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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
Nicotinic acidNicotinic acidME170835--10.0656-
IsoleucineIsoleucineME170817--10.2021-
ProlineProlineME170852--10.3043-
GlycineGlycineME170809--10.3938-
Succinic acidSuccinic acidME170861--10.5154-
Maleic acidMaleic acidME170823--10.5864-
ThymolThymolME170869--10.613-
Glyceric acidGlyceric acidME170806--10.6762-
Tartronic acidHydroxypropanedioic acidME170863--10.982-
Fumaric acidFumaric acidME170799--10.9962-
SerineSerineME170857--11.0825-
UracilUracilME170875--11.1224-
Nonanoic acidPelargonic acidME170838--11.1559-
ThreonineThreonineME170868--11.4264-
beta-Alaninebeta-AlanineME170775--12.0165-
Decanoic acidCapric acidME170788--12.4308-
Aminomalonic acidAminomalonic acidME170769--12.557-
Hydroxyprolines-ME170815--12.6433-
Malic acidMalic acidME170824--12.7599-
ErythritolErythritolME170795--12.9564-
1,4:3,6-Dianhydroglucitol-ME170740--13.0765-
Acetylsalicylic acidAspirinME170760--13.1153-
MethionineMethionineME170825--13.1996-
Aspartic acidAspartic acidME170773--13.2037-
Threonic acidThreonic acidME170867--13.5171-
CreatinineCreatinineME170785--13.6443-
Barbituric acidBarbituric acidME170774--13.756-
6-Hydroxynicotinic acid6-Hydroxynicotinic acidME170758--13.7997-
N-Methylglutamic acidN-Methyl-glutamic acidME170837--13.8184-
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME170746--13.8287-
alpha Ketoglutaric acid2-Oxoglutaric acidME170765--13.8733-
HypotaurineHypotaurineME170816--14.1839-
Glutamic acidGlutamic acidME170804--14.3662-
PhenylalaninePhenylalanineME170850--14.516-
4-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME170754--14.6681-
Lauric acidLauric acidME170819--14.7908-
Aldopentoses-ME170764--14.8035-
3-Methyloxyindole3-MethyloxindoleME170738--14.8284-
PyrophosphatePyrophosphateME170855--14.8673-
HomoserineHomoserineME170814--14.9089-
AsparagineAsparagineME170772--14.9662-
Cysteinesulfinic acid3-Sulfino-alanineME170786--15.0811-
PentitolsArabitolME170847--15.4276-
2-Aminoadipic acidalpha-Aminoadipic acidME170744--15.4321-
beta-Glycerolphosphatesn-Glycero-2-phosphateME170776--15.5238-
6-Deoxyhexose-ME170757--15.5391-
Aconitic acidcis-Aconitic acidME170761--15.8211-
OrnithineOrnithineME170842--15.8913-
Glycerol 1-phosphatesn-Glycero-3-phosphateME170808--15.931-
2,3-Dihydroxybenzoic acid2-Pyrocatechuic acidME170743--15.9784-
Pentonic acids-ME170848--16.0593-
GlutamineGlutamineME170805--16.1204-
Gentisic acidGentisic acidME170801--16.1677-
O-PhosphocolaminePhosphoethanolamineME170841--16.1958-
Methionine sulfoxide 1Methionine sulfoxideME170826--16.22-
3-Phosphoglyceric acid3-Phosphoglyceric acidME170753--16.4257-
Citric acidCitric acidME170784--16.556-
1,5-Anhydroglucitol1,5-AnhydrosorbitolME170741--16.9196-
Myristic acid or PentadecanolMyristic acidME170834--16.935-
FructoseFructoseME170798--17.0904-
GlucoseGlucoseME170803--17.3888-
Dehydroascorbic acidL-Dehydroascorbic acidME170790--17.4725-
LysineLysineME170822--17.637-
HistidineHistidineME170813--17.6782-
Methyl palmitate-ME170830--17.7857-
TyrosineTyrosineME170874--17.8402-
Pentadecanoic acidPentadecylic acidME170846--17.9375-
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME170751--18.2475-
Gluconic acidGluconic acidME170802--18.3727-
5-Hydroxylysine5-HydroxylysineME170756--18.5077-
Palmitoleic acidPalmitoleic acidME170844--18.7084-
Palmitic acidPalmitic acidME170843--18.8925-
MyoinositolMyo-inositolME170832--19.2561-
Uric acidUric acidME170877--19.3679-
Methyl linoleateMethyl linoleateME170828--19.4356-
Methyl oleateMethyl oleateME170829--19.4863-
Methyl stearateMethyl stearateME170831--19.7116-
Heptadecanoic acidMargaric acidME170811--19.8073-
Tetradecanedioic acidTetradecanedioic acidME170865--20.0307-
1-Methyltryptophan1-MethyltryptophanME170742--20.0648-
3-Indolelactic acid-ME170752--20.1047-
TryptamineTryptamineME170872--20.2114-
Linoleic acidLinoleic acidME170821--20.4336-
Oleic acidOleic acidME170839--20.4845-
TryptophanTryptophanME170873--20.4852-
Stearic acidStearic acidME170860--20.6844-
Methyl eicosatrienoate-ME170827--20.9872-
CystineCystineME170787--21.091-
PseudouridinePseudouridineME170854--21.3839-
Arachidonic acidArachidonic acidME170771--21.7955-
Myoinositol-2-phosphatemyo-Inositol 2-phosphateME170833--22.0623-
Arachidic acidArachidic acidME170770--22.3491-
SerotoninSerotoninME170858--22.5216-
SphingosineSphingosineME170859--22.6355-
beta-MonopalmitinMG 0:0/16:0/0:0ME170778--23.1767-
Docosahexaenoic acidDocosahexaenoic acidME170793--23.3173-
alpha-MonopalmitinMG 16:0/0:0/0:0ME170766--23.4416-
SucroseSucroseME170862--23.7377-
Docosanoic acidBehenic acidME170794--23.8737-
Disaccharide-ME170792--24.5026-
beta-MonostearinMG 0:0/18:0/0:0ME170779--24.5957-
alpha-MonostearinMG 18:0/0:0/0:0ME170767--24.8577-
Tetracosanoic acidLignoceric acidME170864--25.2986-
Prunetin or similar isoflavone-ME170853--25.5472-
delta-Tocopheroldelta-TocopherolME170791--25.7757-
gamma-Tocopherolgamma-TocopherolME170800--26.4402-
Adenosine-5'-monophosphateAMPME170762--26.8304-
alpha-Tocopherolalpha-TocopherolME170768--27.3965-
CholesterolCholesterolME170782--27.5932-
CampesterolCampesterolME170781--28.2744-
Cholic acid or similar bile acid-ME170783--28.4552-
Tetrasaccharide-ME170866--28.8507-
beta-SitosterolSitosterolME170780--28.9001-
TrisaccharideHexose trisaccharideME170871--30.1518-
Ethylene glycolEthylene glycolME170797--6.0694-
1,2-Propanediol1,2-PropanediolME170739--6.1996-
Tiglic acidTiglic acidME170870--6.4056-
2-Hydroxypyridine2-HydroxypyridineME170747--6.7281-
Pyruvic acidPyruvic acidME170856--6.9124-
PhenolPhenolME170849--6.9845-
Lactic acidLactic acidME170818--7.0157-
Hexanoic acidCaproic acidME170812--7.1859-
Glycolic acidGlycolic acidME170810--7.2311-
AlanineAlanineME170763--7.5855-
2-Ketovaline-ME170750--7.6912-
2-Hydroxybutyric acid2-Hydroxybutyric acidME170745--7.896-
AcetoacetateAcetoacetic acidME170759--8.0431-
4-Hydroxypyridine4-PyridoneME170755--8.2014-
p-CresolP-CresolME170845--8.3279-
beta-Hydroxybutyric acid3-Hydroxybutyric acidME170777--8.3634-
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME170748--8.4105-
N-MethylalanineN-MethylalanineME170836--8.5305-
O-MethylphosphateMethanolphosphateME170840--8.6307-
Dehydroalanine2-Aminoacrylic acidME170789--8.8728-
2-Ketoleucine-ME170749--9.111-
ValineValineME170878--9.1306-
UreaUreaME170876--9.6911-
EthanolamineEthanolamineME170796--9.8376-
GlycerolGlycerolME170807--9.8911-
LeucineLeucineME170820--9.8971-
Phosphoric acidPhosphoric acidME170851--9.951-


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