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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
1,2,4-benzenetriol1,2,4-TrihydroxybenzeneME30786910787C02814521803239
1,5-anhydroglucitol1,5-AnhydrosorbitolME30786864960C07326633603217
1-methylgalactose-ME3078672108-664807204
1-monooleinMG 18:1(9Z)/0:0/0:0ME3078665283468-955584129
1-monopalmitinMG 16:0/0:0/0:0ME30786514900C01885901749129
1-monostearinMG 18:0/0:0/0:0ME30786424699D01947959214203
2-hydroxybutanoic acid2-Hydroxybutyric acidME307863440864C05984258161131
2-monopalmitinMG 0:0/16:0/0:0ME307862123409-890356129
3-hydroxybutyric acid3-Hydroxybutyric acidME30786192135C01089278829191
9-myristoleateMyristoleic acidME307860--630100117
acetophenoneAcetophenoneME3078597410C07113238615105
adipic acidAdipic acidME307858196C06104474435111
alanineAlanineME3078575950C00041243971116
arachidic acidArachidic acidME30785610467C06425856421117
arachidonic acidArachidonic acidME307855444899C0021983711591
aspartic acidAspartic acidME3078545960C00049480387232
beta-alaninebeta-AlanineME307853239C00099435564248
beta-glycerolphosphatesn-Glycero-2-phosphateME3078522526C02979574470243
capric acidCapric acidME3078512969C01571451790229
cholesterolCholesterolME3078505997C001871076014129
cis-gondoic acidcis-Gondoic acidME3078495282768C16526847372367
citric acidCitric acidME307848311C00158617342273
creatinineCreatinineME307847588C00791502599115
deoxypentitol1-Deoxy-D-ribitolME307846270738-528774231
dihydroxyacetoneDihydroxyacetoneME307845670C0018433212089
dodecanolDodecanolME3078448193C02277507619243
epsilon-caprolactamEpsilon-caprolactamME3078437768C06593353069170
erythritolErythritolME307842222285C00503471922217
erythronic acid lactoneErythrono-1,4-lactoneME3078415325915C02341407495247
fructoseFructoseME307840439709C02336641863307
fucoseFucoseME307839439650C02095578299160
fumaric acidFumaric acidME307838444972C00122390775245
galactinolGalactinolME30783711727586C012351017580204
galactoseGalactoseME307836439357C00984648756319
gluconic acidGluconic acidME3078356857417C00800693148333
gluconic acid lactoneGluconolactoneME3078347027C00198653941217
glucoseGlucoseME30783364689C00221659798319
glutamic acidGlutamic acidME30783233032C00025529100246
glutamineGlutamineME3078315961C00064600315156
glutaric acidGlutaric acidME307830743C00489421596261
glyceric acidGlyceric acidME307829439194C00258377495189
glycerolGlycerolME307828753C00116344428205
glycerol-3-galactosideGalactosylglycerolME30782716048618C05401805227204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME307826754C03189590747357
glycineGlycineME307825750C00037368707248
glycolic acidGlycolic acidME307824757C00160227215177
guanineGuanineME307823764C00242744307352
heptadecanoic acidMargaric acidME30782210465-751309117
hydroquinoneHydroquinoneME307821785C00530422583239
hydroxycarbamateHydroxycarbamic acidME30782016639161-325948278
indole-3-propionic acid3-Indolepropionic acidME3078193744-779808202
inositol-4-monophosphateInositol 4-phosphateME307818440043C03546846510315
isoleucineIsoleucineME3078176306C00407359251158
isopentadecanoic acidIsopentadecylic acidME307816151014-663518117
isothreonic acidD-Threonic acidME307815151152C00639489385292
lactic acidLactic acidME307813612C01432219848191
lactitolLactitolME307812157355C13542959541361
lactoseLactoseME3078146134C01970932179204
lanosterolLanosterolME307811246983C017241129573393
lauric acidLauric acidME3078103893C02679547906117
leucineLeucineME3078096106C00123346101158
leucroseLeucroseME307808165577-888639204
levoglucosanGlucosanME3078072724705-569637204
linoleic acidLinoleic acidME3078065280450C01595777414150
linolenic acidOctadecatrienoic acidME3078055280934C06427780376108
lysopalmitoyl monogalactosylglycerol-ME30780453483072-1183271204
lyxitolL-ArabitolME307803439255C00532573587217
lyxoseLyxoseME307802439240C00476541086217
malic acidMalic acidME307801525C00711463180233
maltotrioseMaltotrioseME307800439586C018351182969361
mannitolMannitolME3077996251C00392663215319
mannoseMannoseME30779818950C00159645856205
methanolphosphateMethanolphosphateME30779713130-289520241
methionineMethionineME3077966137C00073483560176
monomyristinMG 14:0ME30779579050-838305343
myo-inositolMyo-inositolME307794892C00137730022305
myristic acidMyristic acidME30779311005C06424634414285
N-acetyl-D-galactosamineN-Acetyl-D-galactosamineME307792440552C05021720730319
n-acetyl-d-hexosamineN-AcetylhexosamineME30779124139C03878746341319
N-acetylmannosamineN-Acetyl-mannosamineME307790439281C00645722897319
octadecanolStearyl alcoholME3077898221-755409327
oleic acidOleic acidME307788445639C00712781527339
orotic acidOrotic acidME307787967C00295586317254
oxoprolineOxoprolineME3077867405C01879485935156
palmitic acidPalmitic acidME307785985C00249710061313
palmitoleic acidPalmitoleic acidME307784445638C08362706508311
pantothenic acidPantothenic acidME3077836613C12276690887291
phenylalaninePhenylalanineME3077826140C00079537804218
phosphatePhosphoric acidME3077811004C00009345365314
phosphoethanolaminePhosphoethanolamineME3077801015C00346604335299
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME3077799378C03672654036308
prolineProlineME307778145742C00148364523142
pseudo uridinePseudouridineME30777715047C02067813899217
raffinoseRaffinoseME307776439242C004921120886361
ribitolRibitolME307775827C00474575497217
ribonic acidRibonic acidME3077745460677C01685597646292
riboseRiboseME3077735779C00121553135217
ricinoleic acidRicinoleic acidME307772--842790187
serineSerineME3077715951C00065395020218
shikimic acidShikimic acidME3077708742C00493611100204
sorbitolSorbitolME3077695780C00794667922217
squaleneSqualeneME307768638072C0075197623795
stearic acidStearic acidME3077675281C01530787622117
succinic acidSuccinic acidME3077661110C00042370608247
sucroseSucroseME3077655988C00089915139271
threitolThreitolME307764169019C16884467595217
threonic acidThreonic acidME3077635460407C01620497572292
threonineThreonineME3077626288C00188409568218
tocopherol alpha-alpha-TocopherolME307761638015C003761066526237
tocopherol delta-delta-TocopherolME30776092094C14151997765208
tocopherol gamma-gamma-TocopherolME30775992729C024831026121223
trisaccharideHexose trisaccharideME307758871C004201027144361
tyrosineTyrosineME3077576057C00082671252218
UDP-glucuronic acidUDP-glucuronic acidME30775617473C00167585473217
uracilUracilME3077551174C00106385735241
ureaUreaME3077541176C00086328888189
uric acidUric acidME3077531175C00366730691441
uridineUridineME3077526029C00299856709224
valineValineME3077516287C00183313502144
xylitolXylitolME3077506912C00379567437217
xylonolactoneD-Xylono-1,5-lactoneME307749439692C02266535176217
xyloseXyloseME307748135191C00181543267103
xyluloseXyluloseME307747439205C00312553450173
zymosterolZymosterolME30774692746C054371088064129


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