MetabolomicsWorkbenchapplication/xmlhttp://www.metabolomicsworkbench.org/rest/study/study_id/ST002470/mwtabprimaryOK200Mass SpectrometryESIUlcerative Colitishttp://www.metabolomicsworkbench.org/data/DRCCMetadata.php?Mode=Study&StudyID=ST002470collectionWeek:4 | PUCAI_C3_WKall:mildcollectionWeek:12 | PUCAI_C3_WKall:moderate/severecollectionWeek:12 | PUCAI_C3_WKall:inactivecollectionWeek:52 | PUCAI_C3_WKall:inactivecollectionWeek:0 | PUCAI_C3_WKall:moderate/severecollectionWeek:4 | PUCAI_C3_WKall:inactivecollectionWeek:4 | PUCAI_C3_WKall:moderate/severecollectionWeek:12 | PUCAI_C3_WKall:mildcollectionWeek:52 | PUCAI_C3_WKall:moderate/severecollectionWeek:0 | PUCAI_C3_WKall:mildBloodHILIC POSITIVE ION MODE. Reversed phase POSITIVE ION MODE. HILIC NEGATIVE ION MODE. Reversed phase NEGATIVE ION MODE.MetabolomicsWorkbenchMetabolomicsHomo SapiensBroad Institute of MIT and HarvardCAR 5:0PC 31:0TG 47:2TG 47:0TG 47:1PE P-36:2 or PE O-36:3SolanidinePhe-Ile1-methylxanthinegamma-Aminobutyric acidEctoineN1,N12-DiacetylsperminePC O-32:02-hydroxyglutarateoxalateN-6-TrimethyllysineglutamateTG 58:9PE 38:5TG 58:812-HEPEPE 38:4PE P-40:8 or PE O-40:7TG 58:6TG 58:3TG 58:210-HDoHEPE 38:6TG 58:1GMPCitrullineCapric acidPC P-34:3 or PC O-34:4PC P-34:2 or PC O-34:3LPC P-18:0 or LPC O-18:1PE P-38:2 or PE O-38:3N-Acetylaspartic acidN1-AcetylspermidineSM 18:1;O2/24:0N(6),N(6)-Dimethyl-lysineN-Acetyl-D-tryptophanSM 18:1;O2/24:1CAR 6:0CAR 4:0coenzyme Q10PC 30:0PC 30:1alpha-ketoglutarateTG 46:3CryptoxanthinTG 46:4PE P-36:3 or PE O-36:49-cis-Retinoic acidTG 46:1Phenylalanine-d8 [iSTD]TG 46:2alpha-Tocopherolcholesterol b-glucoside/galactosideTG 46:0GlycineUreidopropionic acidPE P-36:1 or PE O-36:2ArginineOleic acidS-Methylcysteine S-oxideN-Acetylglutamic acidbeta-tocopherol2-Hydroxy palmitic acidTG 57:2taurocholatePseudouridinePE P-34:2 or PE O-34:3urateProline betaine3-phosphoglyceratePro-GlyPC 36:4_aPC 36:4_b4-hydroxybenzeneacetonitrilelactatePantothenic acid4-Pyridoxic acidAcisogaCAR 5:1SM 18:1;O2/14:0Mesalamineerythronate/threonateTG 49:2TG 49:3Ne-Ne dimethyllysineTG 49:0RibothymidineTG 49:13-Hydroxydecanoic acidTaurohyodeoxycholic acidinosine-15N4ADPsphingosineC24:0 PCSaccharin3-Methylxanthine2-Aminooctanoic acidPC P-32:0 or PC O-32:1LPE 22:6PE P-40:6 or PE O-40:7CAR 18:2Hexadecanedioic acidCAR 18:1CAR 18:0Biliverdinadipate/methylglutarateisovalerate/valerate/methylbutyrateAla-AlaMethylguanidinehexose monophosphate1-MethylguanineUMPChenodeoxycholic acidOrnithinePC P-34:1 or PC O-34:2Eicosanedioic acidCAR 8:0LPC 20:5TG 48:5LPC 20:3PC P-36:3 or PC O-36:4_aLPC 20:4butyrateTG 48:3TG 48:4TG 48:1SerineC16 SphingosineTG 48:2ProlineTG 48:0lactoseLPC 20:12-HydroxyibuprofenphenyllactatesuberateAspartic acidDiethanolamineN-LauroylglycinePC P-36:2 or PC O-36:3ThiamineAdenosineGlycoursodeoxycholic acidMG 14:0_bPC 40:6PE P-34:1 or PE O-34:2PC 40:9quinateUric acidGuanidoacetic acidLinoleic acidhomovanillateTG 56:5_bPEP15S-15-methyl PGE2 [iSTD]HypotaurineCAR 7:0TG 56:5_ainosinePro-Ala/Ala-ProTG 43:2Tetradecanedioic acidDocosahexaenoic acidTG 43:0N-Acetyl-D-galactosamineTG 43:1N6-AcetyllysineLPE 20:1LPE 20:3CAR 4:0;OHhippurateLPE 20:4hypoxanthineLPE 20:01-methylhistidinePhytanic acidLPC 18:2LPC 18:3Taurocholic acidLPC 18:0TG 54:9ThreonineLPC 18:1TG 54:813-HODEcitrate/isocitrateCMPTG 54:6TG 54:5TG 54:4TG 54:3TG 54:2CE 20:4TG 54:1CAR 16:0CE 20:54-pyridoxateUrocanic acidPE P-38:6 or PE O-38:7CE 20:3AcesulfameDehydroepiandrosterone sulfateTG 58:10AcetaminophenLysineTG 58:11SM 18:1;O2/20:0PS P-36:1 or PS O-36:2Eicosenoic acidglycocholate-d4N(6)-MethyllysineGlutamic acidCer 18:1;O2/16:0Cer 18:1;O2/16:1HydroxyprolinemalonateCAR 26:0TG 42:0glutathione reducedPiperine3S-Hydroxyhexanoic acidsebacatepantothenateCreatinineTaurolithocholic acid12,13-diHOMEC17 SphinganineLPC 19:015R-15-methyl PGA2 [iSTD]2-Hydroxyoctanoic acidMethyl dodecanoateTG 53:3TG 53:2RetinolsalicylurateC20 Sphingosine7-Methylguaninechenodeoxycholate/deoxycholateGlycolithocholic acidValineMargaric acidN-AcetylleucineCAR 9:0N-Methyl-prolineTG 45:2Theobromine2-aminoadipateTG 45:0CortisolTG 45:1Glycocholic acidPipecolic acidPE 40:61-methylurateLeu-LeuTG 60:12BetainePE P-36:0 or PE O-36:1N-methylhistamineIbuprofen4-Aminohippuric acid(E,E)-Trichostachine_bStearic acid(E,E)-Trichostachine_aaspartateCE 22:6fucosehexose diphosphateIle-ValCE 22:44-Acetamidobutanoic acidTG 56:9CE 22:5TG 56:8AMPindole-3-propionateTG 56:7TG 56:6TG 56:4CinnamoylglycineTG 56:3PE P-38:5 or PE O-38:6TG 56:2TG 56:1PE P-38:4 or PE O-38:5acesulfameCAR 14:2CAR 14:1CAR 14:0CarnitinemalateOleoyl-EASM 18:1;O2/22:0Taurochenodeoxycholic acidSM 18:1;O2/22:115S-15-methyl PGE1 [iSTD]PC P-34:0 or PC O-34:1Cer 18:1;O2/18:0Trimethylamine N-oxidePS 40:6Cer 18:1;O2/18:1TG 44:1TG 44:2sorbitolTG 44:0uridinefumarate/maleatePC P-36:4 or PC O-36:515R-15-methyl PGF2a [iSTD]SphinganineLPC(P-18:0)/LPC(O-18:1)_BpropionatemesaconateGlycochenodeoxycholic acid6-phosphogluconateTG 55:3glutathione oxidizedpseudouridinetartarateHyodeoxycholic acid1-MethyladenosineDG 38:211-HETEDG 38:3fructose/glucose/galactose2-hydroxy-3-methylpentanoate/hydroxyisocaproateDG 38:1Tridecylic acid9,10-DiHOMEDG 38:5indoxylsulfateN-Acetylalanine3-3-hydroxyphenylpropionatesaccharin5-Acetylamino-6-amino-3-methyluracil1-MethylhistamineTaurineAllantoinHydrocinnamic acidArachidic acidCoenzyme Q9kynureninehydrocinnamateTG 62:3Val-Arg/Val-ArgTG 50:1TG 50:0alpha-N-Phenylacetylglutamine5-dodecenoatethymine-d4Gly-ArgtridecylamineKynurenic acidbeta-AlanineN-Formylmethionine10-Hydroxystearic AcidPhe-TrpAgmatinethreosphingosineMyristoleic acidCer 18:1;O2/24:1DG 38:4_bLPC 14:0DG 38:4_aTrigonellineMG 18:0CAR DC3:0;2MeMethionineglucuronateCAR 12:0TG 50:6TG 50:5taurodeoxycholate/taurochenodeoxycholateTG 50:3Cer 18:1;O2/24:0TG 50:2CAR 12:1Monoethylglycinexylidide3-methyladipate/pimelatePS 34:01-Methylguanosine1-Methyl nicotinamideLauric acidPC 38:2PC 38:3N-AcetylargininePC 38:6PC 38:4CE 14:011-HDoHECystinequinolinateundecanedionateTriethanolamine3-Methyladipic acidSymmetric dimethyl-arginineLPC 15:0NiacinamidePhenylalanineSerotoninindolelactate4-Guanidinobutanoic acidCholesterolCholestenoneTG 60:2DG 36:4Aminoisobutyric acidDG 36:2DG 36:3xanthineEicosadienoic acidDG 36:0ATPEicosapentaenoic acidDG 36:13-DehydroxycarnitineLPE P-18:0 or LPE O-18:1N-AcetylisoputreanineLinoleoyl-EAValine-d8 [iSTD]Hexose2-hydroxy-3-methylbutyrate/hydroxyisovaleratealpha-keto-beta-methylvalerate/alpha-ketoisocaproateCreatineTG 41:0Sphingosine 1-phosphateadonitol/arabitolCaprylic acidCytosineTyrosine4-hydroxybenzaldehydeMG 16:1sucrose/lactose/trehaloseLPC 16:0HomoarginineLPC 16:1TG 52:7N2,N2-DimethylguanosinePC O-18:0 (C16-PAF)TG 52:6LenticinCAR 10:1CAR 10:0TG 52:4PE 32:0TG 52:3alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxyisobutyrateTG 52:2TG 52:1TG 52:0C20 SphinganineMyristic acidgentisateHypoxanthinePhenyllactic acidDG 35:1DG 35:22-aminobutyrateAdrenic acidCE 16:0Cer 18:1;O2/14:0CE 16:1Hippuric acidalpha-Linolenic acidPC 36:1Leu-PhePC 36:2CAR 20:4succinateTG 51:0p-Acetamidophenylglucuronide3-hydroxymethylglutarateIsoleucine13-cis-Retinoic acidLPC 17:0PC P-34:0 or PC O-34:1_aglycodeoxycholate/glycochenodeoxycholateGlu-IleTG 51:4pyruvateTG 51:3TG 51:2TG 51:1CortisonePalmitoleic acidnicotinateTG 56:10Palmitoyl-EAuracilD-N-AcetylgalactosamineInosineDG 34:2DG 34:3DG 34:0DimethylglycinethymineDG 34:1GlutamineTG 58:7_bMethylimidazoleacetic acidPC 35:2Cholic acidPalmitic acidArachidonic acidNonadecylic acidGDPHistidineLys-GlyAnserineDMGVLPC O-18:03-MethylhistidineSM 18:1;O2/16:1StearamideTG 58:7_aSM 18:1;O2/16:0CaffeineglycocholateNervonic acid15-HETEPE 34:0p-Hydroxyphenylacetic acidCer 18:1;O2/20:0Cer 18:1;O2/20:1aconitatePE 34:2Sebacic acidN-acetylglutamate5-Dodecenoic acidN4-AcetylcytidineMetronidazoleTheophyllineLPE 17:0PC P-38:3 or PC O-38:4_aCE 18:0PC 34:2CE 18:2PC 34:3CE 18:17-Ketodeoxycholic acidPC 34:0LPC 22:5LPC 22:6PC 34:1CE 18:3PC 34:410Z-Heptadecenoic acidPentadecylic acidN-AcetylornithineIle-Trpvalerate/isovalerateTarginineO-ethyl-homoserineIndoleacetic acidsn-Glycero-3-phosphocholine3-Hydroxyoctanoic acidN-acetyl-5-Aminosalicylic acidPC 40:10acetaminophen glucuronideSalicylic acidcis-Erucic acidAlaninealpha-glycerophosphateN-AcetylhistidineLevulinic acidDodecanedioic acidN-Acetylputrescine2-isopropylmalateTryptophanmyristoleateXanthineEicosatrienoic acidPC P-38:6 or PC O-38:7C22 SphingosineCholineD-alpha-tocopherylquinoneDG 32:0DimethylarginineLPE 18:0AsparagineDG 32:1LPE 18:1LPE 18:2glycerateLPE 18:3DG 32:22-aminoheptanoateCAR 3:0Nicotinic acid3-(N-Acetyl-L-cystein-S-yl) acetaminophenPE P-36:4 or PE O-36:5TG 60:3pentose monophosphatePC P-36:1 or PC O-36:2SM 18:1;O2/18:3SM 18:1;O2/18:1LPC O-16:0SM 18:1;O2/18:0UDPCholine phosphate7-Methylxanthine15S-15-methyl PGD2 [iSTD]PE 36:412-HETEMandelic acidinositolN1-Methyl-2-pyridone-5-carboxamidePE 36:2Cer 18:1;O2/22:0IMPCAR DC5:0Nonadeca-10Z-enoic acidPE 36:1xanthurenatePE 36:0Gly-ProHistaminethreitolPC P-34:4 or PC O-34:5anhydroDglucoseOxypurinolTetradecylaminePC 32:0PC 32:1Phe-PheLPC 24:0CAR 2:0Methionine sulfoxidePC 32:24,7,10,13,16-Docosapentaenoic acid7-methylxanthineLeucine17-MethylstearateTaurodeoxycholic acidalpha-ketoisovalerate5-Amino-levulinic acidAzelaic acidglycidyl linoleate2-Aminobenzoic acidPC P-36:0 or PC O-36:1LPC P-16:0 or LPC O-16:1Imidazolepropionic acid2-Hydroxymyristic acidLPC 20:3_aLPC 20:3_bPantoprazoleSalicyluric acidCAR DC6:0Deoxycholic acid2-(3-hydroxyphenyl)acetic acid (mHPAA)adenineGlycodeoxycholic acidDG 30:0Juniperic acidPC P-38:5 or PC O-38:6LPE 16:0CMPFLPE 16:1falseLinking bacterial metabolites to disease-associated microbes to uncover mechanisms of host-microbial interactions in intestinal inflammation. Human plasma profilingST0024709606