Metabolomics Workbench : NIH Data Repository : Analyze Studies

Analysis: Reversed phase POSITIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
1-Met-His	1-Methylhistidine	ME552089	-	-	-	-
3-Met-His	3-Methylhistidine	ME552090	-	-	-	-
5-AVA	5-Aminopentanoic acid	ME552091	-	-	-	-
AABA	2-Aminobutyric acid	ME552092	-	-	-	-
Ac-Orn	N-Acetylornithine	ME552093	-	-	-	-
ADMA	Dimethylarginine	ME552094	-	-	-	-
Ala	Alanine	ME552069	-	-	-	-
alpha-AAA	Aminoadipic acid	ME552095	-	-	-	-
Anserine	Anserine	ME552096	-	-	-	-
Arg	Arginine	ME552070	-	-	-	-
Asn	Asparagine	ME552071	-	-	-	-
Asp	Aspartic acid	ME552072	-	-	-	-
BABA	3-Aminobutyric acid	ME552097	-	-	-	-
beta-Ala	beta-Alanine	ME552119	-	-	-	-
Betaine	Betaine	ME552098	-	-	-	-
c4-OH-Pro	cis-4-Hydroxyproline	ME552099	-	-	-	-
Carnosine	Carnosine	ME552100	-	-	-	-
Cit	Citric acid	ME552101	-	-	-	-
Creatinine	Creatinine	ME552102	-	-	-	-
Cys	Cysteine	ME552073	-	-	-	-
Cystine	Cystine	ME552103	-	-	-	-
DOPA	DOPA	ME552104	-	-	-	-
Dopamine	Dopamine	ME552120	-	-	-	-
GABA	gamma-Aminobutyric acid	ME552121	-	-	-	-
Gln	Glutamine	ME552074	-	-	-	-
Glu	Glutamic acid	ME552075	-	-	-	-
Gly	Glycine	ME552076	-	-	-	-
HArg	Homoarginine	ME552105	-	-	-	-
HCys	Homocysteine	ME552106	-	-	-	-
His	Histidine	ME552077	-	-	-	-
Histamine	Histamine	ME552122	-	-	-	-
Ile	Isoleucine	ME552078	-	-	-	-
Kynurenine	Kynurenine	ME552107	-	-	-	-
Leu	Leucine	ME552079	-	-	-	-
Lys	Lysine	ME552080	-	-	-	-
Met	Methionine	ME552081	-	-	-	-
Met-SO	Methionine sulfoxide	ME552108	-	-	-	-
Nitro-Tyr	Nitrotyrosine	ME552109	-	-	-	-
Orn	Ornithine	ME552110	-	-	-	-
PAG	Phenylacetylglycine	ME552111	-	-	-	-
PEA	Palmitoyl-EA	ME552123	-	-	-	-
Phe	Phenylalanine	ME552082	-	-	-	-
PheAlaBetaine	Phenylalanine betaine	ME552112	-	-	-	-
Pro	Proline	ME552083	-	-	-	-
ProBetaine	Proline betaine	ME552113	-	-	-	-
Putrescine	Putrescine	ME552124	-	-	-	-
Sarcosine	Sarcosine	ME552114	-	-	-	-
SDMA	Symmetric dimethylarginine	ME552115	-	-	-	-
Ser	Serine	ME552084	-	-	-	-
Serotonin	Serotonin	ME552125	-	-	-	-
Spermidine	Spermidine	ME552126	-	-	-	-
Spermine	Spermine	ME552127	-	-	-	-
t4-OH-Pro	trans-4-Hydroxyproline	ME552116	-	-	-	-
Taurine	Taurine	ME552117	-	-	-	-
Thr	Threonine	ME552085	-	-	-	-
TMAO	Trimethylamine N-oxide	ME552068	-	-	-	-
Trigonelline	Trigonelline	ME552067	-	-	-	-
Trp	Tryptophan	ME552086	-	-	-	-
TrpBetaine	Lenticin	ME552118	-	-	-	-
Tyr	Tyrosine	ME552087	-	-	-	-
Val	Valine	ME552088	-	-	-	-

Analysis: Reversed phase NEGATIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
AconAcid	cis-Aconitic acid	ME552142	-	-	-	-
CA	Cholic acid	ME552128	-	-	-	-
CDCA	Chenodeoxycholic acid	ME552129	-	-	-	-
DCA	Deoxycholic acid	ME552130	-	-	-	-
DiCA(12:0)	Dodecanedioic acid	ME552143	-	-	-	-
DiCA(14:0)	Tetradecanedioic acid	ME552144	-	-	-	-
GCA	Glycocholic acid	ME552131	-	-	-	-
GCDCA	Glycochenodeoxycholic acid	ME552132	-	-	-	-
GDCA	Glycodeoxycholic acid	ME552133	-	-	-	-
GLCA	Glycolithocholic acid	ME552134	-	-	-	-
GLCAS	Sulfoglycolithocholic acid	ME552135	-	-	-	-
GUDCA	Glycoursodeoxycholic acid	ME552136	-	-	-	-
HipAcid	Hippuric acid	ME552145	-	-	-	-
Lac	Lactic acid	ME552146	-	-	-	-
OH-GlutAcid	3-Hydroxyglutaric acid	ME552147	-	-	-	-
Suc	Succinic acid	ME552148	-	-	-	-
TCA	Taurocholic acid	ME552137	-	-	-	-
TCDCA	Taurochenodeoxycholic acid	ME552138	-	-	-	-
TDCA	Taurodeoxycholic acid	ME552139	-	-	-	-
TLCA	Taurolithocholic acid	ME552140	-	-	-	-
TMCA	Tauromuricholic acid	ME552141	-	-	-	-