MetabolomicsWorkbenchapplication/xmlhttp://www.metabolomicsworkbench.org/rest/study/study_id/ST000923/mwtabprimaryOK200Mass SpectrometryESIInflammatory Bowel Diseasehttp://www.metabolomicsworkbench.org/data/DRCCMetadata.php?Mode=Study&StudyID=ST000923Diagnosis:nonIBD | sex:MaleDiagnosis:CD | sex:MaleDiagnosis:UC | sex:FemaleDiagnosis:nonIBD | sex:FemaleDiagnosis:CD | sex:FemaleDiagnosis:UC | sex:MaleFecesHILIC POSITIVE ION MODE. HILIC NEGATIVE ION MODE. C18 NEGATIVE ION MODE. C8 POSITIVE ION MODE.MetabolomicsWorkbenchMetabolomicsHomo SapiensBroad Institute of MIT and HarvardC44:0 TAG [M+NH4]+C52:3 TAG [M+NH4]+hydroxycotininesalicylatealloisoleucineC14:0 LPCeicosadienoateC36:2 DAG [M+NH4]+C51:2 TAGC50:5 TAGindoxyl sulfateC18:2 carnitine2-hydroxyglutarateC32:0 PEC50:1 TAG [M+NH4]+oxalateC32:0 PCglutamateC14:2 carnitineC54:5 TAG [M+NH4]+C16-OH carnitinecytidineC54:6 TAG [M+NH4]+adenosineC16:1 LPCcortisolC38:4 DAG [M+NH4]+C18:3 LPCC46:0 TAGC20:3 CE [M+NH4]+C52:6 TAGC24:0 SMC38:5 DAG [M+NH4]+C18:2 CEC10:2 carnitineC20:4 CE [M+NH4]+C20:5 CE [M+NH4]+C52:4 TAG [M+NH4]+C52:2 TAG [M+NH4]+histamineC8 carnitinealpha-ketoglutarate3-hydroxydecanoateC53:3 TAGmandelatetaurolithocholateasparagineN2,N2-dimethylguanosinepalmithoylethanolamideC48:4 TAG [M+NH4]+ornithineC22:0 LPEC36:1 DAG [M+NH4]+creatinineC36:3 DAG [M+NH4]+C20 carnitineC53:3 TAG [M+NH4]+C16:1 SMC18:1 CEC56:2 TAGC50:0 TAG [M+NH4]+C20:5 CElinoleoylethanolamideN1-acetylspermineC32:2 DAGcitrateC46:2 TAG [M+NH4]+C50:2 TAG [M+NH4]+C48:1 TAGmetformintaurocholatesphingosine-isomer3sphingosine-isomer2sphingosine-isomer1C36:1 PCC51:1 TAG [M+NH4]+taurochenodeoxycholateurateglycodeoxycholateguanosineC20:0 SMC3-DC-CH3 carnitineC51:3 TAG [M+NH4]+corticosteroneC34:1 DAG [M+NH4]+lactate4-hydroxybenzeneacetonitrile5-aminolevulinic acidC34:3 DAGC48:3 TAG [M+NH4]+C56:6 TAG [M+NH4]+N6,N6,N6-trimethyllysineC53:2 TAG [M+NH4]+sphingosineN-alpha-acetylarginineC36:2 PCC51:0 TAG [M+NH4]+arginineC48:2 TAGC38:4 PC plasmalogeneicosanedioateleucineC46:1 TAGC51:1 TAGC54:4 TAG [M+NH4]+1.2.3.4-tetrahydro-beta-carboline-1.3-dicarboxylateC18:2 LPCC18:2 LPEoxypurinolanserine3-methylglutaconatemethionine1-methylguanineC52:7 TAGalpha-glycerophosphocholineUMPmetronidazoleC32:1 PCC16:0 LPCbeta-guanidinopropionic acidC16:0 LPEC22:0 Ceramide (d18:1)carnosol2-deoxycytidinenicotinuric acidbutyrateN-carbamoyl-beta-alanineN-acetyalaninetetrahydro-1-methyl-beta-carboline-3-carboxylateC38:6 PClactoseacetyl-galactosamineC16:1 LPEC4 carnitineC36:4 DAGcaffeinephenyllactateC56:3 TAGC20:5 LPCimidazole propionatesuberateC22:4 CE [M+NH4]+proline betaineoleatehyodeoxycholate/ursodeoxycholateC20:0 LPE4-nitrophenolalpha-linolenateC46:1 TAG [M+NH4]+C58:10 TAGS-methylcysteine-S-oxidenonadecanoateC18:0 CEhomovanillateC38:5 DAG4-methylcatecholcarnitineC22:6 CE [M+NH4]+betaineC55:3 TAGC48:3 TAGinosineC22:6 LPC4-hydroxystyreneC34:3 PCpiperinehydroxymyristatehippuratearachidateC32:1 DAGhypoxanthineN-acetylaspartic acidglycineC3 carnitineketodeoxycholatephenylacetylglutamineC18:1 LPEC36:2 PC plasmalogenC18:1 LPCC56:7 TAGhexadecanedioateglycolithocholatemethylimidazole acetic acidtheophyllinecystineniacinamide4-pyridoxateC2 carnitineC34:2 DAGC56:4 TAG [M+NH4]+4-hydroxy-3-methylacetophenonealpha-hydroxymetoprololC50:3 TAGC56:3 TAG [M+NH4]+C22:6 LPEhydroxyprolineC18:1-OH carnitinestearateC22:1 MAG [M+NH4]+C56:4 TAGC36:3 DAGC52:5 TAGN6,N6-dimethyllysinemalonatep-hydroxyphenylacetatesebacatepantothenatetryptophanN1-methyl-2-pyridone-5-carboxamidepalmitoylethanolamideC50:4 TAG [M+NH4]+C18:0 LPCC54:6 TAGC34:3 DAG [M+NH4]+C52:0 TAG [M+NH4]+linoleoyl ethanolamidehistidinephytosphingosineC22:1 SMserine10-heptadecenoateC44:2 TAG [M+NH4]+C51:3 TAGN-acetylglutamineN-acetylputrescineolmesartancetrizineC54:5 TAG2-aminoadipateC32:0 DAGC18:0 LPE4-aminophenolC36:0 DAG [M+NH4]+N1-acetylspermidineC16:1 MAG [M+NH4]+C46:0 TAG [M+NH4]+aspartateputrescineC14:0 SMfucosespermidineC34:1 DAGC56:6 TAGindole-3-propionateADMA/SDMAbeta-sitosterolC34:2 PCpipecolic aciddiacetylspermineC36:1 PC plasmalogentaurineC50:4 TAGphytanateacesulfame3-methylxanthineprolineC16:0 SMC48:4 TAGmalateguanine2-hydroxy-3-methylbutyratetaurohyodeoxycholate/tauroursodeoxycholatecrustecdysoneC44:1 TAG [M+NH4]+masilinateribothymidineC34:1 PC3'-O-methyladenosineurobilinC16:1 LPC plasmalogensorbitolC52:4 TAGuridinefumarate/maleateC24:1 SMdocosapentaenoateatenololC18:2 CE [M+NH4]+propionateC20:4 carnitineC50:3 TAG [M+NH4]+C18:3 CEpseudouridinetartarate7-methylguanineC14 carnitineC51:2 TAG [M+NH4]+fructose/glucose/galactosetetradecanedioateC36:2 DAGthreonineascorbateepiandrosteroneC30:0 DAGC34:2 DAG [M+NH4]+2-hydroxy-3-methylpentanoateC52:1 TAG [M+NH4]+saccharin5-acetylamino-6-amino-3-methyluracilnorepinephrineC22:5 CE21-deoxycortisolC54:4 TAGhydrocinnamatesulfapyridineaminoisobutyric acid/GABAC16:0 CE [M+NH4]+C16:1 CE [M+NH4]+serotonin5-dodecenoateadipatefurosemidecholesterolcarboxyibuprofenthreosphingosineshikimateC22:0 SM10-nonadecenoateorotate2-deoxyadenosinedeoxycholate17-methylstearateC9 carnitineimidazolelactatemethionine sulfoxideC16:1 CEC34:2 PC plasmalogencreatinexylosebilirubin3-methyladipate/pimelateC16 carnitineC16:1 MAGC18:1 carnitinedTMPkynurenic acidphenylacetateC20:3 LPCpalmitoleateC36:4 PC-A1-3-7-trimethyluratecaproateC50:2 TAGC14:1 carnitineC16:0 Ceramide (d18:1)S-adenosylmethioninedimethylglycineC36:4 PC-BC34:0 DAGC36:5 PC plasmalogentrimethylbenzenecytosineC46:3 TAGC38:2 PCundecanedionateC12 carnitinealanineC12:1 carnitineC22:6 CEC52:3 TAGC44:2 TAGC45:0 TAGC34:0 PCC34:0 PEdCMPdodecanedioatexanthinetauro-alpha-muricholate/tauro-beta-muricholateC36:1 DAGN1,N12-diacetylspermine8-hydroxy-deoxyguanosineC18 carnitinepentadecanoategemfibrozilN-acetylhistaminearachidonate1-methylguanosineC55:2 TAGcarnosol_isomerhomocitrullineC54:3 TAGC34:4 PC plasmalogenC42:0 TAGcholateC10 carnitine4-hydroxybenzaldehydeC22:4 CEagmatineC20:4 LPEC5 carnitine9.10-diHOMEchenodeoxycholateoxymetazolineC18:1 SMC20:4 LPC3-methylhistidinelysineacetaminophengentisatetyrosineC56:2 TAG [M+NH4]+porphobilinogen2-aminobutyrateC50:1 TAG4-guanidinobutanoic acidC24:0 Ceramide (d18:1)C2 Ceramide (d18:1)C18:3 CE [M+NH4]+guanidoacetic acid13-docosenoateC18:0 SMsuccinatealpha-muricholateC46:2 TAGC18:1 CE [M+NH4]+C22:1 MAGC32:2 DAG [M+NH4]+3-hydroxymethylglutaratesphinganineazelatecadaverinediaminopimelateN6-acetyllysine2-hydroxyoctanoateC36:0 DAGphenylalanine2-hydroxyhexadecanoateacetylalanineC50:5 TAG [M+NH4]+C44:1 TAGpalmitatedocosahexaenoatenicotinateC18:0 LPE-AC18:0 LPE-BC18:0 MAG [M+NH4]+uracilC52:2 TAGacetylcholine2-hydroxyibuprofenthyminecinnamoylglycineheptanoatealanylalanine2'-O-methyladenosineC52:1 TAGisoleucineC18:1 LPC plasmalogenC38:4 PCC20:1 LPCC32:1 DAG [M+NH4]+C54:2 TAGbutyrobetaineglycocholatepterinC51:0 TAGC36:3 PCN-acetylglutamatealpha-CEHChomoargininehydrochlorothiazide5-hydroxytryptophanglycochenodeoxycholateurobilin - targetedmyristateC44:0 TAGC49:1 TAG [M+NH4]+C48:2 TAG [M+NH4]+C52:6 TAG [M+NH4]+glutaminecholinevalerate/isovaleratepyridoxinedodecanoateC54:2 TAG [M+NH4]+caprylateethyl glucuronidecaprateriboflavinalpha-glycerophosphate13-cis-retinoic acidmyristoleateheptadecanoateC50:0 TAGbeta-alanineeicosenoategabapentinadrenate1-methylnicotinamideC24:1 Ceramide (d18:1)glycerateC48:0 TAG [M+NH4]+C18:0 MAGindoleacetatedihydroorotateC36:4 PC plasmalogenC34:1 PC plasmalogenlinoleateC16:0 CE5alpha-cholestan-3beta-olC52:5 TAG [M+NH4]+pentose monophosphateC36:4 DAG [M+NH4]+N-acetylornithineC54:3 TAG [M+NH4]+C52:0 TAGC20:3 CEeicosatrienoateC14:0 CEC42:0 TAG [M+NH4]+taurodeoxycholatebiotinerythronatexanthurenateacetytyrosine3-hydroxyoctanoateC56:1 TAG [M+NH4]+1-methylhistamineC54:1 TAGquininebiliverdinNMMAnervonic acidoleanate12.13-diHOMEcitrullineglycoursodeoxycholatehistidinolC30:0 PCcotinine2-aminoheptanoic acid7-methylxanthineeicosapentaenoatealpha-ketoisovaleratetrimethylamine-N-oxidetrigonellineC18:0 CE [M+NH4]+pyrocatecholC22:5 CE [M+NH4]+C56:1 TAGC48:0 TAGC46:3 TAG [M+NH4]+N-acetylhistidineC48:1 TAG [M+NH4]+N-methylprolineC38:3 PClithocholateadeninevalineectoineimidazoleacetic acidC20:4 CEMicrobial Community Composition, Community Composition, human being, Microbiomes, Man (Taxonomy), Bowel Diseases, inflammatory bowel disease., Microbial Community Compositions, IBD, Microbial Community, Modern, Microbial Community Structure, Metabonomic, Community Structure, INFLAMM BOWEL DIS, Metabonomics, Microbial, Inflammatory Bowel Disease, human, Human, Composition, Inflammatory Bowel Diseases, Homo sapiens, Modern Man, Microbial Community Structures, Inflammatory bowel disease, Microbiotas, autoimmune bowel disorder, Metabolomic, Inflammatory, Man, Human Microbiomes, Microbial Communities, Community, Human Microbiome, MicrobiomeC18, D1, PTHB1, B1.falseLongitudinal Metabolomics of the Human Microbiome in Inflammatory Bowel DiseaseST0009239606