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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Adenosine 5^-Monophosphate (Amp)AMPME1520196083-1013-
XanthineXanthineME1523621188-1032-
N-AcetylglutamateN-Acetylglutamic acidME15220670914-1050-
N6-AcetyllysineN6-AcetyllysineME15223692832-1059-
BetaineBetaineME152048247-1064-
Trans-4-Hydroxyprolinetrans-4-HydroxyprolineME1523445810-1064-
Methyl Glucopyranoside (Alpha + Beta)Methyl glucoseME152191--1070-
UracilUracilME1523531174-1089.7-
DimethylglycineDimethylglycineME152082673-1104-
Alpha-Hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME15202899823-1126-
DecanoylcarnitineCAR 10:0ME15207510245190-1130-
4-HydroxyglutamateErythro-4-hydroxy-glutamic acidME151990439902-1141-
Beta-Hydroxyisovalerate3-Hydroxyisovaleric acidME15204469362-1149.8-
AspartateAspartic acidME1520405960-1165-
Thiamin DiphosphateThiamine diphosphateME1523361132-1195.1-
N-AcetylglucosaminylasparagineAspartylglycosamineME152205123826-1212-
AsparagineAsparagineME1520396267-1225-
LaurylcarnitineCAR 12:0ME15216610427569-1235-
SerineSerineME1523045951-1239-
Adenosine 3^-Monophosphate (3^-Amp)3'-AMPME15201641211-1245-
N-AcetyltaurineN-AcetyltaurineME152217159864-1249-
N1-Methyl-2-Pyridone-5-CarboxamideN1-Methyl-2-pyridone-5-carboxamideME15223169698-1250-
2-Hydroxybutyrate/2-Hydroxyisobutyrate-ME151949--1258-
Methionine SulfoxideMethionine sulfoxideME152190158980-1272-
XanthosineXanthosineME15236364959-1275-
Azelate (Nonanedioate)Azelaic acidME1520412266-1276-
Sarcosine (N-Methylglycine)SarcosineME1523021088-1280-
GlutamineGlutamineME1521185961-1291-
HypoxanthineHypoxanthineME152150790-1291.2-
3-(3-Hydroxyphenyl)Propionate Sulfate3-(3-Sulfooxyphenyl)propanoic acidME151965187488-1294-
2^-Deoxyadenosine 5^-MonophosphatedAMPME15193612599-1315-
Malonyl CoaMalonyl-CoAME15217810663-1325-
N-MethylprolineN-Methyl-prolineME152224557-1335-
MyristoylcarnitineCAR 14:0ME15219853477791-1350-
PhytosphingosinePhytosphingosineME152273122121-1367-
PterinPterinME15228173000-1370-
GlycineGlycineME152130750-1375-
Sphingosine 1-PhosphateSphingosine 1-phosphateME1523205283560-1375-
3-(4-Hydroxyphenyl)LactateHydroxyphenyllactic acidME1519669378-1379-
Trigonelline (N^-Methylnicotinate)TrigonellineME1523465570-1388-
SphingosineSphingosineME1523195353955-1393-
Ribulose/Xylulose-ME152296--1400-
SphinganineSphinganineME1523063126-1413-
1-Linolenoyl-Gpc (18:3)LPC 18:3ME151875--1422-
OleoylcarnitineCAR 18:1ME1522486441392-1423-
2-Palmitoleoyl-Gpc (16:1)LPC 0:0/16:1ME151958--1425-
PalmitoylcarnitineCAR 16:0ME152259461-1425-
Gamma-Glutamylglutaminegamma-GlutamylglutamineME152104150914-1430-
LinoleoylcarnitineCAR 18:2ME1521746450015-1430-
Nicotinamide Adenine Dinucleotide (Nad+)NADME1522415893-1434-
StachydrineStachydrineME152321115244-1440-
3-Hydroxybutyrate (Bhba)3-Hydroxybutyric acidME151970441-1443.3-
Coenzyme ACoenzyme AME152063317-1448-
1-Arachidonoyl-Gpe (20:4)LPE 20:4/0:0ME15186842607465-1450-
1-Palmitoleoyl-Gpc (16:1)LPC 16:1/0:0ME15189624779461-1450-
UridineUridineME1523566029-1457.6-
1-Arachidonoyl-Gpc (20:4)LPC 20:4/0:0ME151867--1460-
1-Linoleoyl-Gpc (18:2)LPC 18:2/0:0ME15187711988421-1465-
1-Linoleoyl-Gpe (18:2)LPE 18:2/0:0ME15187852925130-1482-
PalmitoylcholinePalmitoylcholineME152260151731-1482-
StearoylcarnitineCAR 18:0ME1523266426855-1485-
Adenosine 2^-Monophosphate (2^-Amp)Adenosine 2'-phosphateME15201394136-1497.7-
PantothenatePantothenic acidME1522616613-1498.7-
GlutamateGlutamic acidME152116611-1500-
2-Palmitoyl-Gpc (16:0)LPC 0:0/16:0ME15196015061532-1505-
RiboseRiboseME1522945779-1508.2-
ThreonineThreonineME1523396288-1514-
CitrullineCitrullineME1520629750-1520-
1-Palmitoyl-Gpc (16:0)LPC 16:0/0:0ME15191086554-1525-
Arachidonoyl EthanolamideArachidonoyl-EAME1520365281969-1535-
1-Oleoyl-Gpc (18:1)LPC 18:1/0:0ME15189016081932-1540-
N-FormylmethionineN-FormylmethionineME152221439750-1543.8-
1-Palmitoyl-Gpe (16:0)LPE 16:0/0:0ME1519119547069-1544-
1-(1-Enyl-Palmitoyl)-Gpc (P-16:0)LPC P-16:0 or LPC O-16:1ME15186110917802-1547-
1-Oleoyl-Gpe (18:1)LPE 18:1/0:0ME1518919547071-1554-
Dopamine Sulfate (2)-ME152088--1556.2-
1-(1-Enyl-Palmitoyl)-Gpe (P-16:0)LPE P-16:0 or LPE O-16:1ME151862--1558-
1-(1-Enyl-Oleoyl)-Gpe (P-18:1)LPE P-18:1 or LPE O-18:2ME151853--1566-
N4-AcetylcytidineN4-AcetylcytidineME152234107461-1580-
2^-DeoxyuridineDeoxyuridineME15194013712-1586-
PhosphopantetheinePantetheine 4'-phosphateME152272987-1596.9-
InosineInosineME1521556021-1602.1-
ProlineProlineME152276145742-1603-
1-Stearoyl-Gpc (18:0)LPC 18:0/0:0ME151923497299-1606-
3-Hydroxyisobutyrate3-Hydroxyisobutyric acidME15197587-1619.1-
1-Stearoyl-Gpe (18:0)LPE 18:0/0:0ME1519249547068-1626-
Retinol (Vitamin A)RetinolME152290445354-1636-
OrotateOrotic acidME152251967-1638.1-
ThymineThymineME1523421135-1654-
3-(4-Hydroxyphenyl)PropionateDesaminotyrosineME15196710394-1670-
AllantoinAllantoinME152026204-1672-
2-Piperidinone2-PiperidinoneME15196312665-1675-
2-Aminophenol Sulfate2-Aminophenyl sulfateME151944181670-1677-
2^-DeoxyinosineDeoxyinosineME15193965058-1688-
4-Hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME151991979-1690.1-
Acetyl CoaAcetyl-CoAME152007444493-1691-
AlanineAlanineME1520245950-1700-
3-Hydroxybutyryl Coa-ME151971521-1715-
Thiamin (Vitamin B1)ThiamineME1523351130-1726-
GuanosineGuanosineME1521396802-1728-
Gamma-Glutamylthreoninegamma-GlutamylthreonineME152109--1750-
Homostachydrine(S)-HomostachydrineME152148441447-1750-
2^-DeoxyguanosineDeoxyguanosineME151938187790-1751-
4-Hydroxybutyrate (Ghb)4-Hydroxybutyric acidME15198910413-1765-
Stearoyl EthanolamideStearoyl-EAME15232427902-1787-
RibitolRibitolME1522916912-1789.6-
2-Hydroxy-3-Methylvalerate2-Hydroxy-3-methyl-pentanoic acidME151947164623-1800-
S-Adenosylhomocysteine (Sah)S-AdenosylhomocysteineME152297439155-1832.4-
Alpha-Hydroxyisocaproate2-Hydroxyisocaproic acidME15202783697-1840-
N-Delta-AcetylornithineN(5)-Acetyl-ornithineME1522209920500-1877-
GuanidinosuccinateGuanidinosuccinic acidME15213797856-1892-
PyroglutaminePyroglutamineME152287134508-1900-
Catechol SulfateCatechol sulfateME1520563083879-1906-
1-Lignoceroyl-Gpc (24:0)LPC 24:0/0:0ME151874--1907-
2-Aminoadipatealpha-Aminoadipic acidME151941469-1912-
Betaine AldehydeBetaine aldehydeME152049249-1915-
7-Hydroxycholesterol (Alpha Or Beta)7beta-HydroxycholesterolME152003--1930-
N6-SuccinyladenosineSuccinyladenosineME152239--1930-
Pyridoxamine PhosphatePyridoxamine 5'-phosphateME1522851053-1932-
Arabitol/XylitolArabitolME152032--1932.4-
Beta-Alaninebeta-AlanineME152043239-1939-
1-Methylnicotinamide1-Methyl nicotinamideME15188410129985-1940-
NicotinamideNiacinamideME152240936-1942-
CreatineCreatineME152065586-1947-
IsovalerylglycineIsovalerylglycineME152163546304-1950-
Adenosine 3^-5^-Cyclic Monophosphate (Camp)3',5' cyclic AMPME1520146076-1952.2-
S-MethylcysteineMethylcysteineME15230024417-1955-
CholineCholineME152059305-1961-
ThymidineThymidineME1523405789-1963.7-
1-Linoleoyl-2-Arachidonoyl-Gpc (18:2/20:4)-ME151876--1969-
CarnitineCarnitineME15205410917-1978-
N-AcetylmethionineN-AcetylmethionineME152212448580-1980-
Sphingomyelin (D18:1/14:0- D16:1/16:0)SM 18:1;O2/14:0ME15230711433862-1998-
N-Alpha-AcetylornithineN-AcetylornithineME152219439232-2000-
Sphingomyelin (D18:2/16:0- D18:1/16:1)-ME152316--2002-
1-Palmitoleoyl-2-Linoleoyl-Gpc (16:1/18:2)PC 16:1/18:2ME151895--2003-
1-2-Dilinoleoyl-Gpc (18:2/18:2)PC 18:2/18:2ME1518475288075-2006-
3^-Dephosphocoenzyme A3'-Dephospho-CoAME151964444485-2013-
FructoseFructoseME1520975984-2022.2-
GuanineGuanineME152138764-2032-
Imidazole LactateImidazolelactic acidME152151440129-2040-
Nicotinamide RibosideNicotinamide ribosideME152243439924-2040-
Gamma-Aminobutyrate (Gaba)gamma-Aminobutyric acidME152102119-2048-
Deoxycarnitine3-DehydroxycarnitineME152077134-2052-
4-ImidazoleacetateImidazoleacetic acidME15199296215-2055-
CreatinineCreatinineME152066588-2055-
ProlylglutaminePro-GlnME152277--2056-
CytosineCytosineME152074597-2060-
1-MethylimidazoleacetateMethylimidazoleacetic acidME15188375810-2064-
N-AcetylhistidineN-AcetylhistidineME15221075619-2065-
GlycerateGlyceric acidME152123752-2070.4-
Sphingomyelin (D18:1/15:0- D16:1/17:0)-ME152308--2082-
OphthalmateOphthalmic acidME1522497018721-2085-
MalonylcarnitineCAR DC3:0ME15217922833583-2086-
1-Palmitoyl-2-Arachidonoyl-Gpc (16:0/20:4)PC 16:0_20:4ME15189810747814-2091-
Trimethylamine N-OxideTrimethylamine N-oxideME1523471145-2100-
HippurateHippuric acidME152143464-2106.9-
N1-Methyladenosine1-MethyladenosineME15223227476-2120-
CytidineCytidineME1520696175-2124-
S-LactoylglutathioneS-LactoylglutathioneME152299440018-2124-
Pro-Hydroxy-ProPro-hydroxyProME15227511673055-2128-
ProlylglycinePro-GlyME1522787408076-2136-
1-MethylguanidineMethylguanidineME15188110111-2149-
1-(1-Enyl-Palmitoyl)-2-Arachidonoyl-Gpc (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME151854--2154-
Phenol SulfatePhenyl hydrogen sulfateME15226374426-2156-
1-Palmitoyl-2-Linoleoyl-Gpc (16:0/18:2)PC 16:0/18:2ME1519025287971-2160-
1-Palmitoyl-2-Palmitoleoyl-Gpc (16:0/16:1)PC 16:0/16:1ME151908--2160-
1-Oleoyl-2-Linoleoyl-Gpc (18:1/18:2)PC 18:1_18:2ME151887--2165-
Sphingomyelin (D18:1/18:1- D18:2/18:0)SM 18:1;O2/18:1ME1523106443882-2167-
AdenosineAdenosineME15201260961-2169-
Glutamate- Gamma-Methyl Ester-ME15211768662-2170-
7-Methylguanine7-MethylguanineME15200411361-2175-
Pyridoxate4-Pyridoxic acidME1522866723-2185-
ErythronateErythronic acidME1520932781043-2186-
2^-DeoxycytidineDeoxycytidineME15193713711-2193-
1-Palmitoyl-2-Arachidonoyl-Gpe (16:0/20:4)PE 16:0/20:4ME1518999546800-2198-
MannoseMannoseME15218418950-2200-
PipecolatePipecolic acidME152274849-2200-
S-MethylglutathioneS-MethylglutathioneME1523013605667-2200-
Phenyllactate (Pla)Phenyllactic acidME1522683848-2208-
N2-N2-DimethylguanosineN2,N2-DimethylguanosineME15223392919-2210-
3-Aminoisobutyrate3-Aminoisobutanoic acidME15196864956-2215-
5-Aminovalerate5-Aminopentanoic acidME151995138-2220-
AcetylcholineAcetylcholineME152009--2220-
AdenineAdenineME152011190-2221-
3-Indoxyl SulfateIndoxyl sulfateME15198110258-2222.2-
1-(1-Enyl-Palmitoyl)-2-Linoleoyl-Gpc (P-16:0/18:2)PC P-16:0/18:2 or PC O-16:1/18:2ME151856--2226-
5-Methylcytidine5-MethylcytidineME15199992918-2227-
N-AcetylarginineN-AcetylarginineME15220167427-2245-
OrotidineOrotidineME15225292751-2250-
Mannitol/SorbitolSorbitolME1521835780-2260-
Imidazole PropionateImidazole propanoateME15215270630-2263-
1-(1-Enyl-Palmitoyl)-2-Arachidonoyl-Gpe (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME151855--2270-
1-Oleoyl-2-Linoleoyl-Gpe (18:1/18:2)PE 18:1/18:2ME1518889546753-2270-
CystathionineCystathionineME152067439258-2270-
1-Palmitoyl-2-Linoleoyl-Gpe (16:0/18:2)PE 16:0/18:2ME1519039546747-2275-
AcetylcarnitineCAR 2:0ME1520081-2282-
N-AcetylhistamineN-AcetylhistamineME15220969602-2287-
Palmitoyl Dihydrosphingomyelin (D18:0/16:0)SM 18:0;O2/16:0ME1522569939965-2290-
SuccinylcarnitineCAR DC4:0ME152327--2291-
TryptophanTryptophanME1523486305-2291-
Riboflavin (Vitamin B2)RiboflavinME152292493570-2292-
ValylglutamineVal-GlnME1523595253209-2295-
1-Stearoyl-2-Arachidonoyl-Gpc (18:0/20:4)PC 18:0/20:4ME15191516219824-2300-
8-Hydroxyoctanoate8-Hydroxyoctanoic acidME15200569820-2300.4-
5-Methyl-2^-Deoxycytidine5-Methyl-2'-deoxycytidineME151998440055-2303-
Galactitol (Dulcitol)GalactitolME15210011850-2309.7-
5-(2-Hydroxyethyl)-4-Methylthiazole5-(2-Hydroxyethyl)-4-methylthiazoleME1519941136-2310-
Sphingomyelin (D18:1/17:0- D17:1/18:0- D19:1/16:0)-ME152309--2312-
PhenylacetylglycinePhenylacetylglycineME15226468144-2317-
4-Guanidinobutanoate4-Guanidinobutanoic acidME151986500-2320-
N-FormylphenylalanineN-FormylphenylalanineME152222759256-2336-
3-Hydroxybutyrylcarnitine (2)CAR 4:0;3OHME151973--2340-
GlucoseGlucoseME15211379025-2342-
PyridoxalPyridoxalME1522831050-2343-
1-2-Dioleoyl-Gpc (18:1/18:1)-ME15184810350317-2346-
1-(1-Enyl-Palmitoyl)-2-Linoleoyl-Gpe (P-16:0/18:2)PE P-16:0/18:2 or PE O-16:1/18:2ME151857--2351-
1-Palmitoyl-2-Oleoyl-Gpc (16:0/18:1)PC 16:0/18:1ME1519056436017-2358-
1-2-Dipalmitoyl-Gpc (16:0/16:0)PC 16:0/16:0ME151850452110-2365-
Thiamin MonophosphateThiamine monophosphateME1523373382778-2378-
1-Stearoyl-2-Linoleoyl-Gpc (18:0/18:2)PC 18:0/18:2ME151919--2380-
Sphingomyelin (D18:1/20:1- D18:2/20:0)-ME152312--2383-
ThreonateThreonic acidME152338151152-2384-
Flavin Mononucleotide (Fmn)FMNME152096710-2390-
Glutarylcarnitine (C5)CAR 5:0ME15212071464488-2393-
3-Hydroxybutyrylcarnitine (1)CAR 4:0;3OHME15197253481617-2400-
N-AcetylleucineN-AcetylleucineME15221170912-2400-
Stearoyl Sphingomyelin (D18:1/18:0)SM 18:1;O2/18:0ME1523256453725-2400-
1-Stearoyl-2-Arachidonoyl-Gpe (18:0/20:4)PE 18:0/20:4ME1519165289133-2424-
Flavin Adenine Dinucleotide (Fad)FADME152095643975-2425-
RibonateRibonic acidME1522935460677-2425-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME152127439964-2430-
TyrosineTyrosineME1523496057-2430-
2-Methylmalonyl CarnitineCAR DC3:0;2MeME15195653481628-2440-
1-(1-Enyl-Palmitoyl)-2-Oleoyl-Gpc (P-16:0/18:1)PC P-16:0/18:1 or PC O-16:1/18:1ME151858--2443-
ValylglycineVal-GlyME152360136487-2444-
1-(1-Enyl-Palmitoyl)-2-Palmitoyl-Gpc (P-16:0/16:0)PC P-16:0/16:0 or PC O-16:1/16:0ME15186011146967-2454-
Cysteine-Glutathione DisulfideS-Glutathionyl-cysteineME1520684247235-2465-
ValineValineME1523586287-2479-
1-2-Dioleoyl-Gpe (18:1/18:1)PC 16:0/16:0ME1518499546757-2485-
1-Palmitoyl-2-Oleoyl-Gpe (16:0/18:1)PE 16:0/18:1ME1519065283496-2509-
MaleateMaleic acidME152177444266-2510-
1-(1-Enyl-Stearoyl)-2-Arachidonoyl-Gpe (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME1518639547058-2511-
4-Cholesten-3-OneCholestenoneME15198591477-2520-
1-Stearoyl-2-Linoleoyl-Gpe (18:0/18:2)PE 18:0/18:2ME1519209546749-2522-
Alpha-Tocopherolalpha-TocopherolME15203014985-2522-
MethionineMethionineME1521886137-2526-
1-Stearoyl-2-Arachidonoyl-Gps (18:0/20:4)PS 18:0/20:4ME151918--2565-
Beta-HydroxyisovaleroylcarnitineCAR 4:0;OH,MeME152045--2584-
PropionylcarnitineCAR 3:0ME152279107738-2590-
N6-CarboxymethyllysineN(6)-Carboxymethyl-lysineME152238--2592-
N-AcetylphenylalanineN-AcetylphenylalanineME15221574839-2597-
1-(1-Enyl-Palmitoyl)-2-Oleoyl-Gpe (P-16:0/18:1)PE P-16:0/18:1 or PE O-16:1/18:1ME151859--2600-
IndolelactateIndolelactic acidME15215392904-2600-
Sulforaphane-Cysteine-Glycine-ME152329--2610-
LeucylglutamineLeu-GlnME1521694305457-2620-
Glycosyl-N-Palmitoyl-SphingosineHexCer 18:1;O2/16:0ME152131--2623-
1-(1-Enyl-Stearoyl)-2-Linoleoyl-Gpe (P-18:0/18:2)PE P-18:0/18:2 or PE O-18:1/18:2ME151864--2633-
Sphingomyelin (D18:2/24:1- D18:1/24:2)-ME152318--2635-
1-Stearoyl-2-Oleoyl-Gpc (18:0/18:1)PC 18:0/18:1ME151921--2644-
PyruvatePyruvic acidME1522891060-2650-
1-Palmitoyl-2-Stearoyl-Gpc (16:0/18:0)PC 16:0/18:0ME151909--2653-
Arabonate/Xylonate-ME152033--2664.6-
Sphingomyelin (D18:1/22:1- D18:2/22:0- D16:1/24:1)-ME152314--2666-
Glutathione- Oxidized (Gssg)Oxidized glutathioneME15212165359-2667-
3-Methylhistidine3-MethylhistidineME15198264969-2670-
C-GlycosyltryptophanC-GlycosyltryptophanME15205010981970-2685-
Sphingomyelin (D18:1/20:0- D16:1/22:0)-ME152311--2685-
N6-CarboxyethyllysineN(6)-(2-Carboxyethyl)-lysineME152237--2695-
3-Hydroxy-3-Methylglutarate3-Hydroxymethylglutaric acidME1519691662-2700-
Alpha-Ketoglutarate2-Oxoglutaric acidME15202951-2700-
Gamma-Glutamylvalinegamma-GlutamylvalineME1521107015683-2700-
CholesterolCholesterolME15205811025495-2707-
Caproate (6:0)Caproic acidME1520528892-2713.7-
Gamma-Glutamyl-Epsilon-LysineEpsilon-(gamma-Glutamyl)-lysineME15210365254-2717-
IsoleucylglycineIle-GlyME152162342532-2719-
GlycylvalineGly-ValME15213597417-2734-
KynurenineKynurenineME152164161166-2739-
Gamma-Glutamylhistidinegamma-GlutamylhistidineME1521057017195-2740-
ArgininosuccinateArgininosuccinic acidME15203816950-2745-
Gulonic AcidGulonic acidME1521419794176-2750-
PyrralinePyrralineME152288--2750-
5-Methylthioadenosine (Mta)5'-MethylthioadenosineME152000439176-2752-
1-Methylhistidine1-MethylhistidineME15188292105-2755-
HypotaurineHypotaurineME152149107812-2763.4-
LeucylglycineLeu-GlyME15217079070-2778-
EthylmalonateEthylmalonic acidME15209411756-2785-
5-Hydroxylysine5-HydroxylysineME1519971029-2790-
Sphingomyelin (D18:1/21:0- D17:1/22:0- D16:1/23:0)-ME152313--2793-
Indolepropionate3-Indolepropionic acidME1521543744-2795-
IsoleucineIsoleucineME1521616306-2800-
MethylsuccinateMethylsuccinic acidME15219410349-2800-
OrnithineOrnithineME1522506262-2800-
LeucylalanineLeu-AlaME152168259321-2801-
IsobutyrylcarnitineCAR 3:0;2MeME152159168379-2810-
ArginineArginineME152037232-2825-
N6-N6-N6-TrimethyllysineN-6-TrimethyllysineME152235440120-2825-
N-MonomethylarginineTarginineME152225132862-2845-
Sphingomyelin (D18:2/23:0- D18:1/23:1- D17:1/24:1)-ME152317--2845-
Dimethylarginine (Sdma + Adma)DimethylarginineME152081123831-2850-
LysineLysineME1521755962-2850-
1-Stearoyl-2-Oleoyl-Gpe (18:0/18:1)PE 18:0/18:1ME151922--2858-
LeucineLeucineME1521676106-2864-
CampesterolCampesterolME152051173183-2873-
HomoserineHomoserineME15214712647-2875.8-
PhenylalaninePhenylalanineME1522656140-2878-
HomoarginineHomoarginineME1521469085-2882-
GuanidinoacetateGuanidoacetic acidME152136763-2884-
P-Cresol Sulfatep-Cresol sulfateME1522534615423-2890-
N-Palmitoyl-Sphingosine (D18:1/16:0)Cer 18:1;O2/16:0ME1522285283564-2893-
PhenylalanylglycinePhe-GlyME15226798207-2898-
Glutarate (Pentanedioate)Glutaric acidME152119743-2900-
HexanoylglycineHexanoylglycineME15214299463-2900-
PhenylalanylalaninePhe-AlaME1522666993123-2909-
GluconateGluconic acidME15211110690-2922-
AnserineAnserineME152031112072-2924-
Gamma-Glutamylisoleucinegamma-GlutamylisoleucineME15210614253342-2940-
1-(1-Enyl-Stearoyl)-2-Oleoyl-Gpe (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME151865--2950-
TiglylcarnitineCAR 4:1;2MeME15234322833596-2962-
Gamma-Glutamylleucinegamma-GlutamylleucineME152107151023-2991-
Gamma-Glutamylphenylalaninegamma-GlutamylphenylalanineME152108111299-2992-
2-Hydroxyadipate2-Hydroxyadipic acidME151948193530-3000-
GlycylisoleucineGly-IleME15213388079-3002-
S-Adenosylmethionine (Sam)S-AdenosylmethionineME15229834755-3002-
PutrescinePutrescineME1522821045-3027-
Sphingomyelin (D18:1/24:1- D18:2/24:0)-ME152315--3033-
HistamineHistamineME152144774-3035-
Glycosyl-N-Stearoyl-SphingosineHexCer 18:1;O2/18:0ME152132--3053-
Beta-SitosterolSitosterolME152047222284-3054-
AlanylleucineAla-LeuME152025259583-3055-
GlycylleucineGly-LeuME15213492843-3059-
1-2-Distearoyl-Gpc (18:0/18:0)PC 18:0/18:0ME15185194190-3066-
N-AcetylneuraminateN-Acetylneuraminic acidME152214439197-3072.6-
Glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME152126123874-3075-
Methylmalonate (Mma)Methylmalonic acidME152192487-3078.4-
1-Palmitoyl-2-Linoleoyl-Glycerol (16:0/18:2)DG 16:0_18:2ME1519019543695-3080-
Behenoyl Sphingomyelin (D18:1/22:0)SM 18:1;O2/22:0ME152042--3083-
FumarateFumaric acidME152099444972-3084-
GalactonateGalactonic acidME152101128869-3085-
N-Palmitoyl-Sphinganine (D18:0/16:0)Cer 18:0;O2/16:0ME1522275283572-3090-
1-Oleoyl-2-Linoleoyl-Glycerol (18:1/18:2)DG 18:1_18:2ME151886--3115-
ValylleucineVal-LeuME152361352039-3138-
N-Acetylaspartate (Naa)N-Acetylaspartic acidME15220365065-3143-
2-Aminoheptanoate2-Aminoheptanoic acidME151942227939-3160-
1-Oleoyl-3-Linoleoyl-Glycerol (18:1/18:2)DG 18:1_18:2ME151889--3223-
GlucuronateGlucuronic acidME152115444791-3233.3-
4-Hydroxy-Nonenal-Glutathione-ME151988--3319.2-
4-Vinylphenol Sulfate4-HydroxystyreneME1519936426766-3320-
MaltoseMaltoseME15218010991489-3329.4-
2-Hydroxyglutarate2-Hydroxyglutaric acidME15195143-3352.8-
3-Hydroxyoctanoate3-Hydroxyoctanoic acidME15197826613-3446-
Myo-InositolMyo-inositolME152195892-3506.3-
Sulfate-ME1523281118-3728-
2-Hydroxyoctanoate2-Hydroxyoctanoic acidME15195294180-3736.8-
MethylphosphateMethanolphosphateME15219313130-3760.1-
Glycerophosphoinositolsn-Glycero-3-phosphoinositolME152128--3850-
Cytidine 5^-Monophospho-N-Acetylneuraminic Acid-ME152072448209-3900-
Glycerol 3-Phosphatesn-Glycero-3-phosphateME152125754-3938.7-
Udp-GlucoseUDP-glucoseME1523518629-3950-
Udp-GalactoseUDP-galactoseME15235018068-4000-
AcetylphosphateAcetylphosphateME152010186-4013.9-
Ribose 1-PhosphateRibose 1-phosphateME152295439236-4025-
N-Acetylglucosamine 6-PhosphateN-Acetyl-glucosamine 6-phosphateME152204439219-4114-
Cytidine 5^-DiphosphocholineCDP-cholineME15207013804-4200-
Cytidine-5^-DiphosphoethanolamineCDP-EthanolamineME152073123727-4210-
Fructose-6-PhosphateFructose 6-phosphateME15209869507-4261.4-
2-Phosphoglycerate2-Phosphoglyceric acidME15196259-4346-
Udp-GlucuronateUDP-glucuronic acidME15235217473-4355-
Caprylate (8:0)Caprylic acidME152053379-4362-
3-Phosphoglycerate3-Phosphoglyceric acidME151983724-4410-
Mannose-6-PhosphateMannose 6-phosphateME152185439198-4510-
Glucosamine-6-PhosphateGlucosamine 6-phosphateME152112439217-4521.5-
Glucose 6-PhosphateGlucose 6-phosphateME1521145958-4537-
3-Hydroxydecanoate3-Hydroxydecanoic acidME15197426612-4634.7-
4-Hydroxy-2-Nonenal-ME1519871693-4745-
Tauro-Beta-MuricholateTauro-beta-muricholic acidME152332168408-4774-
Inositol 1-Phosphate (I1P)Inositol 3-phosphateME152157440194-4785-
Beta-Muricholatebeta-Muricholic acidME1520465283853-4794-
2-Hydroxydecanoate2-Hydroxycapric acidME15195021488-4840-
CorticosteroneCorticosteroneME1520645753-5040-
12-13-Dihome12,13-DiHOMEME15193010236635-5137-
TaurocholateTaurocholic acidME1523336675-5150-
CholateCholic acidME152057221493-5165-
3-Hydroxylaurate3-Hydroxydodecanoic acidME15197694216-5175-
9-10-Dihome9,10-DiHOMEME1520069966640-5180-
5-Dodecenoate (12:1N7)5-Dodecenoic acidME1519965312378-5224-
13-Hode + 9-HodeHODEME15193243013-5275-
14-Hdohe/17-Hdohe-ME151933--5296-
12-Hete12-HETEME1519315312983-5326-
3-Hydroxymyristate3-Hydroxytetradecanoic acidME15197716064-5335-
Myristoleate (14:1N5)Myristoleic acidME1521975281119-5346.9-
Stearidonate (18:4N3)Stearidonic acidME1523235312508-5395-
Myristate (14:0)Myristic acidME15219611005-5440-
Eicosapentaenoate (Epa; 20:5N3)Eicosapentaenoic acidME152089446284-5450-
Linolenate [Alpha Or Gamma; (18:3N3 Or 6)]Octadecatrienoic acidME1521735280934-5450-
Palmitoleate (16:1N7)Palmitoleic acidME152255445638-5475-
3-Hydroxypalmitate3-Hydroxyhexadecanoic acidME151979301590-5476-
1-Arachidonoyl-Gpi (20:4)LPI 20:4/0:0ME151869--5482-
1-Linoleoyl-Gpi (18:2)LPI 18:2/0:0ME151879--5494-
Isobar: Fructose 1-6-Diphosphate- Glucose 1-6-Diph...-ME152158--551-
Pentadecanoate (15:0)Pentadecylic acidME15226213849-5521-
Docosahexaenoate (Dha; 22:6N3)LPC 22:6ME152084445580-5525-
Adenosine 5^-Diphosphoribose (Adp-Ribose)-ME152018192-553-
Arachidonate (20:4N6)Arachidonic acidME152035444899-5535-
Linoleate (18:2N6)Linoleic acidME1521725280450-5535-
10-Heptadecenoate (17:1N7)10Z-Heptadecenoic acidME1519285312435-5555-
N-PalmitoyltaurineN-Palmitoyl taurineME152229--5560-
1-Palmitoyl-Gpi (16:0)LPI 16:0/0:0ME151913--5564-
1-Palmitoyl-Gpg (16:0)LPG 16:0/0:0ME1519123300276-5570-
Docosapentaenoate (N3 Dpa; 22:5N3)DPAME1520856441454-5571-
Dihomo-Linolenate (20:3N3 Or N6)Dihomo-gamma-linolenic acidME1520795280581-5596-
1-Oleoyl-Gpi (18:1)LPI 18:1/0:0ME151893--5599-
AdenylosuccinateAdenylsuccinic acidME152021195-560-
1-Oleoyl-Gpg (18:1)LPG 18:1/0:0ME151892--5610-
N-OleoyltaurineN-Oleoyl taurineME1522266437033-5610-
Palmitate (16:0)Palmitic acidME152254985-5618-
Docosapentaenoate (N6 Dpa; 22:5N6)Docosapentaenoic acid (22n-6)ME1520866441454-5624.5-
Mead Acid (20:3N9)ETrE(5Z,8Z,11Z)ME1521875312531-5650-
Oleate/Vaccenate (18:1)Oleic acidME152246--5655-
3-Hydroxystearate3-Hydroxystearic acidME1519805282907-5674-
Adrenate (22:4N6)Adrenic acidME1520225497181-5678-
15-Methylpalmitate15-Methylpalmitic acidME15193417903417-5695-
2-Hydroxystearate2-Hydroxystearic acidME15195369417-5695-
Dihomo-Linoleate (20:2N6)11Z,14Z-Eicosadienoic acidME1520786439848-5730-
Margarate (17:0)Margaric acidME15218610465-5731-
2-Methylcitrate/HomocitrateHomocitric acidME151955--575-
Adenosine 3^-5^-DiphosphateAdenosine 3',5'-diphosphateME152015159296-575-
N-Acetyl-Aspartyl-Glutamate (Naag)N-Acetyl-Asp-GluME1521995255-575.3-
Tricarballylate1,2,3-Propanetricarboxylic acidME15234514925-578-
10-Nonadecenoate (19:1N9)Nonadeca-10Z-enoic acidME1519295312513-5780-
N-StearoyltaurineN-Stearoyl taurineME152230168274-5782-
1-Stearoyl-Gpi (18:0)LPI 18:0/0:0ME151926--5794.3-
Xanthosine 5^-Monophosphate (Xmp)XMPME15236473323-580-
1-Stearoyl-Gps (18:0)LPS 18:0/0:0ME1519279547101-5800-
1-Stearoyl-Gpg (18:0)LPG 18:0/0:0ME151925--5816-
CitrateCitric acidME152061311-582-
Docosatrienoate (22:3N3)13,16,19-Docosatrienoic acidME1520875312556-5823-
6-Phosphogluconate6-Phosphogluconic acidME15200291493-583.9-
Stearate (18:0)Stearic acidME1523225281-5872-
Phosphoenolpyruvate (Pep)Phosphoenolpyruvic acidME1522701005-587.3-
Uridine 5^-Monophosphate (Ump)UMPME1523576030-590-
Eicosenoate (20:1)cis-Gondoic acidME1520905282768-5950-
17-MethylstearateXi-17-Methyloctadecanoic acidME1519353083779-5993-
Sedoheptulose-7-PhosphateSedoheptulose 7-phosphateME152303616-599.6-
2-Docosahexaenoylglycerol (22:6)MG 22:6ME151946--6000-
2-Palmitoleoylglycerol (16:1)MG 16:1ME151959--6016-
Dihydroxyacetone Phosphate (Dhap)Dihydroxyacetone phosphateME152080668-603-
Docosadienoate (22:2N6)13Z,16Z-Docosadienoic acidME1520835282807-6034-
Nonadecanoate (19:0)Nonadecylic acidME15224412591-6068-
PhosphatePhosphoric acidME1522691061-608-
1-Palmitoleoylglycerol (16:1)MG 16:1ME151897--6094-
Tartronate (Hydroxymalonate)Hydroxypropanedioic acidME15233045-610-
Palmitoyl EthanolamidePalmitoyl-EAME1522574671-6100-
1-Docosahexaenoylglycerol (22:6)MG 22:6ME151873--6150-
MalateMalic acidME152176525-615.6-
2-Arachidonoylglycerol (20:4)MG 20:4ME1519455282280-6170-
2-Oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME1519575319879-6200-
2-Palmitoylglycerol (16:0)MG 0:0/16:0/0:0ME151961123409-6200-
Oleoyl EthanolamideOleoyl-EAME1522475283454-6200-
Linoleamide (18:2N6)LinoleamideME1521716435901-6205-
1-Dihomo-Linolenylglycerol (20:3)MG 20:3/0:0/0:0ME151871--6220-
2-Linoleoylglycerol (18:2)MG 18:2ME1519545365676-6250-
Arachidate (20:0)Arachidic acidME15203410467-6295-
1-Oleoylglycerol (18:1)MG 18:1/0:0/0:0ME1518945283468-6300-
1-Myristoylglycerol (14:0)MG 16:3ME15188579050-6353.3-
Erucate (22:1N9)cis-Erucic acidME1520925281116-6355.6-
N-GlycolylneuraminateN-GlycoloylneuraminateME152223123802-636-
PhosphoethanolaminePhosphoethanolamineME1522711015-638-
1-Palmitoylglycerol (16:0)MG 16:0/0:0/0:0ME15191414900-6400-
1-Arachidonylglycerol (20:4)MG 20:4ME1518705282281-6450-
1-Linoleoylglycerol (18:2)MG 18:2ME1518805283469-6477-
Inosine 5^-Monophosphate (Imp)IMPME1521568582-650-
1-(1-Enyl-Stearoyl)-Gpe (P-18:0)LPE P-18:0 or LPE O-18:1ME151866--6500-
OleamideOleamideME1522455283387-6581.5-
TaurineTaurineME1523311123-660-
Glycerophosphorylcholine (Gpc)sn-Glycero-3-phosphocholineME15212971920-672-
Adenosine 5^-Diphosphate (Adp)ADPME1520176022-680-
1-Dihomo-Linoleoylglycerol (20:2)MG 20:2ME151872--6800-
LactateLactic acidME152165612-681.6-
Choline PhosphateCholine phosphateME1520601014-700-
SpermidineSpermidineME1523051102-700-
UreaUreaME1523551176-700-
TaurocyamineTaurocyamineME15233468340-710-
1-Palmitoyl-2-Linoleoyl-Gpg (16:0/18:2)-ME151904--717-
1-Palmitoyl-2-Linolenoyl-Gpg (16:0/18:3)-ME151900--728-
N-AcetylglycineN-AcetylglycineME15220810972-731-
5-OxoprolinePyroglutamic acidME1520017405-738.5-
DehydroascorbateL-Dehydroascorbic acidME152076835-739.6-
Methionine SulfoneMethionine sulfoneME15218969961-740.8-
1-Palmitoyl-2-Oleoyl-Gpg (16:0/18:1)PG 16:0/18:1ME1519075283509-745-
2-Aminooctanoate2-Aminocaprylic acidME15194369522-750-
HistidineHistidineME1521456274-755.9-
GlycerolGlycerolME152124753-758-
Nicotinamide Ribonucleotide (Nmn)Nicotinamide ribotideME15224214180-766-
IsocitrateIsocitric acidME1521601198-773-
UrateUric acidME1523541175-776-
N-AcetylasparagineN-AcetylasparagineME15220299715-785-
Glutathione- Reduced (Gsh)GlutathioneME152122124886-790-
Aica RibonucleotideAICARME15202365110-797-
Guanosine 5^- Monophosphate (5^-Gmp)GMPME1521406804-800-
PseudouridinePseudouridineME15228015047-800-
1-5-Anhydroglucitol (1-5-Ag)1,5-AnhydrosorbitolME15185264960-802-
CarnosineCarnosineME152055439224-804-
N-AcetylserineN-AcetylserineME15221665249-811-
MaltotrioseMaltotrioseME152182439586-812-
N-AcetylthreonineN-AcetylthreonineME152218152204-821.6-
Cytidine 5^-Monophosphate (5^-Cmp)CMPME1520716131-835-
N-AcetylglutamineN-AcetylglutamineME152207182230-845-
ErgothioneineErgothioneineME1520913032311-850-
N-AcetylalanineN-AcetylalanineME15220088064-861.2-
1-Stearoyl-2-Arachidonoyl-Gpi (18:0/20:4)PI 18:0/20:4ME151917--870-
Palmitoyl Sphingomyelin (D18:1/16:0)SM 18:1;O2/16:0ME1522589939941-870-
3-UreidopropionateUreidopropionic acidME151984111-875-
Thymidine 5^-MonophosphateTMPME1523419700-883-
MaltotetraoseMaltotetraoseME152181446495-910-
N-Acetylmethionine SulfoxideN-Acetylmethionine sulfoxideME152213193368-942-
Pyridoxal PhosphatePyridoxal 5'-phosphateME1522841051-943-
Adenosine 5^-Triphosphate (Atp)ATPME152020----


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