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Analysis: Reversed phase POSITIVE ION MODE/Metabolites set1

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-(1-enyl-oleoyl)-GPE (P-18:1)LPE P-18:1 or LPE O-18:2ME290399--1566-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME290400--2154-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME290401--2270-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)PC P-16:0/18:2 or PC O-16:1/18:2ME290402--2226-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)PE P-16:0/18:2 or PE O-16:1/18:2ME290403--2351-
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)PC P-16:0/18:1 or PC O-16:1/18:1ME290404--2443-
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)PE P-16:0/18:1 or PE O-16:1/18:1ME290405--2600-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...PC P-16:0/16:1 or PC O-16:1/16:1ME290406--2218-
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)PC P-16:0/16:0 or PC O-16:1/16:0ME290407--2454-
1-(1-enyl-palmitoyl)-GPC (P-16:0)LPC P-16:0 or LPC O-16:1ME290408--1547-
1-(1-enyl-palmitoyl)-GPE (P-16:0)LPE P-16:0 or LPE O-16:1ME290409--1558-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME290410--2511-
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)PE P-18:0/18:2 or PE O-18:1/18:2ME290411--2633-
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME290412--2950-
1-(1-enyl-stearoyl)-GPE (P-18:0)LPE P-18:0 or LPE O-18:1ME290413--1649-
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME290464--2006-
1,2-dilinoleoyl-GPE (18:2/18:2)PE 18:2/18:2ME290465--2083-
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME290466--2365-
1-arachidonoyl-GPC (20:4n6)LPC 20:4/0:0ME290414--1460-
1-arachidonoyl-GPE (20:4n6)LPE 20:4/0:0ME290415--1470-
1-arachidonylglycerol (20:4)MG 20:4ME290416--1568-
1-docosahexaenoylglycerol (22:6)MG 22:6ME290417--1542-
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME290418--1907-
1-linolenoyl-GPC (18:3)LPC 18:3ME290419--1410-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)PC 18:2/20:4ME290420--1969-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)PC 18:2/18:3ME290421--1939-
1-linoleoylglycerol (18:2)MG 18:2ME290424--1595-
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME290422--1465-
1-linoleoyl-GPE (18:2)LPE 18:2/0:0ME290423--1482-
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)PC 14:0/20:4ME290425--1914-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME290426--2147-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)PC 18:1/22:6ME290427--2011-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)PE 18:1/18:2ME290428--2270-
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME290431--1695-
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME290429--1540-
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME290430--1554-
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)PC 16:1_18:3ME290432--1850-
1-palmitoleoyl-GPC (16:1)LPC 16:1/0:0ME290433--1450-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME290434--2091-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)PE 16:0/20:4ME290435--2198-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)PI 16:0/20:4ME290436--2567-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME290437--2023-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)PE 16:0/22:6ME290438--2119-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME290439--2160-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME290440--2275-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME290441--2730-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME290442--2358-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME290443--2509-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)PI 16:0/18:1ME290444--3140-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)PC 16:0/16:1ME290445--2160-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME290446--2653-
1-palmitoylglycerol (16:0)MG 16:0/0:0/0:0ME290449--1689-
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME290447--1525-
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME290448--1544-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME290450--2300-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME290451--2424-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME290452--3000-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME290453--2197-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)PE 18:0/22:6ME290454--2317-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)PC 18:0/18:2ME290455--2380-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)PE 18:0/18:2ME290456--2522-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME290457--3185-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME290458--2644-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME290459--2858-
1-stearoyl-2-oleoyl-GPI (18:0/18:1)PI 18:0/18:1ME290460--3711-
1-stearoyl-2-oleoyl-GPS (18:0/18:1)PS 18:0/18:1ME290461--3000-
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME290462--1606-
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME290463--1626-
4-cholesten-3-oneCholestenoneME290467--2520-
alpha-tocopherolalpha-TocopherolME290468--2522-
arachidonoylcarnitine (C20:4)CAR 20:4ME290469--1353-
arachidonoylcholineArachidonoylcholineME290470--1390-
arachidoylcarnitine (C20)CAR 20:0ME290471--1512-
behenoyl dihydrosphingomyelin (d18:0/22:0)SM 18:0;O2/22:0ME290472--3150-
behenoyl sphingomyelin (d18:1/22:0)SM 18:1;O2/22:0ME290473--3083-
beta-cryptoxanthinCryptoxanthinME290474--2560-
bilirubin (E,E)BilirubinME290475--1045-
bilirubin (Z,Z)BilirubinME290476--1840-
biliverdinBiliverdinME290477--1016-
carotene diol (1)Carotene diolME290478--1720-
carotene diol (2)Carotene diolME290479--1904-
carotene diol (3)Carotene diolME290480--1948-
ceramide (d16:1/24:1, d18:1/22:1)Cer 40:2;O2ME290481--3850-
ceramide (d18:1/14:0, d16:1/16:0)Cer 36:1;O2ME290482--2477-
ceramide (d18:1/17:0, d17:1/18:0)Cer 35:1;O2ME290483--3055-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)Cer 38:1;O2ME290484--3920-
ceramide (d18:2/24:1, d18:1/24:2)Cer 42:3;O2ME290485--3858-
cerotoylcarnitine (C26)CAR 26:0ME290486--1649-
cholesterolCholesterolME290487--2707-
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME290488--1057-
decanoylcarnitine (C10)CAR 10:0ME290489--1130-
diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [...DG 30:1ME290490--2716-
diacylglycerol (14:0/18:1, 16:0/16:1) [1]DG 32:1ME290491--3057-
diacylglycerol (14:0/18:1, 16:0/16:1) [2]DG 32:1ME290492--3183-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])DG 34:3ME290493--2733-
dihomo-linolenoylcarnitine (C20:3n3 or 6)CAR 20:3ME290494--1392-
dihomo-linoleoylcarnitine (C20:2)CAR 20:2ME290495--1436-
docosahexaenoylcarnitine (C22:6)CAR 22:6ME290496--1349-
docosahexaenoylcholine-ME290497--1378-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME290498--2384-
glycosyl ceramide (d16:1/24:1, d18:1/22:1)HexCer 40:2;O2ME290499--3373-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)HexCer 38:1;O2ME290500--3414-
glycosyl ceramide (d18:1/23:1, d17:1/24:1)HexCer 41:2;O2ME290501--3667-
glycosyl ceramide (d18:2/24:1, d18:1/24:2)HexCer 42:3;O2ME290502--3380-
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...HexCer 18:1;O2/24:1;OME290503--3839-
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)HexCer 18:2;O2/22:0ME290504--3420-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME290505--2623-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME290506--3053-
hemeHemeME290507--1124-
hexanoylcarnitine (C6)CAR 6:0ME290508--800-
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)LacCer 18:1;O2/22:0ME290509--3842-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)LacCer 18:1;O2/24:1ME290510--3778-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME290511--2527-
laurylcarnitine (C12)CAR 12:0ME290512--1235-
lignoceroylcarnitine (C24)CAR 24:0ME290514--1603-
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME290513--3437-
linolenoylcarnitine (C18:3)CAR 18:3ME290515--1310-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]DG 18:2_20:4ME290516--2590-
linoleoylcarnitine (C18:2)CAR 18:2ME290520--1430-
linoleoylcholinealpha-LinoleoylcholineME290521--1388-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]DG 18:2_22:6ME290517--2450-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]DG 18:2_18:3ME290518--2426-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]DG 18:2_18:2ME290519--2720-
margaroylcarnitine (C17)CAR 17:0ME290522--1424-
myristoleoylcarnitine (C14:1)CAR 14:1ME290523--1316-
myristoylcarnitine (C14)CAR 14:0ME290527--1350-
myristoyl dihydrosphingomyelin (d18:0/14:0)SM 18:0;O2/14:0ME290524--2060-
myristoyl-linoleoyl-glycerol (14:0/18:2) [1]DG 14:0_18:2ME290525--2679-
myristoyl-linoleoyl-glycerol (14:0/18:2) [2]DG 14:0_18:2ME290526--2720-
N-behenoyl-sphingadienine (d18:2/22:0)Cer 18:2;O2/22:0ME290528--3911-
N-palmitoyl-sphingadienine (d18:2/16:0)Cer 18:2;O2/16:0ME290529--2490-
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME290530--3090-
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME290531--2893-
N-stearoyl-sphingadienine (d18:2/18:0)Cer 18:2;O2/18:0ME290532--2846-
N-stearoyl-sphinganine (d18:0/18:0)Cer 18:0;O2/18:0ME290533--3526-
N-stearoyl-sphingosine (d18:1/18:0)Cer 18:1;O2/18:0ME290534--3392-
octadecanedioylcarnitine (C18-DC)CAR DC18:0ME290535--1227-
octadecenedioylcarnitine (C18:1-DC)CAR DC18:1ME290536--1180-
octanoylcarnitine (C8)CAR 8:0ME290537--950-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]DG 18:1_20:4ME290538--2907-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]DG 18:1_20:4ME290539--2990-
oleoylcarnitine (C18:1)CAR 18:1ME290544--1423-
oleoylcholineOleoylcholineME290545--1449-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME290540--3115-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME290541--3223-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]DG 18:1_18:1ME290542--3571-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]DG 18:1_18:1ME290543--3695-
palmitoleoylcarnitine (C16:1)CAR 16:1ME290547--1357-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]DG 16:1_18:2ME290546--2664-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]DG 16:0_20:4ME290550--2916-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]DG 16:0_20:4ME290551--3015-
palmitoylcarnitine (C16)CAR 16:0ME290561--1425-
palmitoylcholinePalmitoylcholineME290562--1482-
palmitoyl dihydrosphingomyelin (d18:0/16:0)SM 18:0;O2/16:0ME290548--2290-
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]DG 16:0_22:6ME290552--2749-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]DG 16:0_18:2ME290553--3080-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]DG 16:0_18:2ME290554--3197-
palmitoyl-myristoyl-glycerol (16:0/14:0) [1]DG 14:0_16:0ME290555--3054-
palmitoyl-myristoyl-glycerol (16:0/14:0) [2]DG 14:0_16:0ME290556--3180-
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]DG 16:0_18:1ME290557--3562-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]DG 16:0_18:1ME290558--3695-
palmitoyl-palmitoyl-glycerol (16:0/16:0) [1]DG 16:0_16:0ME290559--3568-
palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]DG 16:0_16:0ME290560--3734-
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME290549--2168-
retinol (Vitamin A)RetinolME290563--1636-
sphinganineSphinganineME290564--1413-
sphinganine-1-phosphateSphinganine 1-phosphateME290565--1431-
sphingomyelin (d17:1/14:0, d16:1/15:0)SM 31:1;O2ME290566--1950-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)SM 33:1;O2ME290567--2082-
sphingomyelin (d17:2/16:0, d18:2/15:0)SM 33:2;O2ME290568--1837-
sphingomyelin (d18:0/18:0, d19:0/17:0)SM 36:0;O2ME290569--2362-
sphingomyelin (d18:0/20:0, d16:0/22:0)SM 38:0;O2ME290570--2600-
sphingomyelin (d18:1/14:0, d16:1/16:0)SM 32:1;O2ME290571--1998-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME290572--2312-
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME290573--2167-
sphingomyelin (d18:1/19:0, d19:1/18:0)SM 37:1;O2ME290574--2330-
sphingomyelin (d18:1/20:0, d16:1/22:0)SM 38:1;O2ME290575--2685-
sphingomyelin (d18:1/20:1, d18:2/20:0)SM 38:2;O2ME290576--2383-
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)SM 18:1;O2/20:2ME290577--2039-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)SM 39:1;O2ME290578--2793-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)SM 40:2;O2ME290579--2666-
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)SM 40:3;O2ME290580--2209-
sphingomyelin (d18:1/24:1, d18:2/24:0)SM 42:2;O2ME290581--3033-
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...SM 43:1;O2ME290582--3500-
sphingomyelin (d18:2/14:0, d18:1/14:1)SM 32:2;O2ME290583--1860-
sphingomyelin (d18:2/16:0, d18:1/16:1)SM 34:2;O2ME290584--2002-
sphingomyelin (d18:2/18:1)SM 18:2;O2/18:1ME290585--1904-
sphingomyelin (d18:2/21:0, d16:2/23:0)SM 39:2;O2ME290586--2330-
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)SM 41:2;O2ME290587--2845-
sphingomyelin (d18:2/23:1)SM 18:2;O2/23:1ME290588--2315-
sphingomyelin (d18:2/24:1, d18:1/24:2)SM 42:3;O2ME290589--2635-
sphingomyelin (d18:2/24:2)SM 18:2;O2/24:2ME290590--2215-
sphingosineSphingosineME290591--1393-
sphingosine 1-phosphateSphingosine 1-phosphateME290592--1375-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]DG 18:0_20:4ME290594--3404-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]DG 18:0_20:4ME290595--3522-
stearoylcarnitine (C18)CAR 18:0ME290596--1485-
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME290593--2400-
tricosanoyl sphingomyelin (d18:1/23:0)SM 18:1;O2/23:0ME290597--3200-
ximenoylcarnitine (C26:1)CAR 26:1ME290598--1607-


Analysis: Reversed phase POSITIVE ION MODE/Metabolites set2

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME290600--2064-
1-methylhistidine1-MethylhistidineME290601--2755-
1-methylnicotinamide1-Methyl nicotinamideME290602--1940-
1-ribosyl-imidazoleacetateImidazoleacetic acid ribosideME290603--2006-
2-aminobutyrate2-Aminobutyric acidME290604--2059-
2-hydroxyglutarate2-Hydroxyglutaric acidME290605--958-
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME290606--3050-
2-methylserine2-MethylserineME290607--1652-
2'-O-methylcytidine2'-O-MethylcytidineME290610--2411-
2-oxoarginine2-OxoarginineME290608--1760-
2-piperidinone2-PiperidinoneME290609--1675-
3-aminoisobutyrate3-Aminoisobutanoic acidME290611--2190-
3-hydroxybutyrylcarnitine (1)CAR 4:0;3OHME290612--2400-
3-hydroxybutyrylcarnitine (2)CAR 4:0;3OHME290613--2340-
3-methoxytyrosine3-MethoxytyrosineME290614--2555-
3-phosphoglycerate3-Phosphoglyceric acidME290615--590-
3-ureidopropionateUreidopropionic acidME290616--875-
4-acetamidobutanoate4-Acetamidobutanoic acidME290617--1350-
4-guanidinobutanoate4-Guanidinobutanoic acidME290618--2320-
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME290619--1141-
4-imidazoleacetateImidazoleacetic acidME290620--2055-
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME290621--2755-
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME290622--1893-
5-hydroxylysine5-HydroxylysineME290623--2790-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME290624--2752-
5-methylthioribose5-MethylthioriboseME290625--790-
acetylcarnitine (C2)CAR 2:0ME290626--2282-
adenineAdenineME290627--2221-
adenosine 5'-monophosphate (AMP)AMPME290628--1013-
adipoylcarnitine (C6-DC)CAR DC5:0ME290629--2570-
alanineAlanineME290630--1700-
argininateArgininic acidME290631--2150-
arginineArginineME290632--2825-
asparagineAsparagineME290633--1225-
aspartateAspartic acidME290634--1165-
beta-alaninebeta-AlanineME290635--1905-
betaineBetaineME290636--1064-
butyrylcarnitine (C4)CAR 4:0ME290637--2860-
carnitineCarnitineME290638--1978-
carnosineCarnosineME290639--2942-
cholineCholineME290640--1961-
choline phosphateCholine phosphateME290641--700-
citrullineCitrullineME290642--1520-
creatineCreatineME290643--1947-
creatinineCreatinineME290644--2055-
cys-gly, oxidizedCYS-GLY, oxidizedME290645--2947-
cystathionineCystathionineME290646--2270-
cysteineCysteineME290647--1488-
cysteinylglycine disulfideCysteinylglycine disulfideME290648--2547-
cystineCystineME290649--2000-
deoxycarnitine3-DehydroxycarnitineME290650--2052-
dimethylarginine (SDMA + ADMA)DimethylarginineME290651--2850-
dimethylglycineDimethylglycineME290652--1104-
ergothioneineErgothioneineME290653--850-
formiminoglutamateFormiminoglutamic acidME290654--1880-
gamma-glutamylalaninegamma-GlutamylalanineME290656--1986-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME290655--2784-
gamma-glutamylcitrulline-ME290657--1644-
gamma-glutamylglutamategamma-Glutamylglutamic acidME290658--1775-
gamma-glutamylglutaminegamma-GlutamylglutamineME290659--1430-
gamma-glutamylglycinegamma-GlutamylglycineME290660--1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME290661--2740-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME290662--2992-
gamma-glutamylthreoninegamma-GlutamylthreonineME290663--1750-
glutamateGlutamic acidME290664--1500-
glutamineGlutamineME290665--1291-
glutarylcarnitine (C5-DC)CAR DC5:0ME290666--2393-
glycerol 3-phosphatesn-Glycero-3-phosphateME290667--580-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME290668--659-
glycineGlycineME290669--1375-
homoarginineHomoarginineME290670--2882-
hydroxyasparagineHydroxyasparagineME290671--1149-
hypotaurineHypotaurineME290672--724-
imidazole lactateImidazolelactic acidME290673--2040-
imidazole propionateImidazole propanoateME290674--2263-
iminodiacetate (IDA)IminodiacetateME290675--808-
indoleacetylcarnitine-ME290676--3114-
isobutyrylcarnitine (C4)CAR 3:0;2MeME290677--2810-
isoleucineIsoleucineME290678--2800-
isovalerylcarnitine (C5)CAR 4:0;3MeME290679--3085-
kynurenineKynurenineME290680--2739-
lanthionineLanthionineME290681--1730-
leucineLeucineME290682--2864-
lidocaineLidocaineME290683--3250-
lysineLysineME290684--2850-
methionineMethionineME290685--2526-
methionine sulfoneMethionine sulfoneME290686--1250-
methionine sulfoxideMethionine sulfoxideME290687--1272-
methyl glucopyranoside (alpha + beta)Methyl glucoseME290688--832-
N1-methyladenosine1-MethyladenosineME290700--2120-
N1,N12-diacetylspermineN1,N12-DiacetylspermineME290701--3105-
(N(1) + N(8))-acetylspermidineAsparagineME290599--3080-
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME290702--2210-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME290703--2825-
N-acetylarginineN-AcetylarginineME290691--2245-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME290689--1035-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME290692--715-
N-acetylglutamateN-Acetylglutamic acidME290693--1050-
N-acetylglycineN-AcetylglycineME290694--826-
N-acetylhistidineN-AcetylhistidineME290695--2065-
N-acetyl-isoputreanineN-AcetylisoputreanineME290690--2305-
N-acetylputrescineN-AcetylputrescineME290696--2230-
nicotinamideNiacinamideME290704--1942-
N-methylpipecolateN-methyl pipecolic acidME290697--1932-
N-methylprolineN-Methyl-prolineME290698--1335-
N-trimethyl 5-aminovalerate-ME290699--2186-
ornithineOrnithineME290705--2800-
phenylalaninePhenylalanineME290706--2878-
phosphatePhosphoric acidME290707--576-
phosphoethanolaminePhosphoethanolamineME290708--700-
picolinatePicolinic acidME290709--910-
pipecolatePipecolic acidME290710--2200-
pro-hydroxy-proPro-hydroxyProME290711--2128-
prolineProlineME290712--1603-
propionylcarnitine (C3)CAR 3:0ME290713--2590-
pyroglutaminePyroglutamineME290714--1900-
quinolinateQuinolinic acidME290715--845-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME290716--1528-
sarcosineSarcosineME290718--1280-
serineSerineME290719--1239-
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME290717--900-
stachydrineStachydrineME290720--1440-
suberoylcarnitine (C8-DC)CAR DC8:0ME290721--2964-
succinylcarnitine (C4-DC)CAR DC4:0ME290722--2291-
taurineTaurineME290723--660-
theobromineTheobromineME290724--1600-
thioprolineThioprolineME290725--1250-
threonineThreonineME290726--1514-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME290727--1064-
trigonelline (N'-methylnicotinate)TrigonellineME290728--1388-
trimethylamine N-oxideTrimethylamine N-oxideME290729--2100-
tryptophanTryptophanME290730--2986-
tryptophan betaineLenticinME290731--2673-
tyrosineTyrosineME290732--2430-
ureaUreaME290733--700-
valineValineME290734--2479-


Analysis: Reversed phase NEGATIVE ION MODE/Metabolites set3

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME290749--5555-
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME290750--5780-
10-undecenoate (11:1n1)10-Hendecenoic acidME290751--5085.8-
12,13-DiHOME12,13-DiHOMEME290752--5137-
13-HODE + 9-HODEHODEME290753--5275-
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME290748--802-
15-methylpalmitate (i17:0)15-Methylpalmitic acidME290754--5695-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME290756--4240-
16-hydroxypalmitateJuniperic acidME290755--5236.2-
17alpha-hydroxypregnenolone 3-sulfate-ME290758--4800-
17-methylstearate (i19:0)Xi-17-Methyloctadecanoic acidME290757--5993-
1-arachidonoyl-GPI (20:4)LPI 20:4/0:0ME290735--5482-
1-dihomo-linolenylglycerol (20:3)MG 20:3/0:0/0:0ME290736--6400-
1-linolenoylglycerol (18:3)MG 18:3ME290737--6214-
1-linoleoyl-GPG (18:2)LPG 18:2/0:0ME290738--5516-
1-linoleoyl-GPI (18:2)LPI 18:2/0:0ME290739--5494-
1-myristoylglycerol (14:0)MG 16:3ME290740--6353.3-
1-oleoyl-GPG (18:1)LPG 18:1/0:0ME290741--5610-
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME290742--5599-
1-palmitoleoylglycerol (16:1)MG 16:1ME290743--6094-
1-palmitoyl-GPG (16:0)LPG 16:0/0:0ME290744--5570-
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME290745--5564-
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME290746--5816-
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME290747--5794-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME290782--3935-
21-hydroxypregnenolone monosulfate (2)-ME290783--4711-
2-aminoheptanoate2-Aminoheptanoic acidME290759--2384-
2-aminooctanoate2-Aminocaprylic acidME290760--3385-
2-aminophenol sulfate2-Aminophenyl sulfateME290761--1677-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME290762--1800-
2-hydroxyarachidate2-Hydroxyeicosanoic acidME290763--5990-
2-hydroxybehenate2-Hydroxy behenic acidME290764--6384-
2-hydroxydecanoate2-Hydroxycapric acidME290765--4840-
2-hydroxyhippurate (salicylurate)Salicyluric acidME290766--2184-
2-hydroxylaurate2-Hydroxylauric acidME290767--5211-
2-hydroxymyristate2-Hydroxymyristic acidME290768--5364-
2-hydroxynervonateHydroxynervonic acidME290769--6345-
2-hydroxyoctanoate2-Hydroxyoctanoic acidME290770--3736.8-
2-hydroxyoleate2-Hydroxyoleic acidME290771--5560-
2-hydroxypalmitate2-Hydroxypalmitic acidME290772--5511.2-
2-hydroxystearate2-Hydroxystearic acidME290773--5695-
2-linoleoylglycerol (18:2)MG 18:2ME290774--6250-
2-myristoylglycerol (14:0)MG 0:0/14:0/0:0ME290775--6230-
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME290776--6500-
2'-O-methyluridine2'-O-MethyluridineME290781--1831-
2-palmitoleoylglycerol (16:1)MG 16:1ME290777--6016-
2-palmitoylglycerol (16:0)MG 0:0/16:0/0:0ME290779--6400-
2-palmitoyl-GPC (16:0)LPC 0:0/16:0ME290778--6215-
2-stearoyl-GPE (18:0)LPE 0:0/18:0ME290780--6350-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME290784--1379-
3,4-methyleneheptanoate-ME290797--3807-
3,4-methyleneheptanoylcarnitine-ME290798--4096-
3beta,7alpha-dihydroxy-5-cholestenoate3beta,7alpha-Dihydroxy-5-cholestenoic acidME290800--5275-
3beta-hydroxy-5-cholestenoateCholestenoic acidME290799--5398-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME290785--4000-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME290786--2800-
3-hydroxydecanoate3-Hydroxydecanoic acidME290787--4634.7-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME290788--1725-
3-hydroxylaurate3-Hydroxydodecanoic acidME290789--5175-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME290790--3446-
3-hydroxyoleate-ME290791--5508-
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME290792--1595.5-
3-indoxyl sulfateIndoxyl sulfateME290793--2222.2-
3-methoxytyramine sulfate3-Methoxytyramine sulfateME290794--1722-
3-methyl-2-oxobutyrateKetoisovaleric acidME290795--1465-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME290796--2064.2-
4-allylphenol sulfate4-Allylphenol sulfateME290801--3805-
4-ethylphenylsulfate4-EthylphenolME290802--3580-
4-hydroxychlorothalonil4-HydroxychlorothalonilME290803--4427-
4-hydroxyhippurate4-Hydroxyhippuric acidME290804--1475-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME290805--1690-
4-methoxyphenol sulfate4-Methoxyphenol sulfateME290806--2412-
4-methyl-2-oxopentanoateKetoleucineME290807--2170-
4-methylcatechol sulfate-ME290808--2665-
4-vinylphenol sulfate4-HydroxystyreneME290809--3320-
5,6-dihydrothymineDihydrothymineME290815--1637.8-
5,6-dihydrouridine5,6-DihydrouridineME290816--1119-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME290817--3962-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME290818--5060-
5-bromotryptophan5-Bromo-tryptophanME290810--3525-
5-dodecenoate (12:1n7)5-Dodecenoic acidME290811--5224-
5-hydroxyhexanoate5-Hydroxycaproic acidME290812--1267-
5-methyluridine (ribothymidine)RibothymidineME290813--1778.1-
5-oxoprolinePyroglutamic acidME290814--738.5-
6-hydroxyindole sulfate6-Hydroxyindole sulfateME290819--2498-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME290820--965-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME290821--5288.1-
7-methylguanine7-MethylguanineME290822--1729.7-
9,10-DiHOME9,10-DiHOMEME290824--5180-
9-hydroxystearate9-Hydroxy stearic acidME290823--5384-
acisogaAcisogaME290825--2297-
aconitate [cis or trans]cis-Aconitic acidME290826--580-
adrenate (22:4n6)Adrenic acidME290827--5678-
alpha-CEHC sulfatealpha-CEHC sulfateME290828--3090-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME290829--1840-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME290831--3740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME290832--4065-
andro steroid monosulfate C19H28O6S (1)-ME290830--3871-
arachidate (20:0)Arachidic acidME290833--6240-
arachidonate (20:4n6)Arachidonic acidME290834--5535-
azelate (C9-DC)Azelaic acidME290835--1276-
beta-citrylglutamateBeta-Citryl-glutamic acidME290836--530-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME290837--1027-
caprate (10:0)Capric acidME290839--5090.7-
caproate (6:0)Caproic acidME290840--2713.7-
caprylate (8:0)Caprylic acidME290841--4362-
catechol sulfateCatechol sulfateME290842--1906-
C-glycosyltryptophanC-GlycosyltryptophanME290838--1777-
chenodeoxycholateChenodeoxycholic acidME290843--5264-
cholateCholic acidME290844--5165-
citrateCitric acidME290845--582-
cortisolCortisolME290846--4710-
cortisoneCortisoneME290847--4575-
dehydroisoandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME290848--4745-
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME290849--5730-
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME290850--5596-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME290851--6034-
docosadioate (C22-DC)Docosanedioic acidME290852--5291.8-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME290853--5525-
docosapentaenoate (n3 DPA; 22:5n3)DPAME290854--5571-
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME290855--5624.5-
dodecadienoate (12:2)Dodecadienoic acidME290856--5146-
dodecanedioate (C12-DC)Dodecanedioic acidME290857--2990-
dopamine 3-O-sulfateDopamine 3-O-sulfateME290858--1556.2-
EDTAEdetic acidME290859--643-
eicosanodioate (C20-DC)Eicosanedioic acidME290860--5200.9-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME290861--5450-
eicosenoate (20:1)cis-Gondoic acidME290862--5950-
erucate (22:1n9)cis-Erucic acidME290863--6355.6-
gamma-CEHCgamma-CEHCME290864--3843-
gamma-glutamylisoleucinegamma-GlutamylisoleucineME290865--1600-
gamma-glutamylleucinegamma-GlutamylleucineME290866--1685-
gamma-glutamylmethioninegamma-GlutamylmethionineME290867--1268-
gamma-glutamyltryptophangamma-GlutamyltryptophanME290868--1960-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME290869--1240-
gamma-glutamylvalinegamma-GlutamylvalineME290870--1072-
glycerolGlycerolME290871--758-
glycine conjugate of C10H14O2 (1)-ME290872--4335-
glycochenodeoxycholateGlycochenodeoxycholic acidME290873--5236.1-
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME290874--4806-
glycochenodeoxycholate sulfate-ME290875--4820-
glycocholateGlycocholic acidME290876--5163-
glycocholenate sulfateGlycocholenate sulfateME290877--4750-
glycohyocholateGlycohyocholic acidME290878--5020-
glycolithocholate sulfateSulfoglycolithocholic acidME290879--5011-
glycoursodeoxycholateGlycoursodeoxycholic acidME290880--5033-
guaiacol sulfateGuaiacol sulfateME290881--2344-
heptanoate (7:0)Heptylic acidME290882--3670-
hexadecadienoate (16:2n6)Hexadecadienoic acidME290883--5398-
hexadecanedioate (C16-DC)Hexadecanedioic acidME290884--4615-
hexadecatrienoate (16:3n3)7,10,13-Hexadecatrienoic acidME290885--5330-
hexadecenedioate (C16:1-DC)-ME290886--4380-
hexanoylglutamineHexanoylglutamineME290887--2780-
hippurateHippuric acidME290888--2106.9-
histidineHistidineME290889--755.9-
HWESASXX-ME290890--3722-
hydroxy-CMPF-ME290891--1516-
hyocholateHyocholic acidME290892--5046-
hypoxanthineHypoxanthineME290893--1291.2-
indole-3-carboxylic acidIndole-3-carboxylic acidME290894--1710-
indoleacetateIndoleacetic acidME290895--2200-
indolelactateIndolelactic acidME290896--2286-
inosineInosineME290897--1602.1-
isoleucylglycineIle-GlyME290898--1992-
isovalerylglycineIsovalerylglycineME290899--1950-
kynurenateKynurenic acidME290900--2224-
laurate (12:0)Lauric acidME290901--5300-
leucylglycineLeu-GlyME290902--2050-
linoleate (18:2n6)Linoleic acidME290903--5535-
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME290904--5450-
malateMalic acidME290905--615.6-
margarate (17:0)Margaric acidME290906--5731-
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME290907--2873-
myristate (14:0)Myristic acidME290908--5440-
myristoleate (14:1n5)Myristoleic acidME290909--5346.9-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME290932--1668-
N1-methylinosine1-MethylinosineME290933--1874-
N2-methylguanosine2-MethylguanosineME290934--1988-
N4-acetylcytidineN4-AcetylcytidineME290935--2040-
N6-acetyllysineN6-AcetyllysineME290936--1059-
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME290937--2164-
N6-methyladenosineN6-MethyladenosineME290938--2593-
N-acetyl-2-aminooctanoateN-Acetyl-2-aminooctanoic acidME290910--3943-
N-acetyl-beta-alanineN-Acetyl-beta-alanineME290911--773-
N-acetylcarnosineN-AcetylcarnosineME290912--1235-
N-acetylisoleucineN-AcetylisoleucineME290913--2325-
N-acetylleucineN-AcetylleucineME290914--2400-
N-acetylmethionineN-AcetylmethionineME290915--1787-
N-acetylphenylalanineN-AcetylphenylalanineME290916--2597-
N-acetyltaurineN-AcetyltaurineME290917--800-
N-acetylthreonineN-AcetylthreonineME290918--821.6-
N-acetyltryptophanN-Acetyl-tryptophanME290919--2630-
N-acetyltyrosineN-AcetyltyrosineME290920--1680-
N-acetylvalineN-AcetylvalineME290921--1704-
N-delta-acetylornithineN(5)-Acetyl-ornithineME290922--858-
N-formylanthranilic acidFormylanthranilic acidME290923--2150-
N-formylmethionineN-FormylmethionineME290924--1543.8-
N-formylphenylalanineN-FormylphenylalanineME290925--2360-
nisinate (24:6n3)THAME290939--5657-
N-oleoylserineNASer 18:1(9Z)ME290926--5600-
N-oleoyltaurineN-Oleoyl taurineME290927--5610-
nonadecanoate (19:0)Nonadecylic acidME290940--6068-
N-palmitoylglycineN-Palmitoyl glycineME290928--5580-
N-palmitoylserineN-Palmitoyl serineME290929--5557-
N-stearoylserineN-Stearoyl serineME290930--5777-
N-stearoyltaurineN-Stearoyl taurineME290931--5782-
octadecadienedioate (C18:2-DC)Octadecanedioic acidME290942--4676-
octadecanedioate (C18-DC)Octadecanedioic acidME290943--5043-
octadecenedioate (C18:1-DC)-ME290944--4875-
oleate/vaccenate (18:1)Oleic acidME290945--5655-
O-sulfo-L-tyrosineSulfotyrosineME290941--990-
oxalate (ethanedioate)Oxalic acidME290946--603-
palmitate (16:0)Palmitic acidME290948--5618-
palmitoleate (16:1n7)Palmitoleic acidME290949--5475-
pantothenatePantothenic acidME290950--1498.7-
p-cresol sulfatep-Cresol sulfateME290947--2890-
pentadecanoate (15:0)Pentadecylic acidME290951--5521-
perfluorooctanesulfonic acid (PFOS)Perfluorooctanesulfonic acidME290952--5233-
perfluorooctanoate (PFOA)Perfluorooctanoic acidME290953--5130-
phenol sulfatePhenyl hydrogen sulfateME290954--2156-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME290955--2330-
phenyllactate (PLA)Phenyllactic acidME290956--2208-
phenylpyruvatePhenylpyruvic acidME290957--2515-
phytanatePhytanic acidME290958--5908-
pregnenediol disulfate (C21H34O8S2)-ME290959--3868-
pregnenediol sulfate (C21H34O5S)Pregnenolone sulfateME290960--5000-
pregnenolone sulfatePregnenolone sulfateME290961--5100-
pseudouridinePseudouridineME290962--1100-
pyridoxate4-Pyridoxic acidME290963--2185-
pyruvatePyruvic acidME290964--732.4-
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME290965--1832.4-
sebacate (C10-DC)Sebacic acidME290967--1788-
S-methylcysteineMethylcysteineME290966--880-
stearate (18:0)Stearic acidME290968--5872-
stearidonate (18:4n3)Stearidonic acidME290969--5395-
suberate (C8-DC)Suberic acidME290970--804.3-
succinateSuccinic acidME290971--603-
sulfate-ME290972--616-
tartarateTartaric acidME290973--615.3-
tartronate (hydroxymalonate)Hydroxypropanedioic acidME290974--610-
taurochenodeoxycholateTaurochenodeoxycholic acidME290975--5250-
taurocholateTaurocholic acidME290976--5150-
taurocholenate sulfateTaurocholenate sulfateME290977--4750-
taurohyocholateTaurohyocholic acidME290978--5000-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME290979--5027-
tauroursodeoxycholateTauroursodeoxycholic acidME290980--5025-
tetradecanedioate (C14-DC)Tetradecanedioic acidME290981--4000-
thymol sulfate-ME290982--4410-
thyroxineThyroxineME290983--4808-
tyramine O-sulfateTyramine-O-sulfateME290984--1565-
urateUric acidME290985--757.1-
uridineUridineME290986--1457.6-
valylglutamineVal-GlnME290987--1484-
valylglycineVal-GlyME290988--1506-
vanillactateVanillactic acidME290989--1625-
vanillylmandelate (VMA)Vanillylmandelic acidME290990--941-
xanthurenateXanthurenic acidME290991--1476-


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-linoleoyl-GPA (18:2)LPA 18:2/0:0ME290992--1441-
1-oleoyl-GPA (18:1)LPA 18:1/0:0ME290993--1433-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME290996--1050-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME290994--1258-
2-isopropylmalate2-Isopropylmalic acidME290995--2605-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME290997--1443.3-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME290998--2850-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME290999--1444-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME291000--1619-
3-hydroxysebacate3-Hydroxysebacic acidME291001--2411-
3-methylglutaconate3E-Methylglutaconic acidME291002--2700-
4-hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME291003--3073-
allantoinAllantoinME291004--1672-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME291005--1052-
alpha-ketobutyrate3-Methyl pyruvic acidME291006--940-
alpha-ketoglutaramate2-Keto-glutaramic acidME291007--1916-
alpha-ketoglutarate2-Oxoglutaric acidME291008--2700-
arabinoseArabinoseME291009--1804.5-
arabitol/xylitolArabitolME291010--1932.4-
arabonate/xylonateArabinonic acid/Xylonic acidME291011--2700-
dihydroorotate4,5-Dihydroorotic acidME291012--1910-
erythritolErythritolME291013--1491-
erythronateErythronic acidME291014--2186-
ethylmalonateEthylmalonic acidME291015--2785-
fructoseFructoseME291016--2065-
fumarateFumaric acidME291017--3084-
galactonateGalactonic acidME291018--3085-
gentisateGentisic acidME291019--905-
gluconateGluconic acidME291020--2922-
glucoseGlucoseME291021--2342-
glucuronateGlucuronic acidME291022--3233.3-
glutarate (C5-DC)Glutaric acidME291023--2900-
glycerateGlyceric acidME291024--2070.4-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME291025--2430-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME291026--3003.1-
glycolate (hydroxyacetate)Glycolic acidME291027--1790.4-
guanidinoacetateGuanidoacetic acidME291028--2884-
gulonateGulonic acidME291029--2750-
heptenedioate (C7:1-DC)-ME291030--2816-
isocitric lactoneIsocitric acid lactoneME291031--2970-
lactateLactic acidME291032--1468.8-
maleateMaleic acidME291033--2640-
mannitol/sorbitolSorbitolME291034--2320-
mannoseMannoseME291035--2200-
methylsuccinateMethylsuccinic acidME291036--2800-
myo-inositolMyo-inositolME291037--3506.3-
N-acetylalanineN-AcetylalanineME291038--1564.8-
N-acetylglutamineN-AcetylglutamineME291039--2140-
N-acetylneuraminateN-Acetylneuraminic acidME291040--3072.6-
N-acetylserineN-AcetylserineME291041--2000-
orotateOrotic acidME291042--1638.1-
orotidineOrotidineME291043--2250-
quinateQuinic acidME291044--2432.9-
ribitolRibitolME291045--1789.6-
ribonateRibonic acidME291046--2425-
ribulonate/xylulonate-ME291047--2350-
salicylateSalicylic acidME291048--802-
succinimideSuccinimideME291049--2155-
threonateThreonic acidME291050--2384-
trans-urocanateUrocanic acidME291051--1882.5-
uracilUracilME291052--1089.7-
xanthineXanthineME291053--2023-
xyloseXyloseME291054--1727-


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