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Analysis: GC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME36813123368901-397526241
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME368130150929-433456189
2-hydroxybutanoic acid2-Hydroxybutyric acidME36812843C02630506306247
2-hydroxyglutaric acid2-Hydroxyglutaric acidME36812770C0023331076189
alpha-ketoglutarate2-Oxoglutaric acidME368117100714C00872455754218
2-deoxytetronic acid3,4-Dihydroxybutyric acidME368129440864C05984259536131
3-hydroxybutyric acid3-Hydroxybutyric acidME3681251833C05659864466174
5-methoxytryptamine5-MethoxytryptamineME368124643757C00417584528229
adenosineAdenosineME3681226083C000201038688169
alanineAlanineME368120--726050259
allantoic acidAllantoic acidME36811992136C00956573295260
alpha-aminoadipic acidalpha-Aminoadipic acidME36811851C00026507392198
tocopherol alpha-alpha-TocopherolME368014638015C003761067809237
aminomalonateAminomalonic acidME3681166902C00216550621217
adenosine-5-monophosphateAMPME3681215950C00041243971116
arabinoseArabinoseME36811594154C01904570685217
arabitolArabitolME36811410467C06425856421117
arachidic acidArachidic acidME368113444899C0021983433991
arachidonic acidArachidonic acidME3681126267C00152553078188
asparagineAsparagineME3681115960C00049480387232
aspartic acidAspartic acidME3681108215C08281920648117
behenic acidBehenic acidME368109243C00180339214179
benzoic acidBenzoic acidME368108239C00099435564248
beta-alaninebeta-AlanineME3681072969C01571451790229
capric acidCapric acidME3681065997C001871078536129
cholesterolCholesterolME3681055282768C16526847372367
aconitic acidcis-Aconitic acidME36812360961C00212918039236
cis-gondoic acidcis-Gondoic acidME368104311C00158617342273
citric acidCitric acidME3681039750C00327621404157
citrullineCitrullineME3681029989541-701723318
conduritol-beta-expoxideConduritol epoxideME368101588C00791502599115
creatinineCreatinineME3681005862C00097500158220
cysteineCysteineME368099595C01420804619218
cystineCystineME368098440667C05422632888173
isothreonic acidD-Threonic acidME368062151152C00639489385292
ethanolamineEthanolamineME368096439709C02336641863307
fructoseFructoseME368095439650C02095578299160
fucoseFucoseME368094444972C00122390016245
fumaric acidFumaric acidME368093441476C08348678231333
glycerol-3-galactosideGalactosylglycerolME36808316048618C05401805227204
galacturonic acidGalacturonic acidME3680926857417C00800693148333
saccharic acidGlucaric acidME36802533037C00818699211333
gluconic acidGluconic acidME36809164689C00221659798319
glucoseGlucoseME368090439427C01172810287387
glucose-6-phosphate majorGlucose 6-phosphateME36808933032C00025529100246
glutamate minorGlutamic acidME36808733032C00025489240174
glutamic acidGlutamic acidME36808833032C00025529100246
glutamineGlutamineME3680865961C00064600315156
glyceric acidGlyceric acidME368085439194C00258377495189
glycerolGlycerolME368084--344428205
glycineGlycineME368081750C00037368707248
glycolic acidGlycolic acidME368080757C00160227409177
hexadecaneHexadecaneME36807811006-52596485
hexuronic acidHexuronic acidME368076152867-667373160
hippuric acidHippuric acidME368075464C01586636836206
histidineHistidineME3680746274C00135663790154
hydrocinnamic acidHydrocinnamic acidME368073107C05629434422104
hydroxycarbamate NISTHydroxycarbamic acidME36807216639161-325318278
hydroxylamineHydroxylamineME368071787C00192250536146
hypoxanthineHypoxanthineME368070790C00262619128265
indole-3-acetateIndoleacetic acidME368069802C00954684929202
indole-3-lactateIndolelactic acidME36806892904C02043764586202
indoxyl sulfateIndoxyl sulfateME36806710258-577333277
inosineInosineME3680666021C00294897184230
isocitric acidIsocitric acidME3680655318532C00451617338245
isoleucineIsoleucineME3680636306C00407359251158
2-ketoisocaproic acidKetoleucineME36812692135C01089278829191
lactamideLactamideME36806194220-265698232
lactic acidLactic acidME368060612C01432217657191
lyxitolL-ArabitolME368055439255C00532573587217
lauric acidLauric acidME3680593893C02679547840117
dehydroascorbic acidL-Dehydroascorbic acidME368097700C00189340131174
leucineLeucineME3680586106C00123345575158
linoleic acidLinoleic acidME3680575280450C01595777414150
lysineLysineME3680565962C00047663483156
lyxoseLyxoseME368054439240C00476541086217
malic acidMalic acidME368053525C00711463180233
mannitolMannitolME3680526251C00392663215319
mannoseMannoseME36805118950C00159645856205
heptadecanoic acidMargaric acidME36807910465-751309117
methanolphosphateMethanolphosphateME36805013130-289520241
methionineMethionineME368048--484514176
methionine sulfoxideMethionine sulfoxideME368049158980C02989637588128
1-monopalmitinMG 16:0/0:0/0:0ME36813324699D01947959214203
1-monostearinMG 18:0/0:0/0:0ME368132250402-384796292
1-monooleinMG 18:1(9Z)/0:0/0:0ME36813414900C01885901749129
myo-inositolMyo-inositolME368047892C00137730022305
myristic acidMyristic acidME36804611005C06424634414285
n-acetylglutamateN-Acetylglutamic acidME36804570914C00624477776158
N-acetylglycine NISTN-AcetylglycineME36804410972-356109174
N-methylalanineN-MethylalanineME3680435288725C02721288133130
oleic acidOleic acidME368042445639C00712779120339
ornithineOrnithineME3680416262C00077527113142
oxalic acidOxalic acidME368040971C00209260513190
oxoprolineOxoprolineME3680397405C01879485935156
palmitic acidPalmitic acidME368038985C00249713809313
palmitoleic acidPalmitoleic acidME368037445638C08362706508311
p-tolyl glucuronideP-Cresol glucuronideME368028154035-847531180
pelargonic acidPelargonic acidME3680368158C01601399229117
pentadecanoic acidPentadecylic acidME36803513849C16537674647117
phenylalaninePhenylalanineME3680346140C00079537804218
phosphoethanolaminePhosphoethanolamineME3680321015C00346603912299
phosphatePhosphoric acidME3680331004C00009345365314
pinitolPinitolME368031164619C03844622466260
prolineProlineME368030145742C00148364716142
pseudo uridinePseudouridineME36802915047C02067813899217
pyruvic acidPyruvic acidME3680271060C00022213805174
riboseRiboseME3680265779C00121553135217
salicylic acidSalicylic acidME368024338C00805480699267
serineSerineME3680235951C00065395020218
glycerol-alpha-phosphatesn-Glycero-3-phosphateME368082754C03189590747357
hexitolSorbitolME368077453C00392704741217
sorbitolSorbitolME3680225780C00794667922217
stearic acidStearic acidME3680215281C01530787622117
succinic acidSuccinic acidME3680201110C00042370608247
sucroseSucroseME3680195988C00089915139271
taurineTaurineME3680181123C00245556690326
threonic acidThreonic acidME3680175460407C01620497572292
threonineThreonineME3680166288C00188408777218
thymidineThymidineME3680155789C00214349402170
tryptophanTryptophanME3680136305C00078780482202
tyrosineTyrosineME3680126057C00082671252218
uracilUracilME3680111174C00106385735241
ureaUreaME3680101176C00086329351189
uric acidUric acidME3680091175C00366730691441
uridineUridineME3680086029C00299861508217
valineValineME3680076287C00183313502144
xanthineXanthineME3680061188C00385701688353
xylitolXylitolME3680056912C00379567437217
xyloseXyloseME368004135191C00181544100103
xylulose NISTXyluloseME368003439205C00312553450173
isohexonic acid-ME368064604-698302333


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