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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
tocopherol beta NISTbeta-tocopherolME1330888989C141521022809222
tocopherol gammagamma-TocopherolME13308792729C024831026222223
tocopherol alphaalpha-TocopherolME13308914985C024771067178237
cholesterolCholesterolME1331595997C001871077630129
lathosterol NISTLathosterolME13312565728C011891095135255
lactic acidLactic acidME13312661503C00256215380191
glycolic acidGlycolic acidME133137757C00160229810177
alanineAlanineME1331705950C00041243537116
2-hydroxybutanoic acid2-Hydroxybutyric acidME13318094318C05984258175131
oxalic acidOxalic acidME133110971C00209259625147
3-hydroxybutanoic acid3-Hydroxybutyric acidME13317411266C05984278929191
benzylalcoholBenzyl alcoholME133160244C00556281322165
N-methylalanineN-MethylalanineME1331135288725C02721286258130
2-ketoisocaproic acidKetoleucineME13317870C00233310629200
2-hydroxyvaleric acid2-Hydroxyvaleric acidME13317998009-310750131
valineValineME1330816287C00183313224144
2-phenylpropanol NIST-ME133176447661-319992193
ureaUreaME1330841176C00086331223171
benzoic acidBenzoic acidME133161243C00180338043179
ethanolamineEthanolamineME133150700C00189342787174
glycerolGlycerolME133141753C00116343749205
phosphoric acidPhosphoric acidME1331031004C00009344674299
leucineLeucineME1331236106C00123345953158
isoleucineIsoleucineME1331306306C00407356931158
prolineProlineME133102145742C00148364232142
glycineGlycineME133138750C00037364262174
isonicotinic acidIsonicotinic acidME1331295922C07446367074180
succinic acidSuccinic acidME1330941110C00042370518247
glyceric acidGlyceric acidME133142439194C00258373972189
fumaric acidFumaric acidME133148444972C00122390708245
serineSerineME1330975951C00065394650204
pyrazine 2,5-dihydroxy NIST-ME13309915532987-396061241
pelargonic acidPelargonic acidME1331068158C01601399163117
threonineThreonineME1330906288C00188409403117
2-deoxyerythritol NIST2-DeoxyerythritolME13318118302-422939103
erythritolErythritolME133151222285C00503471274205
adipic acidAdipic acidME133171196C06104475399111
aspartic acidAspartic acidME1331635960C00049480543232
4-hydroxyprolinecis-4-HydroxyprolineME133173825C01015481319140
methionineMethionineME1331166137C00073483425176
isothreonic acidD-Threonic acidME133128151152-489846292
threonic acidThreonic acidME133091439535C01620497167292
cysteineCysteineME133154594C00097499495220
creatinineCreatinineME133155588C00791502434115
alpha ketoglutaric acid2-Oxoglutaric acidME13316951C00026507734198
glutamic acidGlutamic acidME13314433032C00025527101246
ornithineOrnithineME1331116262C00077527822142
phenylalaninePhenylalanineME1331056140C00079538016218
2-oxogluconic acid NIST2-Dehydro-D-gluconic acidME1331773035456C00629542152201
xyloseXyloseME1330806027C00181542808103
lauric acidLauric acidME1331243893C02679547810117
pyrophosphatePyrophosphateME1330981023C00013548254451
asparagineAsparagineME133164236C00152553791116
taurineTaurineME1330921123C00245557250326
levoglucosanGlucosanME1331222724705-569799204
2-aminoadipic acidalpha-Aminoadipic acidME133182469C00956572700260
glycerol-beta-phosphatesn-Glycero-2-phosphateME1331392526C02979574994211
aconitic acidcis-Aconitic acidME133172309C00417586574229
putrescinePutrescineME1331001045C00134588249174
glycerol-alpha-phosphatesn-Glycero-3-phosphateME133140754C00093588999299
3,6-anhydrogalactose3,6-Anhydro-galactoseME133175441040C06474589230231
glutamineGlutamineME1331435961C00064600452156
phosphoethanolaminePhosphoethanolamineME1331041015C00346604454100
shikimic acidShikimic acidME1330968742C00493607609204
citric acidCitric acidME133158311C00158617288273
arginine + ornithineArginineME133165232C00062619420142
citrullineCitrullineME1331579750C00327620728157
alpha mannosylglycerate-ME133168443262C11544633295217
myristic acidMyristic acidME13311411005C06424634543285
fructoseFructoseME1331495984C00095642325307
glucoseGlucoseME1331465793C00031657634160
histidineHistidineME1331356274C00135663393154
lysineLysineME1331195962C00047663816156
mannitolMannitolME1331176251C00392665209103
glucuronic acidGlucuronic acidME13314594715C00191666743333
tyrosineTyrosineME1330856057C00082671085218
1-hexadecanolCetyl alcoholME1331852682C00823679338299
indole-3-acetateIndoleacetic acidME133134802C00954685195202
gluconic acidGluconic acidME133147604C00257693140333
conduritol-beta-epoxideConduritol epoxideME133156119054-704220318
palmitoleic acidPalmitoleic acidME133107445638C08362706298129
palmitic acidPalmitic acidME133109985C00249711066313
cysteine-glycineCys-GlyME133153439498C01419715639220
inositol myo-Myo-inositolME133132892C00137729867305
uric acidUric acidME1330831175C00366731185441
heptadecanoic acidMargaric acidME13313610465-750645117
indole-3-lactateIndolelactic acidME13313392904C02043764543202
palmitic acid butyl ester NIST-ME1331088090-768467129
kynurenineKynurenineME133127161166C00328769271218
linoleic acidLinoleic acidME1331205280450C01595777102337
oleic acidOleic acidME133112445639C01712778858339
tryptophanTryptophanME1330866305C00078779834202
stearic acidStearic acidME1330955281C01530787358117
cystineCystineME13315267678C00491804143218
pseudo uridinePseudouridineME13310115047C02067813829217
arachidonic acidArachidonic acidME133166444899C0021983329291
arachidic acidArachidic acidME13316710467C06425856486117
uridineUridineME1330826029C00299856953258
monopalmitin-1-glycerideMG 16:0/0:0/0:0ME13311514900-901207371
sucroseSucroseME1330935988C00089913309271
behenic acidBehenic acidME1331628215C08281919675117
inulobiose 2InulobioseME133131439552C01711930708204
maltoseMaltoseME1331186255C01971946608361
1-monooleinMG 18:1(9Z)/0:0/0:0ME1331845283468C01885952993129
1-monostearinMG 18:0/0:0/0:0ME13318324699D01947959625399
lignoceric acidLignoceric acidME13312111197C08320977850117


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