ETHOXY-2-BENZOTHIAZOLESULFONAMIDE | 427127.80 | 26365.33 | 154918.50 | 49643.00 | 12256.80 | 255707.60 | |
| MLS001148453-01! | 791850.80 | 260903.20 | 381849.40 | 623349.80 | 896901.80 | 1239459.20 | |
| MLS001201824-01!1-(6-Methoxy-benzothiazol-2-yl)-3-phenyl-ure... | 110313.20 | 95207.80 | 80545.00 | 153436.20 | 297232.60 | 105265.60 | |
| MLS001333179-01!N,N-Diethyl-3-methylbenzamide134-62-3 | 32804.75 | 49379.00 | 52213.67 | 121447.40 | 91685.25 | 163627.50 | |
| MLS001335964-01!Enoximone77671-31-9 | 335589.00 | 308016.00 | 180918.20 | 358416.80 | 383091.60 | 385354.00 | |
| MLS002153855-01!Norcyclobenzaprine303-50-4 | 1263674.40 | 574858.40 | 821175.00 | 701378.80 | 961661.20 | 924448.60 | |
| MLS002153907-01!Cinchonine118-10-5 | 607463.00 | 104104.50 | 690858.50 | 320051.40 | 463202.33 | 280744.67 | |
| MLS002154189-01!Homatropine hydrobromide (R,S)51-56-9 | 5386183.60 | 307879.40 | 4366636.20 | 1965951.60 | 702948.60 | 765743.60 | |
| MLS002154189-01!Homatropine hydrobromide (R,S)51-56-9_2 | 203505.80 | 42840.00 | 111633.20 | 106798.25 | 101270.00 | 197695.00 | |
| MLS002667916-01! | 1713754.60 | 2730476.00 | 4994948.60 | 2006055.60 | 3074844.20 | 2695758.20 | |
| MMV002816 | 2302103.80 | 798477.00 | 1624221.40 | 1344041.20 | 326295.20 | 1645484.20 | |
| MMV676512 | 2440877.40 | 514072.80 | 2524213.00 | 1004894.80 | 434895.60 | 1156536.00 | |
| MMV687762 | 170083.75 | 427866.60 | 114889.00 | 241258.00 | 1154437.25 | 277278.00 | |
| Muramic acid | 725394.20 | 276462.60 | 340698.60 | 423673.40 | 1100374.00 | 626562.20 | |
| Mycosporine serinol | 4859193.60 | 2467805.20 | 1232035.40 | 5133570.20 | 4842723.60 | 2876068.40 | |
| N6-Acetyl-L-lysine | 937812.40 | 687455.20 | 1253483.00 | 1003439.60 | 1653363.60 | 1170154.20 | |
| N8-Acetylspermidine | 13075796.20 | 6209880.20 | 10757148.80 | 34999044.40 | 16631352.40 | 14651598.40 | |
| N-Acetyl-Asp-Glu | 104278.75 | 663204.20 | 391033.80 | 206945.60 | 266350.80 | 475883.00 | |
| N-Acetylglucosamine | 430944.00 | - | 139147.75 | 69588.67 | 208011.50 | 81457.20 | |
| N-Acetylmuramic Acid | 455521.00 | 366461.00 | 201870.25 | 350029.25 | 188050.20 | 1310810.50 | |
| NCGC00160221-01!1,2,3,4-Tetrahydro-6-Methoxy-1-oxo-beta-carb... | 2220943.60 | 1342653.20 | 12389387.60 | 1836370.60 | 2045601.60 | 3568240.20 | |
| NCGC00160263-01!2-(3-Methyl-5-oxo-2,5-dihydro-furan-2-ylmeth... | 5816187.20 | 5864701.00 | 6149277.20 | 4524351.60 | 2507757.20 | 6923679.60 | |
| NCGC00168884-02!2,6-dihydroxyanthracene-9,10-dione | 1589204.40 | 1022413.60 | 1359018.60 | 1507345.00 | 1437854.60 | 1466443.40 | |
| NCGC00347619-02! | 3222594.00 | 4180035.20 | 2718646.60 | 3981768.00 | 3956553.40 | 3835306.00 | |
| NCGC00347769-02![2-hydroxy-1-(4-methoxyphenyl)propyl] 4-meth... | - | - | 1170154.50 | - | 673.00 | - | |
| NCGC00380130-01_C15H26O4_1,2-Naphthalenedimethanol, 1,4,4a,5... | 347747.00 | 79873.80 | 74008.75 | 293294.00 | 418861.80 | 245109.20 | |
| NCGC00380226-01!3-methoxy-4-[2-methoxy-4-(1,2,3-trihydroxypr... | 234831.67 | 622017.00 | 254728.75 | 863442.00 | 211112.50 | 1222646.00 | |
| NCGC00380284-01!N-(5-acetamidopentyl)acetamide | 1805578.80 | 2068764.00 | 4066577.00 | 2028254.00 | 2557508.60 | 2202297.00 | |
| NCGC00380424-01_C10H9NO4_1,5-(Epoxymethano)cyclopenta[c]pyra... | 413920.00 | 232864.67 | 1220732.50 | 603281.40 | 1831456.60 | 1357737.50 | |
| NCGC00380424-01_C10H9NO4_1,5-(Epoxymethano)cyclopenta[c]pyra... | 397008.20 | 565148.00 | 662623.50 | 501646.00 | 318293.00 | 273132.25 | |
| NCGC00380504-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihyd... | 83014.00 | - | - | 30713.00 | - | - | |
| NCGC00381167-01!(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enam... | 81535120.80 | 37033297.80 | 35094804.60 | 76618984.80 | 99065955.20 | 66866788.00 | |
| NCGC00381178-01!3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydro... | 1650792.60 | 2773059.60 | 1560638.80 | 1705920.60 | 1819064.00 | 1888071.40 | |
| NCGC00381248-01!4-oxododecanedioic acid | 8412282.40 | 5030994.80 | 6349009.20 | 9745569.00 | 11753330.40 | 7059878.60 | |
| NCGC00384935-01!2,2-dimethyl-1,3-dihydroquinazolin-4-one | 3145855.80 | 19642.00 | 1389510.25 | 65726.00 | 53731.00 | 1071604.80 | |
| NCGC00385222-01_C19H26O13_beta-D-Fructofuranosyl 6-O-(4-hydr... | 426225.00 | 24217.00 | 59303.00 | 222724.60 | 211686.20 | 86861.80 | |
| NCGC00385231-01_C26H44O8_{(1S,2R,4aS,5R,8aS)-2-Hydroxy-5-[(3... | 1471715.80 | 720766.40 | 1143658.20 | 957516.80 | 954801.40 | 1183100.20 | |
| NCGC00385365-01_C11H16O3_2(4H)-Benzofuranone, 5,6,7,7a-tetra... | 587387.80 | 372375.75 | 744939.20 | 485832.40 | 770294.20 | 691233.20 | |
| N-Cyclohexylformamide | 17301987.00 | 1977965.40 | 14726731.40 | 19281208.00 | 8566823.80 | 5388997.20 | |
| N-Cyclohexylformamide_2 | 33082004.60 | 8298565.20 | 58273693.00 | 52795555.60 | 42897306.80 | 27045864.00 | |
| NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE | 190890.67 | 234571.00 | 21795.50 | 72732.50 | 89946.50 | 159390.00 | |
| N-Fructosyl isoleucine | 71228.60 | 258886.80 | 126053.25 | 108430.60 | 497059.25 | 130419.40 | |
| N-Isovalerylglycine | 734973.80 | 156573.00 | 177632.60 | 382960.00 | 447255.80 | 591928.20 | |
| N-Isovalerylglycine_2 | - | 444153.00 | 1379729.75 | 587332.00 | 2862002.75 | 654096.40 | |
| N-Methylglutamic acid | 664701.60 | 141027.80 | 2524544.40 | 278967.20 | 871468.60 | 436942.00 | |
| N-Methylisoleucine | 123228.40 | 261996.25 | 2284794.20 | 442783.60 | 1012234.80 | 3058148.25 | |
| N-Methylisoleucine_2 | 6918263.00 | 5357973.20 | 7330162.80 | 8411501.60 | 11712517.20 | 5801717.40 | |
| N-Methylisoleucine_3 | 1261311.80 | 137980.80 | 521563.00 | 289498.40 | 618779.40 | 194735.00 | |
| N-Methylthreonine | 72722.00 | 77142.00 | 709909.50 | 68605.00 | 194116.33 | 65720.00 | |
| Nornicotine | 702327.80 | 639777.00 | 1495446.40 | 629614.20 | 1473556.60 | 818906.60 | |
| O-Phosphocolamine | 285629414.40 | 59693708.80 | 104395416.00 | 205649211.20 | 143555299.20 | 143709192.00 | |
| O-Succinylhomoserine | 694633.00 | 1309716.40 | 10312230.80 | 710219.60 | 1238971.80 | 1598032.60 | |
| Ozagrel | 154731.00 | 143562.50 | 176224.60 | 484390.00 | 932160.80 | 568535.60 | |
| Panthenol | 77112.67 | 186326.67 | 970673.50 | - | 175603.00 | - | |
| Pantothenic acid | 150076.20 | 192957.20 | 100676.25 | 260476.20 | 568096.60 | 292127.25 | |
| Patchouli alcohol | 57694381.60 | 20590396.33 | 69633268.40 | 50636456.00 | 73946623.00 | 51610103.40 | |
| Perseitol | 351835.80 | 1272742.80 | 709326.20 | 675056.80 | 1092166.40 | 2567001.75 | |
| Perseitol_2 | 98457.00 | 347239.00 | 214721.80 | 322077.40 | 295150.20 | 555491.00 | |
| Pesticide1_Dimethoate_C5H12NO3PS2_Phosphorodithioic acid, O,... | 9397132.00 | 5845.00 | 84858.00 | 4121780.00 | 317618.50 | 7860245.00 | |
| Pesticide9_Propamocarb_C9H20N2O2_Propyl [3-(dimethylamino)pr... | 634156.00 | 633893.00 | 658225.20 | 648823.40 | 743134.40 | 719656.60 | |
| PHENYLHYDRAZINE | 169098.40 | 106998.80 | 257739.80 | 224354.40 | 432546.60 | 743293.20 | |
| Phloretin | 374735.20 | 1562723.40 | 1887719.33 | 1639610.60 | 1492400.60 | 2850701.20 | |
| Phomalone | 242101.50 | 59256.25 | 111844.00 | 230371.00 | 480855.00 | 276901.25 | |
| Phosphonoacetic acid | 1384604.40 | 2480957.80 | 1414394.60 | 2113047.60 | 1918640.40 | 2209875.60 | |
| Phosphonoacetic acid_2 | 410979.60 | 368483.40 | 593248.80 | 328779.00 | 291805.80 | 1429919.40 | |
| Podofilox | 86971.00 | 617956.00 | 300003.50 | 459289.00 | 46617.00 | 379590.67 | |
| Proline betaine | 6042699.00 | 2936904.80 | 4694011.40 | 1274216.00 | 2318464.20 | 2204637.20 | |
| Pterine | 41556.00 | 110723.00 | 100004.33 | 91374.75 | 167428.60 | 237660.00 | |
| PUTRESCINE DIHYDROCHLORIDE | 1256110.00 | 742593.00 | 1218274.80 | 1208143.80 | 722252.80 | 1057143.60 | |
| Pyridoxal | 3558819.20 | 1601776.00 | 3151156.60 | 5721093.00 | 5825984.60 | 6630551.60 | |
| Pyridoxal_2 | 874857.50 | 101550.00 | 1235053.60 | 460484.67 | 303615.40 | 474285.33 | |
| PYRIDOXINE | 435747.40 | 500836.40 | 720579.80 | 388300.00 | 1119592.00 | 1702570.80 | |
| Quisqualic acid | - | - | - | 7587526.00 | - | 4360.00 | |
| R-3-Amino-5-(methylthio)pentanoic acid | 793642.20 | 559142.50 | 398885.40 | 1021756.60 | 1055558.60 | 4920271.80 | |
| Rutilantinone | 79506.67 | - | 62001.40 | 47780.00 | 36638.00 | 77381.00 | |
| Salicin | 562607.00 | 698977.00 | 381700.25 | 579120.00 | 749973.75 | 441878.00 | |
| S-Carboxymethylcysteine | 520337.00 | 13170784.00 | 666561.75 | 1360289.40 | 1846015.60 | 857002.60 | |
| S-Lactoylglutathione | 100587.25 | 105836.00 | 120341.50 | 101114.00 | 336766.00 | 261183.75 | |
| Specioside | 2599855.80 | 214470.50 | 950437.60 | 888100.40 | 209169.00 | 719828.00 | |
| Spermidine | 44333494.20 | 2122908.00 | 24138250.60 | 19837185.60 | 14064152.20 | 6891670.80 | |
| Spermidine_2 | 22955714.80 | 4443085.40 | 16020134.20 | 11056411.60 | 12375004.60 | 21675203.20 | |
| suberosin | 33384.33 | 1857.00 | 4250.50 | 57200.50 | 44896.25 | 1820.00 | |
| Taurine | 7660024.00 | 7366120.40 | 3417374.40 | 7512163.00 | 10859829.00 | 6506098.00 | |
| Taurine_2 | 7835942.20 | 7314086.40 | 3356972.20 | 7491240.80 | 10859829.00 | 6345715.40 | |
| Taurine_3 | 2969773.60 | 2103492.20 | 1233652.20 | 3010224.60 | 1499498.80 | 2947150.80 | |
| Taurine_4 | 36331311.20 | 23950697.60 | 22340890.60 | 24588901.60 | 26024614.40 | 23241918.60 | |
| Temazepam | 217343.50 | 207429.00 | - | 169004.00 | 490917.00 | 30569.00 | |
| terrein | 43841.00 | - | 3501152.00 | 29907.67 | 22753.67 | 48963.33 | |
| terrein_2 | 48056.50 | 9175.00 | 613455.50 | 140059.00 | 994621.50 | 45806.00 | |
| Topiramate | 51971.00 | - | 79040.00 | 289245.00 | 556270.00 | 76151.00 | |
| trans-p-Hydroxycinnamic acid | 120385592.80 | 122850759.20 | 58355671.20 | 116354931.20 | 180321473.60 | 105643740.00 | |
| trans-p-Hydroxycinnamic acid_2 | 120386830.40 | 122911376.80 | 58469533.60 | 116356708.80 | 180064352.00 | 105642112.00 | |
| Trehalose | 736473.00 | 109216.50 | 327031.40 | 23892.50 | 647567.00 | 342412.00 | |
| Triethanolamine | 1679061.40 | 770988.40 | 1128128.80 | 1105451.60 | 1318196.00 | 781450.40 | |
| Triethanolamine_2 | 1144781.60 | 532057.40 | 314876.80 | 565416.20 | 700391.40 | 510524.80 | |
| Uracil | 1702728.80 | 252267.33 | 4910328.80 | 1291039.80 | 1112687.40 | 1445106.80 | |
| Ureidoglutaric acid | 1224475.40 | 583433.60 | 991168.20 | 1062016.00 | 980618.80 | 899917.60 | |
| Uridine-5-diphosphoacetylgalactosamine | 626018.80 | 145160.00 | 318901.33 | 221458.00 | 35981.00 | 351572.40 | |
| Uridine 5^-monophosphate | 693351.40 | 181442.50 | 1772621.00 | 1741455.00 | 3175064.40 | 2827267.40 | |
| Urocanic acid | 14508160.00 | 10840376.40 | 17854430.40 | 19954293.00 | 11207822.00 | 162849221.80 | |
| valeramide | 13323855.20 | 8123091.40 | 140999911.40 | 9709204.40 | 10423744.60 | 10872923.60 | |
| valeramide_2 | 8159469.20 | 10833924.80 | 132915900.40 | 8033098.60 | 27732502.40 | 9655711.20 | |
| valeramide_3 | 24339726.50 | 20820042.20 | 157521381.80 | 29483053.60 | 54945776.40 | 22794533.20 | |
| valeramide_4 | 3389297.00 | 8936202.80 | 125772369.40 | 3726671.00 | 19014414.40 | 6863130.20 | |
| Villol | 292984.50 | 1959999.40 | 247775.75 | 592196.00 | 662626.60 | 637339.60 | |
| Vinyl Carbamate | 1276279.80 | 952236.40 | 1766848.20 | 1164539.20 | 1343782.40 | 1664238.80 | |
| Xanthine | 7956121.00 | 3608538.20 | 2412538.40 | 8886052.20 | 2875188.40 | 3048183.80 | |
| Xanthohumol | 409821.20 | 147553.25 | 149509.80 | 364597.20 | 344788.80 | 158088.00 | |
| Xanthosine | 1052732.20 | 281402.00 | 169458.80 | 342282.00 | 82841.80 | 293586.00 | |
| Xylose | 482148.40 | 324429.20 | 213186.25 | 438439.60 | 727554.60 | 552573.25 |
Factors:
| F1 | Genotype:Acod1 | Treatment:Citrobacter rodentium |
| F2 | Genotype:Acod1 | Treatment:Control |
| F3 | Genotype:Acod1 | Treatment:Dextran sulfate sodium |
| F4 | Genotype:WT | Treatment:Citrobacter rodentium |
| F5 | Genotype:WT | Treatment:Control |
| F6 | Genotype:WT | Treatment:Dextran sulfate sodium |
