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Analysis: None (Direct infusion) UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,5-Anhydro-glucitol-4TMS1,5-AnhydrosorbitolME560448----
2-Aminobutyric acid-2TMS2-Aminobutyric acidME560455----
2-Hydroxyisovaleric acid-2TMS2-Hydroxy-3-methylbutyric acidME560462----
2-Hydroxybutyric acid-2TMS2-Hydroxybutyric acidME560459----
2-Hydroxyglutaric acid-3TMS2-Hydroxyglutaric acidME560460----
2-Hydroxyisobutyric acid-2TMS2-Hydroxyisobutyric acidME560461----
3-Aminoisobutyric acid-2TMS3-Aminoisobutanoic acidME560464----
3-Hydroxybutyric acid-2TMS3-Hydroxybutyric acidME560466----
3-Hydroxyisovaleric acid-2TMS3-Hydroxyisovaleric acidME560467----
3-Methyladipic acid-2TMS3-Methyladipic acidME560469----
3-Phosphoglyceric acid-4TMS3-Phosphoglyceric acidME560470----
4-Aminobutyric acid-3TMS4-Aminopentanoic acidME560471----
4-Hydroxyphenyllactic acid-3TMS4-Hydroxyphenyllactic acidME560472----
5-Aminovaleric acid-3TMS5-Aminopentanoic acidME560473----
5-Methoxytryptamine-2TMS5-MethoxytryptamineME560474----
Acetoacetic acid-2TMS(2)Acetoacetic acidME560476----
Adenine-2TMSAdenineME560478----
Adenosine-4TMSAdenosineME560479----
Adipic acid-2TMSAdipic acidME560480----
Alanine-2TMSAlanineME560450----
2-Aminoadipic acid-3TMSalpha-Aminoadipic acidME560454----
Arabitol-5TMSArabitolME560481----
Arachidonic acid-TMSArachidonic acidME560482----
Arginine-3TMSArginineME560483----
Asparagine-3TMSAsparagineME560484----
Aspartic acid-3TMSAspartic acidME560485----
Benzoic acid-TMSBenzoic acidME560486----
3-Aminopropanoic acid-2TMSbeta-AlanineME560465----
Cadaverine-3TMSCadaverineME560487----
Decanoic acid-TMSCapric acidME560496----
Caproic acid-TMSCaproic acidME560488----
Octanoic acid-TMSCaprylic acidME560565----
1-Hexadecanol-TMSCetyl alcoholME560453----
Cholesterol-TMSCholesterolME560489----
Citramalic acid-3TMSCitramalic acidME560490----
Citric acid-4TMSCitric acidME560491----
Creatinine-3TMSCreatinineME560492----
Cystathionine-4TMSCystathionineME560493----
Cysteine-3TMSCysteineME560494----
Cytosine-2TMSCytosineME560495----
2'-Deoxyuridine-3TMSDeoxyuridineME560458----
Dihydrouracil-2TMSDihydrouracilME560497----
Dihydroxyacetone phosphate-meto-3TMS(2)Dihydroxyacetone phosphateME560498----
Dimethylglycine-TMSDimethylglycineME560499----
Docosahexaenoic acid-TMSDocosahexaenoic acidME560500----
Tagatose-meto-5TMS(1)D-TagatoseME560596----
Eicosapentaenoic acid-TMSEicosapentaenoic acidME560501----
Elaidic acid-TMSElaidic acidME560502----
meso-Erythritol-4TMSErythritolME560552----
Erythrulose-meto-3TMS(2)ErythruloseME560503----
2-Aminoethanol-3TMSEthanolamineME560456----
Fructose-meto-5TMS(1)FructoseME560506----
Fructose 1-phosphate-meto-6TMS(1)Fructose 1-phosphateME560504----
Fructose 6-phosphate-meto-6TMSFructose 6-phosphateME560505----
Fumaric acid-2TMSFumaric acidME560507----
Galacturonic acid-meto-5TMS(2)Galacturonic acidME560508----
Glucaric acid-6TMSGlucaric acidME560509----
Sedoheptulose-meto-6TMS (1)GlucoheptuloseME560589----
Gluconic acid-6TMSGluconic acidME560510----
Glucosamine-5TMS(1)GlucosamineME560512----
1,6-Anhydroglucose-3TMSGlucosanME560449----
Glucose-meto-5TMS(1)GlucoseME560514----
Glucose-meto-5TMS(2)GlucoseME560515----
Glucose 6-phosphate-meto-6TMS(1)Glucose 6-phosphateME560513----
Glucuronic acid-meto-5TMS(1)Glucuronic acidME560516----
Glutamic acid-3TMSGlutamic acidME560518----
Glutamine-3TMSGlutamineME560519----
Glutaric acid-2TMSGlutaric acidME560520----
Glutathione-nTMSGlutathioneME560521----
Glyceric acid-3TMSGlyceric acidME560522----
Glycerol-3TMSGlycerolME560525----
Glycine-2TMSGlycineME560526----
Glycine-3TMSGlycineME560527----
Glycolic acid-2TMSGlycolic acidME560528----
Glycyl-Glycine-4TMSGly-GlyME560529----
Glyoxylic acid-meto-TMSGlyoxylic acidME560530----
Guanine-3TMSGuanineME560531----
Guanosine-5TMSGuanosineME560532----
Histidine-3TMSHistidineME560533----
Homocysteine-3TMSHomocysteineME560534----
3-Hydroxypropionic acid-2TMSHydroxypropionic acidME560468----
Hypotaurine-3TMSHypotaurineME560535----
Hypoxanthine-2TMSHypoxanthineME560536----
Inosine-4TMSInosineME560537----
Inositol-6TMS(2)InositolME560539----
Inositol phosphate-7TMSInositol phosphateME560538----
Isocitric acid-4TMSIsocitric acidME560540----
Isoleucine-2TMSIsoleucineME560541----
Kynurenine-2TMSKynurenineME560542----
Lactic acid-13C3-2TMSLactic acidME560543----
Lauric acid-TMSLauric acidME560544----
Leucine-2TMSLeucineME560545----
Linoleic acid-TMSLinoleic acidME560546----
Lysine-4TMSLysineME560547----
Malic acid-3TMSMalic acidME560548----
Mannose-meto-5TMS(1)MannoseME560550----
Mannose 6-phosphate-meto-6TMS(1)Mannose 6-phosphateME560549----
Mesaconic acid-2TMSMesaconic acidME560551----
Methionine-2TMSMethionineME560553----
Myristic acid-TMSMyristic acidME560554----
N-Acetyl-L-alanine-TMSN-AcetylalanineME560556----
N-Acetylaspartic acid-2TMSN-Acetylaspartic acidME560555----
Acetylglycine-2TMSN-AcetylglycineME560477----
N-Acetylmannosamine-meto-4TMS(1)N-Acetyl-mannosamineME560557----
N-Acetylserine-2TMSN-AcetylserineME560558----
N-Butyrylglycine-TMSN-ButyrylglycineME560559----
N-Formyl-L-Methionine-meto-TMSN-FormylmethionineME560560----
Niacinamide-TMSNiacinamideME560561----
Nicotinic acid-TMSNicotinic acidME560562----
Octopamine-4TMSOctopamineME560566----
Oleamide-TMSOleamideME560567----
Oleic acid-TMSOleic acidME560568----
Ornithine-4TMSOrnithineME560571----
Oxalic acid-2TMSOxalic acidME560572----
Palmitic acid-TMSPalmitic acidME560573----
Palmitoleic acid-TMSPalmitoleic acidME560574----
Pantothenic acid-3TMSPantothenic acidME560575----
Nonanoic acid-TMSPelargonic acidME560563----
Phenylacetic acid-TMSPhenylacetic acidME560576----
Phenylalanine-2TMSPhenylalanineME560577----
O-Phosphoethanolamine-3TMSPhosphoethanolamineME560569----
O-Phosphoethanolamine-4TMSPhosphoethanolamineME560570----
Phosphoric acid-3TMSPhosphoric acidME560578----
Proline-2TMSProlineME560579----
Putrescine-4TMSPutrescineME560580----
5-Oxoproline-2TMSPyroglutamic acidME560475----
Pyruvic acid-meto-TMSPyruvic acidME560581----
Ribitol-5TMSRibitolME560583----
Ribonic acid-5TMSRibonic acidME560584----
Ribose-meto-4TMSRiboseME560586----
Ribose 5-phosphate-meto-5TMS(1)Ribose 5-phosphateME560585----
Sarcosine-2TMSSarcosineME560587----
Sedoheptulose 7-phosphate-meto-7TMSSedoheptulose 7-phosphateME560588----
Serine-3TMSSerineME560590----
Glycerol 2-phosphate-4TMSsn-Glycero-2-phosphateME560523----
Glycerol 3-phosphate-4TMSsn-Glycero-3-phosphateME560524----
13C6-SorbitolSorbitolME560452----
Sorbitol-6TMSSorbitolME560591----
Stearic acid-TMSStearic acidME560592----
Octadecanol-TMSStearyl alcoholME560564----
Stigmasterol-TMS (Putative)StigmasterolME560593----
Succinic acid-2TMSSuccinic acidME560594----
Sucrose-8TMSSucroseME560595----
Taurine-3TMSTaurineME560597----
Threonic acid-4TMSThreonic acidME560598----
Threonine-3TMSThreonineME560599----
Trehalose-8TMSTrehaloseME560600----
Triethanolamine-3TMSTriethanolamineME560601----
Tryptophan-3TMSTryptophanME560602----
Tyramine-3TMSTyramineME560603----
Tyrosine-3TMSTyrosineME560604----
Uracil-2TMSUracilME560605----
Urea-2TMSUreaME560606----
Uric acid-4TMSUric acidME560607----
Uridine-4TMSUridineME560608----
Valine-2TMSValineME560609----
Xanthine-3TMSXanthineME560610----
Xanthosine-5TMSXanthosineME560611----
Xylitol-5TMSXylitolME560612----
13C5,15N1-Valine-ME560451----
2-Aminopimelic acid-3TMS-ME560457----
3-Aminoglutaric acid-2TMS-ME560463----
Glucono-1,4-lactone-4TMS-ME560511----
Glutamic acid 5-methylester-2TMS-ME560517----
Pyruvic acid-oxime-2TMS-ME560582----


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