MetabolomicsWorkbenchapplication/xmlhttp://www.metabolomicsworkbench.org/rest/study/study_id/ST000922/mwtabprimaryOK200MetabolomicsMass SpectrometryESICallinectes Sapidushttp://www.metabolomicsworkbench.org/data/DRCCMetadata.php?Mode=Study&StudyID=ST000922Diet:mud crab dietDiet:oyster dietUrineGeorgia Institute of TechnologyHILIC POSITIVE ION MODE. HILIC NEGATIVE ION MODE.MetabolomicsWorkbenchTaurine2_4-Dinitrophenylhydrazine2,5-dichlorobenzoquinoneProlylleucineValpromide_R14-(Heptyloxy)phenolZalcitabineValpromide_R3Valpromide_R24-Hydroxy-8-(beta-D-talopyranosyloxy)-2-quinolinecarboxylic acidCaprolactamp-cymene(S-(R*,R*))-3-((1-Carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic Acidbeta-D-glucuronamide7-Aminomethyl-7-deazaguanineN(6),N(6)-Dimethyladenine(-)-LupinineEctoineN5-Ethyl-L-glutamineKynurenic acid2-oxo-1_2-dihydroquinoline-4-carboxylate5-L-Glutamyl-taurine6-Acetyl-2-amino-1,7,8,9-tetrahydro-4H-pyrimido[4,5-b][1,4]diazepin-4-oneformyl-isoglutamine(S)-CarnitineN-Undecanoylglycine_R1N-Undecanoylglycine_R2N-(5-Aminopentyl)acetamide_R14-[(E)-2-{[1-Carboxy-3-(methylsulfinyl)propyl]amino}vinyl]-2,3-dihydro-2,6-pyridinedicarboxylic acidArecoline3-Dehydrocarnitine_R1UNII:6S7S02945H3-Dehydrocarnitine_R2Acetylcholine_R33-Dehydrocarnitine_R3Acetylcholine_R2Guvacoline3-Dehydrocarnitine_R4N-(5-Aminopentyl)acetamide_R2Acetylcholine_R1Acetophenone_R2Acetophenone_R1PEG n6_R2PEG n6_R1L-ThreonicacidPEG n6_R32-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinecarboxylic acidHexanoylglycine_R27-Methoxy-2-methylene-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acidMDMA Methylene homolog2,2,6,6-Tetramethyl-4-piperidinolHexanoylglycine_R1(3R,6R)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-methylbutanoatecarisoprodolPregabalin_R1Pregabalin_R24-Methylene-L-glutamine3-MethylcrotonylglycineTetrahydro-2-thiophenylacetic acidg-Aminobutyryl-lysineDeoxyribosetriphosphate3-hydroxy-1H-quinolin-4-one_R24-Hydroxy-5-[(E)-(hydroxymethylene)amino]-6-iminio-2-imino-1,2,5,6-tetrahydropyrimidin-5-ideDeoxyuridine3-hydroxy-1H-quinolin-4-one_R1UNII:212JQJ15PSAceclidineAsparaginyl-4-hydroxyprolineTauropinen-HexanamideHexylamine3-SulfamoylalanineL-Indospicine(4R)-4-{[3-(2-Aminoethyl)-1H-indol-5-yl]methyl}-1,3-oxazolidin-2-onediethylmaleate_R2Acetyl-beta-methylcholinediethylmaleate_R1PsilocybinafegostatUNII:OG645J8RVW1,3-DiisopropylbenzeneMercaptoethanolAciclovirPEG n5_R1PEG n5_R2DL-Stachydrine_R2(S)-1-Pyrroline-5-carboxylateDL-Stachydrine_R1ioneneDL-Carnitine_R38-[(Carboxymethyl)amino]-8-oxooctanoic acidDL-Carnitine_R1DL-Carnitine_R2Leucine_R2Leucine_R1Benserazidelys-thrSulfosalicylic AcidCholine_R2Choline_R1deoxyhypusine(5R,6S)-3-[(2-Aminoethyl)sulfanyl]-6-(hydroxymethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acidgamma-Glutamyl-gamma-aminobutyraldehyde5-Hydroxyisouratetyramine sulfate_R2tyramine sulfate_R3tyramine sulfate_R1L(-)-Carnitinebeta-Ionone2-MethylcholineMethylimidazoleaceticacid_R2Methylimidazoleaceticacid_R31-(4-Methoxyphenyl)piperazineN-alpha-Acetylarginine(5E,7E)-Dodecadienal1_2_4-TrimethylbenzeneXanthopterin-B21-Pyrroline-4-hydroxy-2-carboxylateAdenineDEET(2S)-2-Amino-8-hydroxyoctanoic acid_R3(2S)-2-Amino-8-hydroxyoctanoic acid_R4(2S)-2-Amino-8-hydroxyoctanoic acid_R1(2S)-2-Amino-8-hydroxyoctanoic acid_R2n-Amylbenzene6-Aminopenicillanate_R26-Aminopenicillanate_R12_2'-IminodipropanoateAcetyl-L-carnitine_R2Acetyl-L-carnitine_R1D-Phenylalanine(R)-1-Aminopropan-2-olN,N-Diethyl-4-methyl-1-piperazinecarboxamide 4-oxide_R1Ethyl N-acetyl-N-butyl-beta-alaninate_R2Ethyl N-acetyl-N-butyl-beta-alaninate_R1N,N-Diethyl-4-methyl-1-piperazinecarboxamide 4-oxide_R25-MethylcytosineEthyl N-acetyl-N-butyl-beta-alaninatePEG n7PEG n8PEG n9N-MethylpyridiniumtrihomomethionineGlycylproline4-Formyl-2-methoxyphenyl hydrogen sulfateProclavaminicacidgamma-L-Glutamylputrescine_R2tybamategamma-L-Glutamylputrescine_R1Tyraminegamma-GlutamylleucineAsulamPantothenicacid(VitaminB5)8-OxocoformycinN-UndecanoylglycineUNII:V18J24E25E2-Amino-4-[(4-aminobutyl)amino]butanoic acidPantothenicacid(VitaminB5)_R1Pantothenicacid(VitaminB5)_R2PropionylcarnitineParacetamol_R1Trigonelline_R2N-(4-Carbamimidamidobutyl)acetamideTrigonelline_R13-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanineParacetamol_R2nitecaponeImagabalinNicotinamideCyprodenate_R2Cyprodenate_R12-oxo-1_2-dihydroquinoline-4-carboxylate_R22-oxo-1_2-dihydroquinoline-4-carboxylate_R1L-ProlinamideN-alpha-L-Acetyl-arginine4-NitroanilinetetrahomomethionineHypoxanthine_R2L-HomocysteicacidHypoxanthine_R1S_S-Dimethyl-beta-propiothetintrans-Methyl dihydrojasmonateGuaninecapurideN,N-Diisopropylethylamine (DIPEA)2-Amino-4-[(3-aminopropyl)amino]butanoic acid2-Amino-7-methyl-7,9-dihydro-1H-purine-6,8-dioneBenzimidazoleXanthurenic acid_R2Xanthurenic acid_R1Xanthurenic acid_R4methyprylon_R1Xanthurenic acid_R3N-(1-{[Methyl(2-methyl-2-propanyl)carbamoyl]amino}ethyl)-alpha-asparaginemethyprylon_R3methyprylon_R2CreatinineMethylimidazoleacetic acid_R12-MethylguanosineAcamprosateN-AcetylputrescineValerolactamCytosine_R1Cytosine_R2Hypusine8-Amino-7-oxononanoate_R48-Amino-7-oxononanoate_R37-Methylguanine8-Amino-7-oxononanoate_R28-Amino-7-oxononanoate_R11-MethyladeninePEG n101,6-Dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione1-HexadecanoylpyrrolidineRiboflavinB23-[(2-Methylbutanoyl)oxy]-4-(trimethylammonio)butanoate3-Carboxy-1-methylpyridinium;N-Methylnicotinicacid4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide4,4-Dimethyl-5-(methylcarbamoyloxyimino)valeronitrilePhenacetin_R2delta-GuanidinovalericacidCholinesulfate_R2Cholinesulfate_R1Phenacetin_R1p-Xylene3-Guanidinopropanoate2-Amino-4-hydroxypteridine-6-carbaldehyden-Hexanamide_R2L-Alanyl-L-prolinen-Hexanamide_R1BetaineHeptanophenone6-Acetamido-3-aminohexanoate4-Hydroxy-8-(beta-D-talopyranosyloxy)-2-quinolinecarboxylic acid_R2DL-Homolanthionine sulfone4-Hydroxy-8-(beta-D-talopyranosyloxy)-2-quinolinecarboxylic acid_R1Prenyl-L-cysteineErucamideIndole;1-BenzazolemebutamateN-Tridecanoylglycine4-GuanidinobutanalAnhydroecgonine methyl esterUNII:BI845A018Tdl-Bamethane6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_R1(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_R2[FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicacidLinoleoyl EthanolamideSulfanilic acidDihydrothymineValyl-4-hydroxyproline4-Aminohippuricacidtranexamic acid_R2tranexamic acid_R3tranexamic acid_R1Butyryl-L-carnitineImidazoleacetic acidHydroxyanthraquinone4-Amino-N'-hydroxypyrimidine-5-carboximidamideOleoylethanolamideXanthurenicacid_R2Gabapentin_R1Xanthurenicacid_R1Gabapentin_R2Xanthurenicacid_R31,4-Dimethylimidazolegln-lys4-Methylene-L-glutamateN-CarbamoylputrescineBiopterinSulfateiones., Ionen, ion, Ion, ions, ionesstudy., urinary levels, urinary aspectsfalseCrab Urine StudyST0009226763