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-methyl-4-imidazoleacetate	Methylimidazoleacetic acid	ME404331	75810	C05828	2064	-
1-methylguanidine	Methylguanidine	ME404332	10111	C02294	2149	-
1-methylhistidine	1-Methylhistidine	ME404333	92105	C01152	2755	-
1-methylnicotinamide	1-Methyl nicotinamide	ME404334	10129985	C02918	1940	-
1-ribosyl-imidazoleacetate	Imidazoleacetic acid riboside	ME404335	5117448	C05131	2006	-
2-aminoheptanoate	2-Aminoheptanoic acid	ME404339	227939	-	3160	-
2'-deoxycytidine	Deoxycytidine	ME404336	13711	C00881	2193	-
2'-deoxycytidine 5'-monophosphate	dCMP	ME404337	13945	C00239	975	-
2-methylbutyrylcarnitine (C5)	CAR 4:0;2Me	ME404340	6426901	-	3035	-
2-methylserine	2-Methylserine	ME404341	94309	C02115	1652	-
2'-O-methylcytidine	2'-O-Methylcytidine	ME404338	150971	-	2411	-
2-oxoarginine	2-Oxoarginine	ME404342	558	C03771	1760	-
3-aminoisobutyrate	3-Aminoisobutanoic acid	ME404343	64956	C05145	2190	-
3-hydroxybutyrylcarnitine (1)	CAR 4:0;3OH	ME404344	53481617	-	2400	-
3-hydroxybutyrylcarnitine (2)	CAR 4:0;3OH	ME404345	-	-	2340	-
3-hydroxyindolin-2-one	3-Hydroxyindolin-2-one	ME404346	6097	C11130	2035	-
3-methoxytyrosine	3-Methoxytyrosine	ME404347	1670	-	2555	-
3-methylcytidine	3-Methylcytidine	ME404348	159649	-	2176	-
3-methylhistidine	3-Methylhistidine	ME404349	64969	C01152	2670	-
3-ureidopropionate	Ureidopropionic acid	ME404350	111	C02642	875	-
4-guanidinobutanoate	4-Guanidinobutanoic acid	ME404351	500	C01035	2320	-
4-imidazoleacetate	Imidazoleacetic acid	ME404352	96215	C02835	2055	-
5-aminovalerate	5-Aminopentanoic acid	ME404354	138	C00431	2220	-
5-(galactosylhydroxy)-L-lysine	5-(Galactosylhydroxy)-lysine	ME404353	-	-	2755	-
5-methyl-2'-deoxycytidine	5-Methyl-2'-deoxycytidine	ME404355	440055	C03592	2303	-
5-methylcytidine	5-Methylcytidine	ME404356	92918	-	2227	-
5-methylthioadenosine (MTA)	5'-Methylthioadenosine	ME404357	439176	C00170	2752	-
7-methylguanine	7-Methylguanine	ME404358	11361	C02242	2175	-
acetylcarnitine (C2)	CAR 2:0	ME404359	1	C02571	2282	-
acetylcholine	Acetylcholine	ME404360	-	C01996	2220	-
adenine	Adenine	ME404361	190	C00147	2221	-
adenosine	Adenosine	ME404362	60961	C00212	2169	-
adenosine 5'-monophosphate (AMP)	AMP	ME404363	6083	C00020	1013	-
AICA ribonucleotide	AICAR	ME404364	65110	C04677	797	-
alanine	Alanine	ME404365	5950	C00041	1700	-
alanylglycine	Ala-Gly	ME404366	79094	-	1997	-
alanylserine	Ala-Ser	ME404367	96821	-	1885	-
argininate	Argininic acid	ME404368	160437	-	2150	-
arginine	Arginine	ME404369	232	C00062	2825	-
argininosuccinate	Argininosuccinic acid	ME404370	828	C03406	2745	-
asparagine	Asparagine	ME404371	6267	C00152	1225	-
asparaginylalanine	Asn-Ala	ME404372	-	-	2067	-
asparaginylglutamate	Asn-Glu	ME404373	-	-	1981	-
aspartate	Aspartic acid	ME404374	5960	C00049	1165	-
aspartylaspartate	Asp-Asp	ME404375	332965	-	1815	-
aspartylglycine	Asp-Gly	ME404376	-	-	1828	-
betaine	Betaine	ME404377	247	C00719	1064	-
betaine aldehyde	Betaine aldehyde	ME404378	249	C00576	1915	-
betonicine	Betonicine	ME404379	164642	C08269	1012	-
butyrylcarnitine (C4)	CAR 4:0	ME404380	439829	C02862	2860	-
carboxyethyl-GABA	N-Carboxyethyl-gamma-aminobutyric acid	ME404381	2572	-	2085	-
carnitine	Carnitine	ME404382	10917	C00318	1978	-
carnosine	Carnosine	ME404383	439224	C00386	2942	-
choline	Choline	ME404384	305	C00114	1961	-
choline phosphate	Choline phosphate	ME404385	1014	C00588	700	-
citrulline	Citrulline	ME404386	9750	C00327	1520	-
creatine	Creatine	ME404387	586	C00300	1947	-
creatinine	Creatinine	ME404388	588	C00791	2055	-
cystathionine	Cystathionine	ME404389	439258	C02291	2270	-
cysteine	Cysteine	ME404390	5862	C00097	1488	-
cysteine-glutathione disulfide	S-Glutathionyl-cysteine	ME404392	4247235	-	2465	-
cysteine sulfinic acid	3-Sulfino-alanine	ME404391	109	C00606	597	-
cysteinylglycine	Cys-Gly	ME404393	439498	C01419	2132	-
cysteinylglycine disulfide	Cysteinylglycine disulfide	ME404394	-	-	2547	-
cystine	Cystine	ME404395	67678	C00491	2000	-
cytidine	Cytidine	ME404396	6175	C00475	2124	-
cytidine 5'-monophosphate (5'-CMP)	CMP	ME404397	6131	C00055	835	-
cytosine	Cytosine	ME404398	597	C00380	2060	-
deoxycarnitine	3-Dehydroxycarnitine	ME404399	134	C01181	2052	-
dimethylarginine (SDMA + ADMA)	Dimethylarginine	ME404400	123831	C03626	2850	-
dimethylglycine	Dimethylglycine	ME404401	673	C01026	1104	-
ergothioneine	Ergothioneine	ME404402	3032311	C05570	850	-
formiminoglutamate	Formiminoglutamic acid	ME404403	439233	C00439	1880	-
gamma-aminobutyrate (GABA)	gamma-Aminobutyric acid	ME404404	119	C00334	2048	-
gamma-glutamyl-2-aminobutyrate	gamma-Glutamyl-2-aminobutanoate	ME404405	-	-	2380	-
gamma-glutamyl-alpha-lysine	gamma-Glutamyllysine	ME404406	65254	-	2784	-
gamma-glutamylglutamate	gamma-Glutamylglutamic acid	ME404407	92865	C05282	1775	-
gamma-glutamylglutamine	gamma-Glutamylglutamine	ME404408	150914	C05283	1430	-
gamma-glutamylglycine	gamma-Glutamylglycine	ME404409	165527	-	1535	-
gamma-glutamylhistidine	gamma-Glutamylhistidine	ME404410	7017195	-	2740	-
gamma-glutamylleucine	gamma-Glutamylleucine	ME404411	151023	-	2991	-
gamma-glutamylmethionine	gamma-Glutamylmethionine	ME404412	7009567	-	2640	-
gamma-glutamylphenylalanine	gamma-Glutamylphenylalanine	ME404413	111299	-	2992	-
gamma-glutamylthreonine	gamma-Glutamylthreonine	ME404414	76078708	-	1750	-
gamma-glutamylvaline	gamma-Glutamylvaline	ME404415	7015683	-	2700	-
glutamate	Glutamic acid	ME404416	611	C00025	1500	-
glutamate, gamma-methyl ester	Glutamic acid, gamma-methyl ester	ME404417	68662	-	2170	-
glutamine	Glutamine	ME404418	5961	C00064	1291	-
glutaminylglutamate	Gln-Glu	ME404419	-	-	1997	-
glutarylcarnitine (C5-DC)	CAR DC5:0	ME404420	71464488	-	2393	-
glutathione, oxidized (GSSG)	Oxidized glutathione	ME404421	65359	C00127	2667	-
glutathione, reduced (GSH)	Glutathione	ME404422	124886	C00051	2000	-
glycerol 3-phosphate	sn-Glycero-3-phosphate	ME404423	754	C00093	580	-
glycerophosphoethanolamine	sn-Glycero-3-phosphoethanolamine	ME404424	123874	C01233	659	-
glycerophosphoglycerol	sn-Glycero-3-phosphoglycerol	ME404425	439964	C03274	520	-
glycerophosphoinositol	sn-Glycero-3-phosphoinositol	ME404426	167572	-	516	-
glycerophosphorylcholine (GPC)	sn-Glycero-3-phosphocholine	ME404427	71920	C00670	672	-
glycerophosphoserine	sn-Glycero-3-phosphoserine	ME404428	3081457	-	577	-
glycine	Glycine	ME404429	750	C00037	1375	-
glycylalanine	Gly-Ala	ME404430	98153	-	2143	-
glycylglycine	Gly-Gly	ME404431	11163	C02037	1881	-
glycylhistidine	Gly-His	ME404432	417360	-	2934	-
guanidinoacetate	Guanidoacetic acid	ME404433	763	C00581	1937	-
guanine	Guanine	ME404434	764	C00242	2032	-
guanosine 5'- monophosphate (5'-GMP)	GMP	ME404435	6804	C00144	800	-
hexanoylcarnitine (C6)	CAR 6:0	ME404436	6426853	-	3308	-
histidylglutamate	His-Glu	ME404437	9838731	-	2961	-
histidylglycine	His-Gly	ME404438	351662	-	2970	-
homoarginine	Homoarginine	ME404439	9085	C01924	2882	-
homocarnosine	Homocarnosine	ME404440	10243361	C00884	2960	-
homocitrulline	Homocitrulline	ME404441	65072	C02427	1908	-
homostachydrine	(S)-Homostachydrine	ME404442	441447	C08283	1750	-
hypotaurine	Hypotaurine	ME404443	107812	C00519	724	-
imidazole lactate	Imidazolelactic acid	ME404444	440129	C05568	2040	-
imidazole propionate	Imidazole propanoate	ME404445	70630	-	2263	-
isobutyrylcarnitine (C4)	CAR 3:0;2Me	ME404446	168379	-	2810	-
isoleucine	Isoleucine	ME404447	6306	C00407	2800	-
isovalerylcarnitine (C5)	CAR 4:0;3Me	ME404448	6426851	-	3085	-
kynurenine	Kynurenine	ME404449	161166	C00328	2739	-
lanthionine	Lanthionine	ME404450	98504	-	1730	-
leucine	Leucine	ME404451	6106	C00123	2864	-
leucylproline	Leu-Pro	ME404452	80817	-	2971	-
leucylserine	Leu-Ser	ME404453	3621685	-	2643	-
lysine	Lysine	ME404454	5962	C00047	2850	-
malonylcarnitine	CAR DC3:0	ME404455	22833583	-	2086	-
methionine	Methionine	ME404456	6137	C00073	2526	-
methionine sulfoxide	Methionine sulfoxide	ME404457	158980	C02989	1272	-
methionylaspartate	Met-Asp	ME404458	-	-	2431	-
methyl glucopyranoside (alpha + beta)	Methyl glucose	ME404459	-	-	832	-
N1-Methyl-4-pyridone-3-carboxamide	N1-Methyl-4-pyridone-3-carboxamide	ME404480	440810	C05843	1260	-
N1-methyladenosine	1-Methyladenosine	ME404481	27476	C02494	2120	-
N1-methylinosine	1-Methylinosine	ME404482	65095	-	1430	-
(N(1) + N(8))-acetylspermidine	Asparagine	ME404330	-	-	3080	-
N2,N2-dimethylguanosine	N2,N2-Dimethylguanosine	ME404483	92919	-	2210	-
N4-acetylcytidine	N4-Acetylcytidine	ME404484	107461	-	1580	-
N6-carboxymethyllysine	N(6)-Carboxymethyl-lysine	ME404486	123800	-	2500	-
N6-methyladenosine	N6-Methyladenosine	ME404487	1869	-	2264	-
N6,N6,N6-trimethyllysine	N-6-Trimethyllysine	ME404485	440120	C03793	2825	-
N-acetyl-1-methylhistidine	N-Acetyl-3-methylhistidine	ME404460	193270	-	2100	-
N-acetylarginine	N-Acetylarginine	ME404462	67427	C02562	2245	-
N-acetylasparagine	N-Acetylasparagine	ME404463	99715	-	785	-
N-acetyl-aspartyl-glutamate (NAAG)	N-Acetyl-Asp-Glu	ME404461	5255	C12270	1035	-
N-acetylcitrulline	N-Acetylcitrulline	ME404464	656979	C15532	1010	-
N-acetylglucosamine/N-acetylgalactosamine	N-Acetylhexosamine	ME404465	24139	-	715	-
N-acetylglucosaminylasparagine	Aspartylglycosamine	ME404466	123826	C04540	1212	-
N-acetylglutamate	N-Acetylglutamic acid	ME404467	70914	C00624	1050	-
N-acetylglutamine	N-Acetylglutamine	ME404468	182230	C02716	845	-
N-acetylhistidine	N-Acetylhistidine	ME404469	75619	C02997	2065	-
N-acetylkynurenine (2)	N-Acetylkynurenine	ME404470	-	-	2364	-
N-acetylmethionine sulfoxide	N-Acetylmethionine sulfoxide	ME404471	193368	-	880	-
N-acetylneuraminate	N-Acetylneuraminic acid	ME404472	439197	C00270	660	-
N-acetylputrescine	N-Acetylputrescine	ME404473	122356	C02714	2230	-
N-acetylserine	N-Acetylserine	ME404474	65249	-	800	-
N-delta-acetylornithine	N(5)-Acetyl-ornithine	ME404475	9920500	-	1877	-
nicotinamide	Niacinamide	ME404488	936	C00153	1942	-
nicotinamide riboside	Nicotinamide riboside	ME404489	439924	C03150	2040	-
N-methylalanine	N-Methylalanine	ME404477	5288725	C02721	1536	-
N-methyl-GABA	4-(Methylamino)butyric acid	ME404476	70703	C15987	2109	-
N-monomethylarginine	Targinine	ME404478	132862	C03884	2845	-
N-trimethyl 5-aminovalerate	-	ME404479	-	-	2186	-
ophthalmate	Ophthalmic acid	ME404491	7018721	-	2085	-
ornithine	Ornithine	ME404492	6262	C00077	2800	-
o-Tyrosine	o-Tyrosine	ME404490	91482	-	2772	-
pantothenate	Pantothenic acid	ME404493	6613	C00864	1667	-
phenylalanine	Phenylalanine	ME404494	6140	C00079	2878	-
pipecolate	Pipecolic acid	ME404495	849	C00408	2200	-
proline	Proline	ME404496	145742	C00148	1603	-
prolylalanine	Pro-Ala	ME404497	418041	-	2290	-
prolylglutamate	Pro-Glu	ME404498	3563697	-	2190	-
prolylglycine	Pro-Gly	ME404499	6426709	-	2136	-
prolylproline	Pro-Pro	ME404500	11622593	-	2475	-
propionylcarnitine (C3)	CAR 3:0	ME404501	107738	C03017	2590	-
pseudouridine	Pseudouridine	ME404502	15047	C02067	800	-
putrescine	Putrescine	ME404503	1045	C00134	3027	-
pyridoxal	Pyridoxal	ME404504	1050	C00250	2343	-
pyridoxamine	Pyridoxamine	ME404505	1052	C00534	2975	-
pyridoxamine phosphate	Pyridoxamine 5'-phosphate	ME404506	1053	C00647	1932	-
pyroglutamine	Pyroglutamine	ME404507	134508	-	1900	-
S-1-pyrroline-5-carboxylate	1-Pyrroline-5-carboxylic acid	ME404508	1196	C04322	1528	-
saccharopine	Saccharopine	ME404513	160556	C00449	2530	-
S-adenosylmethionine (SAM)	S-Adenosylmethionine	ME404509	34756	C00019	3002	-
serine	Serine	ME404514	5951	C00065	1239	-
serylglutamate	Ser-Glu	ME404515	3613616	-	2022	-
serylserine	Ser-Ser	ME404516	138784	-	1762	-
S-lactoylglutathione	S-Lactoylglutathione	ME404510	440018	C03451	2124	-
S-methylcysteine	Methylcysteine	ME404511	24417	-	1955	-
S-methylglutathione	S-Methylglutathione	ME404512	3605667	C11347	2200	-
spermidine	Spermidine	ME404517	1102	C00315	3355	-
stachydrine	Stachydrine	ME404518	115244	C10172	1440	-
succinate	Succinic acid	ME404519	1110	C00042	1150	-
succinylcarnitine (C4-DC)	CAR DC4:0	ME404520	71464481	-	2291	-
taurine	Taurine	ME404521	1123	C00245	660	-
taurocyamine	Taurocyamine	ME404522	68340	C01959	710	-
thiamin monophosphate	Thiamine monophosphate	ME404524	3382778	C01081	2378	-
thiamin (Vitamin B1)	Thiamine	ME404523	1130	C00378	3050	-
thioproline	Thioproline	ME404525	93176	-	1250	-
threonine	Threonine	ME404526	6288	C00188	1514	-
threonylisoleucine	Thr-Ile	ME404527	-	-	2996	-
trans-4-hydroxyproline	trans-4-Hydroxyproline	ME404528	5810	C01157	1064	-
trigonelline (N'-methylnicotinate)	Trigonelline	ME404529	5570	C01004	1388	-
trimethylamine N-oxide	Trimethylamine N-oxide	ME404530	1145	C01104	2100	-
tryptophan	Tryptophan	ME404531	6305	C00078	2986	-
tyrosine	Tyrosine	ME404532	6057	C00082	2430	-
urea	Urea	ME404533	1176	C00086	700	-
uridine 5'-monophosphate (UMP)	UMP	ME404534	6030	C00105	590	-
valine	Valine	ME404535	6287	C00183	2479	-
xanthine	Xanthine	ME404536	1188	C00385	1032	-

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
4-cholesten-3-one	Cholestenone	ME404537	91477	C00599	2520	-
7-hydroxycholesterol (alpha or beta)	7beta-Hydroxycholesterol	ME404538	107722	-	1930	-
adrenoylcarnitine (C22:4)	CAR 22:4	ME404539	-	-	1415	-
alpha-tocopherol	alpha-Tocopherol	ME404540	14985	C02477	2522	-
arachidonoylcarnitine (C20:4)	CAR 20:4	ME404542	-	-	1353	-
arachidonoyl ethanolamide	Arachidonoyl-EA	ME404541	5281969	C11695	1535	-
arachidoylcarnitine (C20)	CAR 20:0	ME404543	-	-	1512	-
behenoylcarnitine (C22)	CAR 22:0	ME404544	-	-	1561	-
beta-sitosterol	Sitosterol	ME404545	222284	C01753	3054	-
campesterol	Campesterol	ME404546	173183	C01789	2873	-
cholesterol	Cholesterol	ME404547	11025495	C00187	2707	-
desmosterol	Desmosterol	ME404548	439577	C01802	2364	-
dihomo-linolenoylcarnitine (20:3n3 or 6)	CAR 20:3	ME404549	-	-	1392	-
dihomo-linoleoylcarnitine (C20:2)	CAR 20:2	ME404550	-	-	1436	-
docosahexaenoylcarnitine (C22:6)	CAR 22:6	ME404551	-	-	1349	-
eicosanoylsphingosine (d20:1)	C20 Sphingosine	ME404552	-	-	1443	-
eicosenoylcarnitine (C20:1)	CAR 20:1	ME404553	-	-	1484	-
gamma-tocopherol/beta-tocopherol	beta-tocopherol	ME404554	-	-	2384	-
heme	Heme	ME404555	26945	C00032	1124	-
laurylcarnitine (C12)	CAR 12:0	ME404556	10427569	-	1235	-
lignoceroylcarnitine (C24)	CAR 24:0	ME404557	-	-	1603	-
linoleoylcarnitine (C18:2)	CAR 18:2	ME404558	6450015	-	1430	-
myristoleoylcarnitine (C14:1)	CAR 14:1	ME404559	90659872	-	1316	-
myristoylcarnitine (C14)	CAR 14:0	ME404560	6426854	-	1350	-
oleoylcarnitine (C18:1)	CAR 18:1	ME404561	6441392	-	1423	-
oleoylcholine	Oleoylcholine	ME404562	-	-	1449	-
palmitoleoylcarnitine (C16:1)	CAR 16:1	ME404564	71464547	-	1357	-
palmitoleoyl ethanolamide	Palmitoleoyl-EA	ME404563	9835868	-	1546	-
palmitoylcarnitine (C16)	CAR 16:0	ME404565	461	C02990	1425	-
palmitoylcholine	Palmitoylcholine	ME404566	151731	-	1482	-
phytosphingosine	Phytosphingosine	ME404567	122121	C12144	1367	-
spermine	Spermine	ME404568	1103	C00750	758	-
sphingadienine	Sphingadienine	ME404569	6449795	-	1350	-
sphinganine	Sphinganine	ME404570	3126	C00836	1413	-
sphingosine	Sphingosine	ME404571	5353955	C00319	1393	-
sphingosine 1-phosphate	Sphingosine 1-phosphate	ME404572	5283560	C06124	1375	-
stearoylcarnitine (C18)	CAR 18:0	ME404574	6426855	-	1485	-
stearoyl ethanolamide	Stearoyl-EA	ME404573	27902	-	1787	-

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
12-HETE	12-HETE	ME404580	5312983	-	5326	-
13-HODE + 9-HODE	HODE	ME404581	43013	-	5275	-
1,5-anhydroglucitol (1,5-AG)	1,5-Anhydrosorbitol	ME404575	64960	C07326	802	-
15-HETE	15-HETE	ME404582	5280724	C04742	5298	-
15-KETE	15-Oxo-ETE	ME404583	5280701	C04577	5270	-
1-arachidonylglycerol (20:4)	MG 20:4	ME404576	5282281	C13857	6250	-
1-docosahexaenoylglycerol (22:6)	MG 22:6	ME404577	-	-	6150	-
1-oleoylglycerol (18:1)	MG 18:1/0:0/0:0	ME404578	5283468	-	6650	-
1-palmitoylglycerol (16:0)	MG 16:0/0:0/0:0	ME404579	14900	-	6550	-
2-arachidonoylglycerol (20:4)	MG 20:4	ME404586	5282280	C13856	6170	-
2'-deoxyinosine	Deoxyinosine	ME404584	65058	C05512	1688	-
2'-deoxyuridine	Deoxyuridine	ME404585	13712	C00526	1586	-
2-docosahexaenoylglycerol (22:6)	MG 22:6	ME404587	-	-	6050	-
2-hydroxybehenate	2-Hydroxy behenic acid	ME404588	193484	-	6384	-
2-hydroxydecanoate	2-Hydroxycapric acid	ME404589	21488	-	4840	-
2-hydroxyheptanoate	2-Hydroxy enanthoic acid	ME404590	2750949	-	2900	-
2-hydroxynervonate	Hydroxynervonic acid	ME404591	5312783	-	6345	-
2-hydroxyoctanoate	2-Hydroxyoctanoic acid	ME404592	94180	-	3736.8	-
2-hydroxypalmitate	2-Hydroxypalmitic acid	ME404593	92836	-	5511.2	-
2-methylcitrate/homocitrate	Homocitric acid	ME404594	-	-	575	-
2-oleoylglycerol (18:1)	MG 0:0/18:1(9Z)/0:0	ME404595	5319879	-	6500	-
2-palmitoylglycerol (16:0)	MG 0:0/16:0/0:0	ME404596	123409	-	6400	-
3-(4-hydroxyphenyl)lactate	Hydroxyphenyllactic acid	ME404599	9378	C03672	1379	-
3'-dephospho-acetyl-CoA	-	ME404597	193680	-	2313	-
3'-dephosphocoenzyme A	3'-Dephospho-CoA	ME404598	444485	C00882	2013	-
3-hydroxyhexanoate	3S-Hydroxyhexanoic acid	ME404600	151492	-	1725	-
3-hydroxypalmitate	3-Hydroxyhexadecanoic acid	ME404601	301590	-	5476	-
3-indoxyl sulfate	Indoxyl sulfate	ME404602	10258	-	2222.2	-
3-methyl-2-oxovalerate	3-Methyl-2-oxovaleric acid	ME404603	47	C00671	2064.2	-
3-phosphoglycerate	3-Phosphoglyceric acid	ME404604	724	C00597	583	-
4-ethylphenylsulfate	4-Ethylphenol	ME404605	-	C13637	3580	-
4-hydroxy-nonenal-glutathione	-	ME404606	-	-	3319.2	-
4-hydroxyphenylpyruvate	4-Hydroxyphenylpyruvic acid	ME404607	979	C01179	1690	-
4-methyl-2-oxopentanoate	Ketoleucine	ME404608	70	C00233	2170	-
5,6-dihydrouridine	5,6-Dihydrouridine	ME404609	94312	-	1119	-
5-HETE	5-HETE	ME404610	5280733	C04805	5382	-
5-hydroxyindoleacetate	5-Hydroxyindoleacetic acid	ME404611	1826	C05635	1510.2	-
5-KETE	5-Oxo-ETE	ME404612	5283159	C14732	5372	-
5-methyltetrahydrofolate (5MeTHF)	5-Methyl-THF	ME404613	146	C00440	1820	-
5-methyluridine (ribothymidine)	Ribothymidine	ME404614	445408	-	1778.1	-
5-oxoproline	Pyroglutamic acid	ME404615	7405	C01879	738.5	-
5-phosphoribosyl diphosphate (PRPP)	Phosphoribosyl pyrophosphate	ME404616	7339	C00119	570	-
6-phosphogluconate	6-Phosphogluconic acid	ME404617	91493	C00345	583.9	-
acetyl CoA	Acetyl-CoA	ME404618	444493	C00024	1691	-
aconitate [cis or trans]	cis-Aconitic acid	ME404619	-	-	580	-
adenosine 2'-monophosphate (2'-AMP)	Adenosine 2'-phosphate	ME404620	94136	C00946	1497.7	-
adenosine 3',5'-diphosphate	Adenosine 3',5'-diphosphate	ME404621	159296	C00054	575	-
adenosine 3'-monophosphate (3'-AMP)	3'-AMP	ME404622	41211	C01367	1245	-
adenylosuccinate	Adenylsuccinic acid	ME404623	195	C03794	560	-
ascorbate (Vitamin C)	Vitamin C	ME404624	-	C00072	645.3	-
benzoate	Benzoic acid	ME404625	243	C00180	1750	-
beta-citrylglutamate	Beta-Citryl-glutamic acid	ME404626	72715786	C20775	530	-
caprate (10:0)	Capric acid	ME404628	2969	C01571	5090.7	-
caproate (6:0)	Caproic acid	ME404629	8892	C01585	2713.7	-
caprylate (8:0)	Caprylic acid	ME404630	379	C06423	4362	-
C-glycosyltryptophan	C-Glycosyltryptophan	ME404627	10981970	-	1777	-
cholate	Cholic acid	ME404631	221493	C00695	5165	-
citrate	Citric acid	ME404632	311	C00158	582	-
coenzyme A	Coenzyme A	ME404633	317	C00010	1448	-
corticosterone	Corticosterone	ME404634	5753	C02140	5040	-
dehydroascorbate	Dehydroascorbic acid	ME404635	835	C05422	739.6	-
dihydroxyacetone phosphate (DHAP)	Dihydroxyacetone phosphate	ME404636	668	C00111	603	-
dopamine 3-O-sulfate	Dopamine 3-O-sulfate	ME404637	122136	C13690	1556.2	-
dopamine 4-sulfate	Dopamine 4-sulfate	ME404638	123932	C13691	1511	-
flavin adenine dinucleotide (FAD)	FAD	ME404639	643975	C00016	2425	-
flavin mononucleotide (FMN)	FMN	ME404640	710	C00061	2390	-
fructose 1,6-diphosphate/glucose 1,6-diphosphate/m...	Fructose 1,6-bisphosphate	ME404641	-	C00354	551	-
gamma-glutamyltyrosine	gamma-Glutamyltyrosine	ME404642	94340	-	1240	-
glycerol	Glycerol	ME404643	753	C00116	758	-
guanosine	Guanosine	ME404644	6802	C00387	1662	-
guanosine 5'- diphosphate (GDP)	GDP	ME404645	8977	C00035	639	-
heptanoate (7:0)	Heptylic acid	ME404646	8094	C17714	3670	-
hippurate	Hippuric acid	ME404647	464	C01586	2106.9	-
histidine	Histidine	ME404648	6274	C00135	755.9	-
hypoxanthine	Hypoxanthine	ME404649	790	C00262	1291.2	-
inosine	Inosine	ME404650	6021	C00294	1602.1	-
linoleoyl ethanolamide	Linoleoyl-EA	ME404651	5283446	-	6150	-
maltotetraose	Maltotetraose	ME404652	446495	C02052	910	-
maltotriose	Maltotriose	ME404653	439586	C01835	812	-
N1-Methyl-2-pyridone-5-carboxamide	N1-Methyl-2-pyridone-5-carboxamide	ME404667	69698	C05842	1668	-
N6-carbamoylthreonyladenosine	N6-Carbamoyl-L-threonyladenosine	ME404668	161466	-	2164	-
N6-succinyladenosine	Succinyladenosine	ME404669	165243	-	940	-
N-acetylaspartate (NAA)	N-Acetylaspartic acid	ME404654	65065	C01042	620.5	-
N-acetylisoleucine	N-Acetylisoleucine	ME404655	2802421	-	2325	-
N-acetylleucine	N-Acetylleucine	ME404656	70912	C02710	2400	-
N-acetylmethionine	N-Acetylmethionine	ME404657	448580	C02712	1787	-
N-acetylphenylalanine	N-Acetylphenylalanine	ME404658	74839	C03519	2597	-
N-acetyltaurine	N-Acetyltaurine	ME404659	159864	-	800	-
N-acetylthreonine	N-Acetylthreonine	ME404660	152204	-	821.6	-
N-acetyltyrosine	N-Acetyltyrosine	ME404661	68310	-	1680	-
N-arachidonoyltaurine	N-Arachidonoyl taurine	ME404662	-	-	5481	-
N-formylmethionine	N-Formylmethionine	ME404663	439750	C03145	1543.8	-
N-formylphenylalanine	N-Formylphenylalanine	ME404664	759256	-	2360	-
nicotinamide adenine dinucleotide (NAD+)	NAD	ME404670	5893	C00003	1434	-
N-palmitoylserine	N-Palmitoyl serine	ME404665	6453686	-	5557	-
N-stearoylserine	N-Stearoyl serine	ME404666	-	-	5777	-
oleoyl ethanolamide	Oleoyl-EA	ME404672	5283454	-	6450	-
O-sulfo-L-tyrosine	Sulfotyrosine	ME404671	514186	-	990	-
palmitoyl ethanolamide	Palmitoyl-EA	ME404673	4671	C16512	6300	-
phenol sulfate	Phenyl hydrogen sulfate	ME404674	74426	C02180	2156	-
phosphate	Phosphoric acid	ME404675	1061	C00009	608	-
phosphoenolpyruvate (PEP)	Phosphoenolpyruvic acid	ME404676	1005	C00074	587.3	-
phosphoethanolamine	Phosphoethanolamine	ME404677	1015	C00346	638	-
phosphopantetheine	Pantetheine 4'-phosphate	ME404678	987	C01134	1597	-
prostaglandin F2alpha	PGF2alpha	ME404679	5280363	C00639	4658	-
riboflavin (Vitamin B2)	Riboflavin	ME404680	493570	C00255	3160	-
S-(3-hydroxypropyl)mercapturic acid (HPMA)	N-Acetyl-S-(3-hydroxypropyl)-cysteine	ME404681	3371179	-	1576	-
S-adenosylhomocysteine (SAH)	S-Adenosylhomocysteine	ME404682	439155	C00021	1832.4	-
sedoheptulose-7-phosphate	Sedoheptulose 7-phosphate	ME404683	616	C05382	599.6	-
tartronate (hydroxymalonate)	Hydroxypropanedioic acid	ME404684	45	C02287	610	-
thymidine	Thymidine	ME404685	5789	C00214	1963.7	-
UDP-glucuronate	UDP-glucuronic acid	ME404686	17473	C00167	588	-
urate	Uric acid	ME404687	1175	C00366	757.1	-
uridine	Uridine	ME404688	6029	C00299	1457.6	-
uridine-2',3'-cyclic monophosphate	2',3' cyclic UMP	ME404689	439715	C02355	1090	-
xanthosine	Xanthosine	ME404690	64959	C01762	1075	-

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
2-aminoadipate	alpha-Aminoadipic acid	ME404691	469	C00956	3500	-
2-hydroxyadipate	2-Hydroxyadipic acid	ME404692	193530	C02360	3000	-
2-hydroxybutyrate/2-hydroxyisobutyrate	2-Hydroxybutyric acid/2-Hydroxyisobutyric acid	ME404693	-	-	1258	-
2-hydroxyglutarate	2-Hydroxyglutaric acid	ME404694	43	C02630	3352.8	-
2-hydroxylignocerate	Cerebronic acid	ME404695	102430	C17873	710	-
3-hydroxy-2-ethylpropionate	2-Ethyl-hydracrylic acid	ME404696	188979	-	1443.3	-
3-hydroxy-3-methylglutarate	3-Hydroxymethylglutaric acid	ME404697	1662	C03761	2850	-
3-hydroxyadipate	3-Hydroxy-adipic acid	ME404698	151913	-	3131	-
3-hydroxybutyrate (BHBA)	3-Hydroxybutyric acid	ME404699	441	C01089	1444	-
3-hydroxyisobutyrate	3-Hydroxyisobutyric acid	ME404700	87	C06001	1619	-
3-methyl-2-oxobutyrate	Ketoisovaleric acid	ME404701	49	C00141	911	-
3-methylglutaconate	3E-Methylglutaconic acid	ME404702	1551553	-	2700	-
3-methylglutarate/2-methylglutarate	Methylglutaric acid	ME404703	-	-	2832	-
3-sulfo-L-alanine	Cysteic acid	ME404704	72886	C00506	2890	-
acetylphosphate	Acetylphosphate	ME404705	186	C00227	4013.9	-
adipate (C6-DC)	Adipic acid	ME404706	196	C06104	3000	-
allantoin	Allantoin	ME404707	204	C02350	1672	-
allo-threonine	Allothreonine	ME404708	99289	C05519	2511.1	-
alpha-hydroxyisovalerate	2-Hydroxy-3-methylbutyric acid	ME404709	99823	-	1052	-
alpha-ketoglutaramate	2-Keto-glutaramic acid	ME404710	-	-	1916	-
alpha-ketoglutarate	2-Oxoglutaric acid	ME404711	51	C00026	2700	-
arabinose	Arabinose	ME404712	66308	C00216	1804.5	-
arabitol/xylitol	Arabitol	ME404713	6912	C01904	1932.4	-
arabonate/xylonate	Arabinonic acid/Xylonic acid	ME404714	-	-	2700	-
azelate (C9-DC)	Azelaic acid	ME404715	2266	C08261	2520	-
beta-hydroxyisovalerate	3-Hydroxyisovaleric acid	ME404716	69362	-	1149.8	-
chiro-inositol	1D-chiro-Inositol	ME404717	-	C19891	3191.2	-
cyano-alanine	Cyanoalanine	ME404718	13538	C02512	1516	-
cytidine 2',3'-cyclic monophosphate	2',3' cyclic CMP	ME404719	417654	C02354	2368	-
cytidine 5'-diphosphocholine	CDP-choline	ME404720	13804	C00307	4200	-
cytidine-5'-diphosphoethanolamine	CDP-Ethanolamine	ME404722	123727	C00570	4210	-
cytidine 5'-monophospho-N-acetylneuraminic acid	CMP-N-acetylneuraminic acid	ME404721	448209	C00128	3900	-
erythritol	Erythritol	ME404723	222285	C00503	1491	-
erythronate	Erythronic acid	ME404724	2781043	-	2186	-
ethylmalonate	Ethylmalonic acid	ME404725	11756	-	2785	-
fructose	Fructose	ME404726	5984	C00095	2065	-
fumarate	Fumaric acid	ME404727	444972	C00122	3084	-
galactitol (dulcitol)	Galactitol	ME404728	11850	C01697	2360	-
galactose 1-phosphate	Galactose 1-phosphate	ME404729	123912	C00446	4552	-
gluconate	Gluconic acid	ME404730	10690	C00257	2922	-
glucosamine-6-phosphate	Glucosamine 6-phosphate	ME404731	439217	C00352	4521.5	-
glucose	Glucose	ME404732	79025	C00031	2342	-
glucose 6-phosphate	Glucose 6-phosphate	ME404733	5958	C00668	4537	-
glucuronate	Glucuronic acid	ME404734	444791	C00191	3233.3	-
glutarate (C5-DC)	Glutaric acid	ME404735	743	C00489	2900	-
glycerate	Glyceric acid	ME404736	752	C00258	2070.4	-
glycylaspartate	Gly-Asp	ME404737	273261	-	3573	-
glycylglutamate	Gly-Glu	ME404738	99278	-	3454	-
glycylserine	Gly-Ser	ME404739	73086	-	2557	-
guanosine 5'-diphospho-fucose	-	ME404740	-	-	4225	-
gulonate	Gulonic acid	ME404741	9794176	C00257	2750	-
inosine 5'-monophosphate (IMP)	IMP	ME404742	8582	C00130	4267.7	-
inositol 1-phosphate (I1P)	Inositol 3-phosphate	ME404743	440194	C01177	4785	-
isocitric lactone	Isocitric acid lactone	ME404744	98259	-	2970	-
lactate	Lactic acid	ME404745	612	C00186	1468.8	-
malate	Malic acid	ME404746	525	C00149	3343.1	-
malonate	Malonic acid	ME404747	867	C00383	3447	-
maltose	Maltose	ME404748	10991489	C00208	3329.4	-
mannitol/sorbitol	Sorbitol	ME404749	5780	C00794	2320	-
mannose	Mannose	ME404750	18950	C00159	2200	-
mannose-6-phosphate	Mannose 6-phosphate	ME404751	439198	C00275	4510	-
methylmalonate (MMA)	Methylmalonic acid	ME404752	487	C02170	3078.4	-
methylphosphate	Methanolphosphate	ME404753	13130	-	3760.1	-
methylsuccinate	Methylsuccinic acid	ME404754	10349	-	2800	-
myo-inositol	Myo-inositol	ME404755	892	C00137	3506.3	-
N-acetylalanine	N-Acetylalanine	ME404757	88064	C02847	1564.8	-
N-acetyl-glucosamine 1-phosphate	N-Acetylglucosamine 1-phosphate	ME404756	440364	C04256	4052	-
N-acetylglucosamine 6-phosphate	N-Acetyl-glucosamine 6-phosphate	ME404758	439219	C00357	4114	-
N-formylanthranilic acid	Formylanthranilic acid	ME404759	101399	C05653	900	-
orotate	Orotic acid	ME404760	967	C00295	1638.1	-
orotidine	Orotidine	ME404761	92751	-	2250	-
oxalate (ethanedioate)	Oxalic acid	ME404762	971	C00209	3803	-
pantetheine	Pantetheine	ME404763	439322	C00831	927	-
pimelate (C7-DC)	Pimelic acid	ME404764	385	C02656	2745	-
pyridoxate	4-Pyridoxic acid	ME404765	6723	C00847	846	-
pyruvate	Pyruvic acid	ME404766	1060	C00022	2650	-
ribitol	Ribitol	ME404767	6912	C00474	1789.6	-
ribonate	Ribonic acid	ME404768	5460677	C01685	2425	-
ribose	Ribose	ME404769	5779	C00121	1508.2	-
ribose 1-phosphate	Ribose 1-phosphate	ME404770	439236	C00620	4025	-
ribose 5-phosphate	Ribose 5-phosphate	ME404771	-	C00117	4193	-
ribulonate/xylulonate	-	ME404772	-	-	2350	-
ribulose 5-phosphate	Ribulose 5-phosphate	ME404773	439184	C00199	3922	-
ribulose/xylulose	Xylulose	ME404774	5289590	-	1400	-
salicylate	Salicylic acid	ME404775	338	C00805	802	-
sedoheptulose	Glucoheptulose	ME404776	5459879	-	2255	-
serylglycine	Ser-Gly	ME404777	136488	-	2450	-
threonate	Threonic acid	ME404778	151152	C01620	2384	-
UDP-galactose	UDP-galactose	ME404779	18068	C00052	4000	-
UDP-glucose	UDP-glucose	ME404780	8629	C00029	3950	-
UDP-N-acetylglucosamine/galactosamine	UDP-N-acetylhexosamine	ME404781	-	-	3665	-
uracil	Uracil	ME404782	1174	C00106	1089.7	-
xylulose 5-phosphate	Xylulose 5-phosphate	ME404783	439190	C00231	3955	-