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Analysis: GCMS positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,5-anhydroglucitol1,5-AnhydrosorbitolME05344164960C07326633969217
1-monooleinMG 18:1(9Z)/0:0/0:0ME05400053198790952623129
1-monopalmitinMG 16:0/0:0/0:0ME0534423084463C01885901749129
1-monostearinMG 18:0/0:0/0:0ME01775024699D01947959214129
2,3-dihydroxybutanoic acid NIST4-Deoxy-erythronic acidME054031131209010384796292
2-deoxytetronic acid NIST2,4-Dihydroxybutanoic acidME053440192742-390517117
2-hydroxybutanoic acid2-Hydroxybutyric acidME05405811266C05984258161131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME05343843C02630506306247
2-hydroxyvaleric acid2-Hydroxyvaleric acidME05343798009-309587131
2-ketoisocaproic acidKetoleucineME05391970C0023331076189
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME05407991C11457583925192
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME05405616069996C06474590619231
3,6-anhydro-D-glucose3,6-Anhydro-glucoseME05405516069993C06478587617231
3-aminoisobutyric acid3-Amino-isobutanoic acidME05402764956C05145309837102
3-hydroxybutyric acid3-Hydroxybutyric acidME053434441C01089278829191
5-hydroxynorvaline NISTL-2-Amino-5-hydroxypentanoic acidME054078955620494077142
5-methoxytryptamine5-MethoxytryptamineME0534311833C05659864466174
aconitic acidcis-Aconitic acidME053429643757C00417586815229
adenosineAdenosineME01722060961C00212918039236
alanineAlanineME0172185950C00041243971116
alpha-ketoglutarateOxoglutaric acidME05342451C00026507392198
aminomalonateAminomalonic acidME053423100714C00872455754218
arachidonic acidArachidonic acidME017215444899C0021983433991
asparagineAsparagineME0534216267C00152553078188
aspartic acidAspartic acidME0534205960C00049480387232
behenic acidBehenic acidME0534188215C08281920648117
benzoic acidBenzoic acidME053995243C00180339214179
beta-alaninebeta-AlanineME053417239C00099435564248
butane-2,3-diol NIST(S,S)-Butane-2,3-diolME054023262C03046205778117
capric acidCapric acidME0539032969C01571452386229
caprylic acidCaprylic acidME053415379C06423343457201
cholesterolCholesterolME0539015997C001871078536329
citric acidCitric acidME053412311C00158617342273
citrullineCitrullineME0538999750C00327621404157
conduritol-beta-epoxideConduritol epoxideME05399499895410675635318
creatinineCreatinineME053898588C00791502599115
cysteineCysteineME053410594C00097500158220
cysteine-glycineCys-GlyME053409439498C01419715335220
cystineCystineME017210595C01420804619218
dehydroabietic acidDehydroabietic acidME05396015618C12078850374239
dodecanolDodecanolME0172078193C02277507619243
epsilon-caprolactamEpsilon-caprolactamME0539587768C06593353069170
erythritolErythritolME017205222285C00503471922217
ethanolamineEthanolamineME017204700C00189344719174
fructoseFructoseME0538915984C02336641863307
fucose 1FucoseME053404439650C02095578299160
fumaric acidFumaric acidME053403444972C00122390775245
galactonic acidGalactonic acidME054045128869C00880690882292
glucoheptuloseGlucoheptuloseME053402102926C02076828606217
gluconic acidGluconic acidME05340110690C00800693148333
glucoseGlucoseME0538845793C00221659798319
glutamic acidGlutamic acidME05388133032C00025529100246
glutamineGlutamineME0533995961C00064600315156
glyceric acidGlyceric acidME053879439194C00258377495189
glycerolGlycerolME053878753C00116344466205
glycerol-3-galactosideGalactosylglycerolME05387716048618C05401805227204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME053876754C03189590747357
glycineGlycineME053397750C00037368707248
glycolic acidGlycolic acidME017198757C00160227636177
heptadecanoic acidMargaric acidME01719610465-751309117
hexitolSorbitolME053873453C00392704741217
hexuronic acidHexuronic acidME053396152867-667373160
histidineHistidineME0538716274C00135663790154
hydroxylamineHydroxylamineME054076787C00192255241146
hypoxanthineHypoxanthineME053868790C00262619128265
indole-3-acetateIndoleacetic acidME053867802C00954684929202
indole-3-lactateIndolelactic acidME05339392904C02043764586202
inosineInosineME0539486021C00294897184230
isocitric acidIsocitric acidME0539471198C00451616323245
isoheptadecanoic acid NIST15-Methyl palmitic acidME053391164860-737927117
isoleucineIsoleucineME0171936306C00407359251158
isothreonic acid 1PGF2alphaME0533905280363C00639489385292
lactamideLactamideME05338994220-265698232
lactic acidLactic acidME017192107689C01432217657191
lactuloseLactuloseME0538573278275C07064929908204
lauric acidLauric acidME0533883893C02679547906117
leucineLeucineME0538566106C00123346101158
levoglucosanGlucosanME05385527247050569637204
linoleic acidLinoleic acidME0171895280450C01595777414150
linolenic acidalpha-Linolenic acidME0540755280934C06427780376108
lysineLysineME0533875962C00047663483156
lyxitolL-ArabitolME053386439255C00532573587217
maleimideMaleimideME05385210935C07272245118154
malic acidMalic acidME017188222656C00711463180233
maltose 1MaltoseME017187439186C00208946601204
maltotrioseMaltotrioseME054074439586C018351176972361
mannitolMannitolME0171866251C00392663215319
mannoseMannoseME05394418950C00159645856205
melibioseMelibioseME054073440658C05402988497361
methionineMethionineME0533826137C00073483560176
methionine sulfoxideMethionine sulfoxideME053381847C02989637588128
myo-inositolMyo-inositolME053380892C00137730022305
myristic acidMyristic acidME01718211005C06424634414117
n-acetyl-d-hexosamineN-AcetylhexosamineME05403824139C03878746341319
n-acetylglutamateN-Acetylglutamic acidME05337970914C00624477776158
N-acetylglycine NISTN-AcetylglycineME054015109720356109174
N-methylalanineN-MethylalanineME0540725288725C02721288133130
oleamide NISTOleamideME0540715283387C19670849710144
oleic acidOleic acidME053893445639C00712779120339
ornithine 4tmsOrnithineME0171796262C00077619548142
oxalic acidOxalic acidME053374971C00209260513190
oxoprolinePyroglutamic acidME0538387405C01879485935156
palmitic acidPalmitic acidME053373985C00249713809313
palmitoleic acidPalmitoleic acidME017177445638C08362706508117
p-cresolP-CresolME0538332879C01468280360165
pelargonic acidPelargonic acidME0171758158C01601399229117
phenolPhenolME054070996C00146218927151
phenylacetic acidPhenylacetic acidME053371999C07086368081164
phenylalaninePhenylalanineME0533706140C00079537804218
phenylethylaminePhenylethylamineME0533691001C05332510327174
phosphatePhosphoric acidME0538291004C00009345365314
pipecolinic acidPipecolic acidME017174849C00408404121156
piperidone2-PiperidinoneME054010126650275603156
prolineProlineME053367145742C00148364716142
pseudo uridinePseudouridineME05398115047C02067813899217
pyruvic acidPyruvic acidME0540681060C00022211003174
ribonic acidRibonic acidME0540085460677C01685599680292
riboseRiboseME0533635779C00121553135217
serineSerineME0171705951C00065395020218
sorbitolSorbitolME053360453C00794667922217
stearic acidStearic acidME0538165281C01530787622117
succinic acidSuccinic acidME0533581110C00042370608247
sucroseSucroseME0533575988C00089915139271
tagatoseFructoseME0540671101C00795627414307
taurineTaurineME0533561123C00245556690326
threitolThreitolME053355169019C16884467595217
threonic acidD-Threonic acidME053354151152C01620497572292
threonineThreonineME0533536288C00188409568218
tocopherol alpha-RetinalME017217638015C003761067809237
tocopherol gamma-gamma-TocopherolME05392692729C024831026121223
trans-4-hydroxyprolinetrans-4-HydroxyprolineME05335111137200C01157484934140
tryptophanTryptophanME0533506305C00078780482202
tyrosineTyrosineME0171656057C00082671252218
UDP-glucuronic acidUDP-glucuronic acidME05380817473C00167587601217
uracilUracilME0533491174C00106385816241
ureaUreaME0539251176C00086328888189
uric acidUric acidME0533471175C00366730691441
uridineUridineME0171626029C00299856709224
valineValineME0538046287C00183313502144
xanthineXanthineME0171591188C00385701688353
xylitolXylitolME0533466912C00379567437217
xyloseXyloseME017158135191C00181543267103
xylulose NISTL-XyluloseME0538015289590C00312553450173


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