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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
1,4:3,6-Dianhydroglucitol-ME170528--12.9962-
1,5-Anhydroglucitol1,5-AnhydrosorbitolME170529--16.8898-
2-Aminoadipic acidalpha-Aminoadipic acidME170530--15.3845-
2-Aminopimelic acid-ME170531--16.0961-
2-Hydroxybutyric acid2-Hydroxybutyric acidME170532--7.7734-
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME170533--13.775-
2-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME170534--6.3869-
2-Hydroxypyridine2-HydroxypyridineME170535--6.5302-
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME170536--8.3044-
2-Ketobutyric acid3-Methyl pyruvic acidME170537--7.4405-
2-Ketoleucine/ketoisoleucine-ME170538--9.0152-
2-Ketovaline-ME170539--7.5443-
3-(4-Hydroxyphenyl)propionic acidDesaminotyrosineME170540--15.9889-
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid ...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME170541--18.2182-
3-Hydroxydecanoic acid3-Hydroxydecanoic acidME170542--14.7078-
3-Indolelactic acid/tryptophan-ME170543--20.0724-
3-Phosphoglyceric acid3-Phosphoglyceric acidME170544--16.3834-
4-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME170545--14.6029-
4-Hydroxypyridine4-PyridoneME170546--8.0215-
5-alpha-Coprostanol or similar oxysterol-ME170547--27.7354-
5-Hydroxylysine5-HydroxylysineME170548--18.5005-
6-Deoxyhexose-ME170549--15.4842-
AcetoacetateAcetoacetic acidME170550--7.6446-
Acetylsalicylic acid/Salicylic acidAspirinME170551--13.0263-
Aconitic acidcis-Aconitic acidME170552--15.7895-
AlanineAlanineME170553--7.4533-
Aldopentoses-ME170554--14.676-
AlizarinAlizarinME170555--23.3966-
alpha Ketoglutaric acid2-Oxoglutaric acidME170556--13.7987-
alpha-MonopalmitinMG 16:0/0:0/0:0ME170557--23.527-
alpha-MonostearinMG 18:0/0:0/0:0ME170558--24.9797-
alpha-Tocopherolalpha-TocopherolME170559--27.5014-
Aminomalonic acidAminomalonic acidME170560--12.4803-
Arachidic acid/ 1-Heneicosanol-ME170561--22.4214-
Arachidonic acid (also Eicosapentaenoic acid)Arachidonic acidME170562--21.8204-
AsparagineAsparagineME170563--14.9042-
Aspartic acidAspartic acidME170564--13.1054-
Aspartic acid 2Aspartic acidME170565--13.2407-
Barbituric acidBarbituric acidME170566--13.6885-
beta-Alanine/3-Aminoisobutanoic acid-ME170567--11.9547-
beta-Hydroxybutyric acid3-Hydroxybutyric acidME170568--8.2579-
beta-MonopalmitinMG 0:0/16:0/0:0ME170569--23.2603-
beta-MonostearinMG 0:0/18:0/0:0ME170570--24.7102-
beta-SitosterolSitosterolME170571--28.978-
CampesterolCampesterolME170572--28.3397-
CholesterolCholesterolME170573--27.6628-
Cholic acid or similar bile acid-ME170574--28.5849-
Citric acid/isocitric acidCitric acid/Isocitric acidME170575--16.5241-
CreatinineCreatinineME170576--13.5609-
CystineCystineME170577--20.8925-
Decanoic acidCapric acidME170578--12.3815-
Dehydroascorbic acidL-Dehydroascorbic acidME170579--17.4013-
delta-Tocopheroldelta-TocopherolME170580--25.8618-
Disaccharide-ME170581--24.5781-
Docosahexaenoic acidDocosahexaenoic acidME170582--23.3512-
Docosanoic acidBehenic acidME170583--23.9634-
Erythritol/TheitolErythritolME170584--12.9065-
Erythronic acidErythronic acidME170585--13.3474-
EthanolamineEthanolamineME170587--9.7678-
Ethanol diglycine (EDTA decomposition product)-ME170586--16.6157-
Flavonoid or short-chain cholesterol ester-ME170588--26.0609-
Fructose or similar ketohexoseKetohexoseME170589--17.045-
FucosterolIsofucosterolME170590--29.0951-
gamma-Tocopherolgamma-TocopherolME170591--26.5325-
Gluconic acid or similar sugar acid-ME170592--17.9467-
Gluconic acid or similar sugar acid 2-ME170593--18.3539-
Glucose and other aldohexosesHexoseME170594--17.4236-
Glutamic acidGlutamic acidME170595--14.3187-
GlutamineGlutamineME170596--16.0788-
Glyceric acidGlyceric acidME170597--10.6135-
GlycerolGlycerolME170598--9.8357-
Glycerol 1-phosphatesn-Glycero-3-phosphateME170599--15.8924-
GlycineGlycineME170600--10.3287-
Glycolic acidGlycolic acidME170601--7.0845-
Glyoxylic acidGlyoxylic acidME170602--5.9555-
Heptadecanoic acid/Octadecanol-ME170603--19.9409-
Heptadecanoic acid/Octadecanol 2-ME170604--19.8343-
Hexanoic acidCaproic acidME170605--7.0613-
Hexuronic acidHexuronic acidME170606--17.8818-
HistidineHistidineME170607--17.6328-
HomoserineHomoserineME170608--14.8743-
Hydroxyprolines-ME170609--12.5616-
HypotaurineHypotaurineME170610--14.1207-
HypoxanthineHypoxanthineME170611--16.4858-
IsobutyrylglycineIsobutyrylglycineME170612--10.0071-
IsoleucineIsoleucineME170613--10.138-
Ketopentoses-ME170614--14.9216-
Lactic acidLactic acidME170615--6.8631-
Lauric acidLauric acidME170616--14.7606-
Linoleic acidLinoleic acidME170617--20.4541-
LysineLysineME170618--17.6335-
Maleic acidMaleic acidME170619--10.5144-
Malic acidMalic acidME170620--12.6964-
MethionineMethionineME170621--13.1281-
Methionine sulfoxide 2Methionine sulfoxideME170622--16.9928-
Methyl eicosatrienoate-ME170623--20.9263-
Methyl linoleateMethyl linoleateME170624--19.4202-
Methyl oleateMethyl oleateME170625--19.4736-
Methyl palmitate-ME170626--17.7614-
Methyl stearateMethyl stearateME170627--19.7077-
MyoinositolMyo-inositolME170628--19.2448-
Myoinositol-2-phosphatemyo-Inositol 2-phosphateME170629--22.0932-
Myristic acid or PentadecanolMyristic acidME170630--16.9288-
N-Acetylneuraminic acidN-Acetylneuraminic acidME170631--23.7548-
N-AcetyltryptophanN-Acetyl-tryptophanME170632--21.7077-
N-Methylalanine/2-Aminobutanoic acid/N-Ethylglycin...-ME170633--8.4288-
N-Methylglutamic acidN-Methyl-glutamic acidME170634--13.7553-
n-Octanoln-OctanolME170635--7.7228-
Nonanoic acidPelargonic acidME170636--11.1047-
n-Triacontane-ME170637--26.2435-
Oleic acidOleic acidME170638--20.5091-
O-MethylphosphateMethanolphosphateME170639--8.5004-
O-PhosphocolaminePhosphoethanolamineME170640--16.1545-
OrnithineOrnithineME170641--15.8571-
Oxalic acidOxalic acidME170642--7.8595-
Palmitic acidPalmitic acidME170643--18.9137-
Palmitoleic acidPalmitoleic acidME170644--18.7132-
Pantothenic acidPantothenic acidME170645--18.3281-
p-CresolP-CresolME170646--8.2094-
Pentadecanoic acid/Hexadecanol-ME170647--18.0775-
PentitolsArabitolME170648--15.4077-
Pentonic acids-ME170649--16.0142-
PhenolPhenolME170650--6.798-
PhenylalaninePhenylalanineME170651--14.4425-
Phosphoric acidPhosphoric acidME170652--9.8839-
PhylloquinonePhylloquinoneME170653--29.3952-
PhytanePhytaneME170654--16.8321-
ProlineProlineME170655--10.229-
Prunetin or similar isoflavone-ME170656--25.6509-
PseudouridinePseudouridineME170657--21.4086-
Purine ribosideNebularineME170658--22.017-
Pyridine-2,6-dicarboxylic acid2,6-Pyridinedicarboxylic acidME170659--15.6635-
PyrophosphatePyrophosphateME170660--14.8065-
Pyruvic acidPyruvic acidME170661--6.7449-
SerineSerineME170662--11.0268-
SerotoninSerotoninME170663--22.5482-
Stearic acidStearic acidME170664--20.731-
Succinic acidSuccinic acidME170665--10.4452-
Sucrose and similar disaccharidesHexose disaccharideME170666--23.8181-
Tetradecanedioic acidTetradecanedioic acidME170667--20.0789-
Tetrasaccharide-ME170668--29.1013-
Threonic acidThreonic acidME170669--13.5504-
ThreonineThreonineME170670--11.3638-
Threose/erythrose-ME170671--12.2953-
ThymolThymolME170672--10.5465-
TrisaccharideHexose trisaccharideME170673--30.4871-
Tryptamine/Norepinephrine-ME170674--20.2285-
TyrosineTyrosineME170675--17.8165-
UreaUreaME170676--9.4858-
Uric acidUric acidME170677--19.3471-
UridineUridineME170678--22.4827-
ValineValineME170679--7.3088-
XanthineXanthineME170680--18.5905-


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