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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
1-monooleinMG 18:1(9Z)/0:0/0:0ME36813414900C01885901749129
1-monopalmitinMG 16:0/0:0/0:0ME36813324699D01947959214203
1-monostearinMG 18:0/0:0/0:0ME368132250402-384796292
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME36813123368901-397526241
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME368130150929-433456189
2-deoxytetronic acid3,4-Dihydroxybutyric acidME368129440864C05984259536131
2-hydroxybutanoic acid2-Hydroxybutyric acidME36812843C02630506306247
2-hydroxyglutaric acid2-Hydroxyglutaric acidME36812770C0023331076189
2-ketoisocaproic acidKetoleucineME36812692135C01089278829191
3-hydroxybutyric acid3-Hydroxybutyric acidME3681251833C05659864466174
5-methoxytryptamine5-MethoxytryptamineME368124643757C00417584528229
aconitic acidcis-Aconitic acidME36812360961C00212918039236
adenosineAdenosineME3681226083C000201038688169
adenosine-5-monophosphateAMPME3681215950C00041243971116
alanineAlanineME368120--726050259
allantoic acidAllantoic acidME36811992136C00956573295260
alpha-aminoadipic acidalpha-Aminoadipic acidME36811851C00026507392198
alpha-ketoglutarate2-Oxoglutaric acidME368117100714C00872455754218
aminomalonateAminomalonic acidME3681166902C00216550621217
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
cis-gondoic acidcis-Gondoic acidME368104311C00158617342273
citric acidCitric acidME3681039750C00327621404157
citrullineCitrullineME3681029989541-701723318
conduritol-beta-expoxideConduritol epoxideME368101588C00791502599115
creatinineCreatinineME3681005862C00097500158220
cysteineCysteineME368099595C01420804619218
cystineCystineME368098440667C05422632888173
dehydroascorbic acidL-Dehydroascorbic acidME368097700C00189340131174
ethanolamineEthanolamineME368096439709C02336641863307
fructoseFructoseME368095439650C02095578299160
fucoseFucoseME368094444972C00122390016245
fumaric acidFumaric acidME368093441476C08348678231333
galacturonic acidGalacturonic acidME3680926857417C00800693148333
gluconic acidGluconic acidME36809164689C00221659798319
glucoseGlucoseME368090439427C01172810287387
glucose-6-phosphate majorGlucose 6-phosphateME36808933032C00025529100246
glutamate minorGlutamic acidME36808733032C00025489240174
glutamic acidGlutamic acidME36808833032C00025529100246
glutamineGlutamineME3680865961C00064600315156
glyceric acidGlyceric acidME368085439194C00258377495189
glycerolGlycerolME368084--344428205
glycerol-3-galactosideGalactosylglycerolME36808316048618C05401805227204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME368082754C03189590747357
glycineGlycineME368081750C00037368707248
glycolic acidGlycolic acidME368080757C00160227409177
heptadecanoic acidMargaric acidME36807910465-751309117
hexadecaneHexadecaneME36807811006-52596485
hexitolSorbitolME368077453C00392704741217
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
isohexonic acid-ME368064604-698302333
isoleucineIsoleucineME3680636306C00407359251158
isothreonic acidD-Threonic acidME368062151152C00639489385292
lactamideLactamideME36806194220-265698232
lactic acidLactic acidME368060612C01432217657191
lauric acidLauric acidME3680593893C02679547840117
leucineLeucineME3680586106C00123345575158
linoleic acidLinoleic acidME3680575280450C01595777414150
lysineLysineME3680565962C00047663483156
lyxitolL-ArabitolME368055439255C00532573587217
lyxoseLyxoseME368054439240C00476541086217
malic acidMalic acidME368053525C00711463180233
mannitolMannitolME3680526251C00392663215319
mannoseMannoseME36805118950C00159645856205
methanolphosphateMethanolphosphateME36805013130-289520241
methionineMethionineME368048--484514176
methionine sulfoxideMethionine sulfoxideME368049158980C02989637588128
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
pelargonic acidPelargonic acidME3680368158C01601399229117
pentadecanoic acidPentadecylic acidME36803513849C16537674647117
phenylalaninePhenylalanineME3680346140C00079537804218
phosphatePhosphoric acidME3680331004C00009345365314
phosphoethanolaminePhosphoethanolamineME3680321015C00346603912299
pinitolPinitolME368031164619C03844622466260
prolineProlineME368030145742C00148364716142
pseudo uridinePseudouridineME36802915047C02067813899217
p-tolyl glucuronideP-Cresol glucuronideME368028154035-847531180
pyruvic acidPyruvic acidME3680271060C00022213805174
riboseRiboseME3680265779C00121553135217
saccharic acidGlucaric acidME36802533037C00818699211333
salicylic acidSalicylic acidME368024338C00805480699267
serineSerineME3680235951C00065395020218
sorbitolSorbitolME3680225780C00794667922217
stearic acidStearic acidME3680215281C01530787622117
succinic acidSuccinic acidME3680201110C00042370608247
sucroseSucroseME3680195988C00089915139271
taurineTaurineME3680181123C00245556690326
threonic acidThreonic acidME3680175460407C01620497572292
threonineThreonineME3680166288C00188408777218
thymidineThymidineME3680155789C00214349402170
tocopherol alpha-alpha-TocopherolME368014638015C003761067809237
tryptophanTryptophanME3680136305C00078780482202
tyrosineTyrosineME3680126057C00082671252218
uracilUracilME3680111174C00106385735241
ureaUreaME3680101176C00086329351189
uric acidUric acidME3680091175C00366730691441
uridineUridineME3680086029C00299861508217
valineValineME3680076287C00183313502144
xanthineXanthineME3680061188C00385701688353
xylitolXylitolME3680056912C00379567437217
xyloseXyloseME368004135191C00181544100103
xylulose NISTXyluloseME368003439205C00312553450173


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