Metabolomics Workbench : NIH Data Repository : Analyze Studies

Analysis: HILIC POSITIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
1-methylnicotinamide	1-Methyl nicotinamide	ME272357	-	-	-	-
anthranilic acid	2-Aminobenzoic acid	ME272333	-	-	-	-
butyrobetaine	3-Dehydroxycarnitine	ME272358	-	-	-	-
5-HIAA	5-Hydroxyindoleacetic acid	ME272324	-	-	-	-
acetylcholine	Acetylcholine	ME272343	-	-	-	-
adenosine	Adenosine	ME272349	-	-	-	-
alanine	Alanine	ME272302	-	-	-	-
allantoin	Allantoin	ME272332	-	-	-	-
anserine	Anserine	ME272377	-	-	-	-
arginine	Arginine	ME272311	-	-	-	-
asparagine	Asparagine	ME272308	-	-	-	-
aspartate	Aspartic acid	ME272306	-	-	-	-
beta-alanine	beta-Alanine	ME272376	-	-	-	-
betaine	Betaine	ME272340	-	-	-	-
lauroylcarnitine	CAR 12:0	ME272369	-	-	-	-
myristoylcarnitine	CAR 14:0	ME272370	-	-	-	-
palmitoylcarnitine	CAR 16:0	ME272371	-	-	-	-
stearoylcarnitine	CAR 18:0	ME272372	-	-	-	-
oleylcarnitine	CAR 18:1	ME272373	-	-	-	-
acetylcarnitine	CAR 2:0	ME272362	-	-	-	-
arachidonyl_carnitine	CAR 20:4	ME272374	-	-	-	-
propionylcarnitine	CAR 3:0	ME272363	-	-	-	-
butyrylcarnitine/isobutyrylcarnitine	CAR 4:0	ME272365	-	-	-	-
valerylcarnitine/isovalerylcarnitine/2-methylbutyr...	CAR 5:0	ME272366	-	-	-	-
hexanoylcarnitine	CAR 6:0	ME272367	-	-	-	-
heptanoylcarnitine	CAR 7:0	ME272368	-	-	-	-
malonylcarnitine	CAR DC3:0	ME272364	-	-	-	-
carnitine	Carnitine	ME272361	-	-	-	-
carnosine	Carnosine	ME272336	-	-	-	-
choline	Choline	ME272341	-	-	-	-
citrulline	Citrulline	ME272322	-	-	-	-
cotinine	Cotinine	ME272354	-	-	-	-
creatine	Creatine	ME272344	-	-	-	-
creatinine	Creatinine	ME272345	-	-	-	-
2-deoxyadenosine	Deoxyadenosine	ME272352	-	-	-	-
2-deoxycytidine	Deoxycytidine	ME272353	-	-	-	-
dimethylglycine	Dimethylglycine	ME272328	-	-	-	-
GABA	gamma-Aminobutyric acid	ME272326	-	-	-	-
glutamate	Glutamic acid	ME272307	-	-	-	-
glutamine	Glutamine	ME272309	-	-	-	-
glycine	Glycine	ME272301	-	-	-	-
histidine	Histidine	ME272310	-	-	-	-
homocysteine	Homocysteine	ME272329	-	-	-	-
isoleucine	Isoleucine	ME272315	-	-	-	-
kynurenic acid	Kynurenic acid	ME272334	-	-	-	-
leucine	Leucine	ME272314	-	-	-	-
lysine	Lysine	ME272312	-	-	-	-
methionine	Methionine	ME272305	-	-	-	-
methionine sulfoxide	Methionine sulfoxide	ME272360	-	-	-	-
acetylglycine	N-Acetylglycine	ME272327	-	-	-	-
niacinamide	Niacinamide	ME272339	-	-	-	-
ornithine	Ornithine	ME272321	-	-	-	-
phenylalanine	Phenylalanine	ME272316	-	-	-	-
pipecolic acid	Pipecolic acid	ME272355	-	-	-	-
proline	Proline	ME272319	-	-	-	-
putrescine	Putrescine	ME272359	-	-	-	-
pyroglutamic acid	Pyroglutamic acid	ME272356	-	-	-	-
sarcosine	Sarcosine	ME272375	-	-	-	-
serine	Serine	ME272303	-	-	-	-
serotonin	Serotonin	ME272325	-	-	-	-
alpha-glycerophosphocholine	sn-Glycero-3-phosphocholine	ME272342	-	-	-	-
NMMA	Targinine	ME272331	-	-	-	-
taurine	Taurine	ME272323	-	-	-	-
thiamine	Thiamine	ME272338	-	-	-	-
threonine	Threonine	ME272304	-	-	-	-
thymidine	Thymidine	ME272350	-	-	-	-
thyroxine	Thyroxine	ME272346	-	-	-	-
trimethylamine-N-oxide	Trimethylamine N-oxide	ME272347	-	-	-	-
tryptophan	Tryptophan	ME272318	-	-	-	-
tyrosine	Tyrosine	ME272317	-	-	-	-
N-carbamoyl-beta-alanine	Ureidopropionic acid	ME272337	-	-	-	-
valine	Valine	ME272313	-	-	-	-
xanthosine	Xanthosine	ME272351	-	-	-	-
5-adenosylhomocysteine	-	ME272335	-	-	-	-
cis/trans-hydroxyproline	-	ME272320	-	-	-	-
hexoses (HILIC pos)	-	ME272348	-	-	-	-
SDMA/ADMA	-	ME272330	-	-	-	-

Analysis: HILIC NEGATIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
alpha-hydroxybutyrate	2-Hydroxybutyric acid	ME272433	-	-	-	-
2-hydroxyglutarate	2-Hydroxyglutaric acid	ME272434	-	-	-	-
alpha-ketoglutarate	2-Oxoglutaric acid	ME272385	-	-	-	-
cAMP	3',5' cyclic AMP	ME272387	-	-	-	-
3-phosphoglycerate	3-Phosphoglyceric acid	ME272379	-	-	-	-
4-pyridoxate	4-Pyridoxic acid	ME272381	-	-	-	-
6-phosphogluconate	6-Phosphogluconic acid	ME272432	-	-	-	-
adenine	Adenine	ME272383	-	-	-	-
adipate	Adipic acid	ME272384	-	-	-	-
2-aminoadipate	alpha-Aminoadipic acid	ME272378	-	-	-	-
AMP	AMP	ME272386	-	-	-	-
citrate	Citric acid	ME272388	-	-	-	-
CMP	CMP	ME272390	-	-	-	-
cystathionine	Cystathionine	ME272391	-	-	-	-
cytidine	Cytidine	ME272392	-	-	-	-
dCMP	dCMP	ME272393	-	-	-	-
DHAP/glyceraldehyde 3P	Dihydroxyacetone phosphate	ME272394	-	-	-	-
erythrose-4-phosphate	Erythrose 4-phosphate	ME272395	-	-	-	-
glucuronate	Glucuronic acid	ME272399	-	-	-	-
glutathione oxidized	Glutathione	ME272400	-	-	-	-
glutathione reduced	Glutathione	ME272401	-	-	-	-
glycodeoxycholate/glycochenodeoxycholate	Glycodeoxycholic acid	ME272428	-	-	-	-
GMP	GMP	ME272402	-	-	-	-
guanosine	Guanosine	ME272403	-	-	-	-
hippurate	Hippuric acid	ME272404	-	-	-	-
hypoxanthine	Hypoxanthine	ME272405	-	-	-	-
inosine	Inosine	ME272406	-	-	-	-
inositol	Inositol	ME272435	-	-	-	-
isocitrate	Isocitric acid	ME272389	-	-	-	-
kynurenine	Kynurenine	ME272407	-	-	-	-
lactate	Lactic acid	ME272408	-	-	-	-
lactose	Lactose	ME272409	-	-	-	-
malate	Malic acid	ME272410	-	-	-	-
malondialdehyde	Malondialdehyde	ME272436	-	-	-	-
NAD	NAD+	ME272411	-	-	-	-
NADP	NADP+	ME272412	-	-	-	-
oxalate	Oxalic acid	ME272413	-	-	-	-
pantothenate	Pantothenic acid	ME272414	-	-	-	-
phosphocreatine	Phosphocreatine	ME272430	-	-	-	-
PEP	Phosphoenolpyruvic acid	ME272415	-	-	-	-
alpha-glycerophosphate	sn-Glycero-3-phosphate	ME272380	-	-	-	-
sorbitol	Sorbitol	ME272417	-	-	-	-
sucrose	Sucrose	ME272419	-	-	-	-
taurocholate	Taurocholic acid	ME272427	-	-	-	-
thymine	Thymine	ME272420	-	-	-	-
aconitate	trans-Aconitic acid	ME272382	-	-	-	-
UDP-galactose/UDP-glucose	UDP-glucose	ME272422	-	-	-	-
UMP	UMP	ME272421	-	-	-	-
uracil	Uracil	ME272423	-	-	-	-
urate	Uric acid	ME272424	-	-	-	-
uridine	Uridine	ME272425	-	-	-	-
xanthine	Xanthine	ME272426	-	-	-	-
3-methyladipate/pimelate	-	ME272431	-	-	-	-
F1P/F6P/G1P/G6P	-	ME272396	-	-	-	-
fumarate/maleate/alpha-ketoisovalerate	-	ME272398	-	-	-	-
hexoses (HILIC neg)	-	ME272397	-	-	-	-
ribose-5-P/ribulose5-P	-	ME272416	-	-	-	-
succinate/methylmalonate	-	ME272418	-	-	-	-
taurodeoxycholate/taurochenodeoxycholate	-	ME272429	-	-	-	-

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
C14:0 CE	CE 14:0	ME272482	-	-	-	-
C16:0 CE	CE 16:0	ME272484	-	-	-	-
C16:1 CE	CE 16:1	ME272483	-	-	-	-
C18:0 CE	CE 18:0	ME272488	-	-	-	-
C18:1 CE	CE 18:1	ME272487	-	-	-	-
C18:2 CE	CE 18:2	ME272486	-	-	-	-
C18:3 CE	CE 18:3	ME272485	-	-	-	-
C20:3 CE	CE 20:3	ME272491	-	-	-	-
C20:4 CE	CE 20:4	ME272490	-	-	-	-
C20:5 CE	CE 20:5	ME272489	-	-	-	-
C22:6 CE	CE 22:6	ME272492	-	-	-	-
C34:1 DAG	DG 34:1	ME272479	-	-	-	-
C34:2 DAG	DG 34:2	ME272478	-	-	-	-
C36:1 DAG	DG 36:1	ME272481	-	-	-	-
C36:2 DAG	DG 36:2	ME272480	-	-	-	-
C14:0 LPC	LPC 14:0	ME272437	-	-	-	-
C16:0 LPC	LPC 16:0	ME272439	-	-	-	-
C16:1 LPC	LPC 16:1	ME272438	-	-	-	-
C18:0 LPC	LPC 18:0	ME272442	-	-	-	-
C18:1 LPC	LPC 18:1	ME272441	-	-	-	-
C18:2 LPC	LPC 18:2	ME272440	-	-	-	-
C20:3 LPC	LPC 20:3	ME272444	-	-	-	-
C20:4 LPC	LPC 20:4	ME272443	-	-	-	-
C22:6 LPC	LPC 22:6	ME272445	-	-	-	-
C16:0 LPE	LPE 16:0	ME272446	-	-	-	-
C18:0 LPE	LPE 18:0	ME272448	-	-	-	-
C18:1 LPE	LPE 18:1	ME272447	-	-	-	-
C20:4 LPE	LPE 20:4	ME272449	-	-	-	-
C22:6 LPE	LPE 22:6	ME272450	-	-	-	-
C32:0 PC	PC 32:0	ME272453	-	-	-	-
C32:1 PC	PC 32:1	ME272452	-	-	-	-
C32:2 PC	PC 32:2	ME272451	-	-	-	-
C34:1 PC	PC 34:1	ME272457	-	-	-	-
C34:2 PC	PC 34:2	ME272456	-	-	-	-
C34:3 PC	PC 34:3	ME272455	-	-	-	-
C34:4 PC	PC 34:4	ME272454	-	-	-	-
C36:1 PC	PC 36:1	ME272462	-	-	-	-
C36:2 PC	PC 36:2	ME272461	-	-	-	-
C36:3 PC	PC 36:3	ME272460	-	-	-	-
C36:4 PC-A	PC 36:4	ME272458	-	-	-	-
C36:4 PC-B	PC 36:4	ME272459	-	-	-	-
C38:2 PC	PC 38:2	ME272466	-	-	-	-
C38:4 PC	PC 38:4	ME272465	-	-	-	-
C38:5 PC	PC 38:5	ME272464	-	-	-	-
C38:6 PC	PC 38:6	ME272463	-	-	-	-
C40:6 PC	PC 40:6	ME272467	-	-	-	-
C14:0 SM	SM 18:1;O2/14:0	ME272468	-	-	-	-
C16:0 SM	SM 18:1;O2/16:0	ME272470	-	-	-	-
C16:1 SM	SM 18:1;O2/16:1	ME272469	-	-	-	-
C18:0 SM	SM 18:1;O2/18:0	ME272473	-	-	-	-
C18:1 SM	SM 18:1;O2/18:1	ME272472	-	-	-	-
C18:2 SM	SM 18:1;O2/18:2	ME272471	-	-	-	-
C22:0 SM	SM 18:1;O2/22:0	ME272475	-	-	-	-
C22:1 SM	SM 18:1;O2/22:1	ME272474	-	-	-	-
C24:0 SM	SM 18:1;O2/24:0	ME272477	-	-	-	-
C24:1 SM	SM 18:1;O2/24:1	ME272476	-	-	-	-
C46:0 TAG	TG 46:0	ME272495	-	-	-	-
C46:1 TAG	TG 46:1	ME272494	-	-	-	-
C46:2 TAG	TG 46:2	ME272493	-	-	-	-
C48:0 TAG	TG 48:0	ME272499	-	-	-	-
C48:1 TAG	TG 48:1	ME272498	-	-	-	-
C48:2 TAG	TG 48:2	ME272497	-	-	-	-
C48:3 TAG	TG 48:3	ME272496	-	-	-	-
C50:0 TAG	TG 50:0	ME272503	-	-	-	-
C50:1 TAG	TG 50:1	ME272502	-	-	-	-
C50:2 TAG	TG 50:2	ME272501	-	-	-	-
C50:3 TAG	TG 50:3	ME272500	-	-	-	-
C52:1 TAG	TG 52:1	ME272508	-	-	-	-
C52:2 TAG	TG 52:2	ME272507	-	-	-	-
C52:3 TAG	TG 52:3	ME272506	-	-	-	-
C52:4 TAG	TG 52:4	ME272505	-	-	-	-
C52:5 TAG	TG 52:5	ME272504	-	-	-	-
C54:1 TAG	TG 54:1	ME272515	-	-	-	-
C54:2 TAG	TG 54:2	ME272514	-	-	-	-
C54:3 TAG	TG 54:3	ME272513	-	-	-	-
C54:4 TAG	TG 54:4	ME272512	-	-	-	-
C54:5 TAG	TG 54:5	ME272511	-	-	-	-
C54:6 TAG	TG 54:6	ME272510	-	-	-	-
C54:7 TAG	TG 54:7	ME272509	-	-	-	-
C56:2 TAG	TG 56:2	ME272522	-	-	-	-
C56:3 TAG	TG 56:3	ME272521	-	-	-	-
C56:4 TAG	TG 56:4	ME272520	-	-	-	-
C56:5 TAG	TG 56:5	ME272519	-	-	-	-
C56:6 TAG	TG 56:6	ME272518	-	-	-	-
C56:7 TAG	TG 56:7	ME272517	-	-	-	-
C56:8 TAG	TG 56:8	ME272516	-	-	-	-
C58:6 TAG	TG 58:6	ME272525	-	-	-	-
C58:7 TAG	TG 58:7	ME272524	-	-	-	-
C58:8 TAG	TG 58:8	ME272523	-	-	-	-