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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
2-hydroxyglutaric acid2-Hydroxyglutaric acidME64254943C02630506359129
alpha ketoglutaric acid2-Oxoglutaric acidME64255651C00026507734198
2-ketoisocaproic acidKetoleucineME64255170C00233310629200
2-isopropylmalic acid2-Isopropylmalic acidME64255077---
GABAgamma-Aminobutyric acidME642578119C00334488961174
beta alaninebeta-AlanineME642564239C00099435138174
benzoic acidBenzoic acidME642563243C00180338043179
citric acidCitric acidME642570311C00158617288273
sorbitolSorbitolME642635453C00794667682103
cysteineCysteineME642573594C00097501345220
glycineGlycineME642592750C00037368041174
glycerolGlycerolME642589753C00116344223205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME642591754C03189591357299
guanineGuanineME642593764C00242744497352
arabitolArabitolME642558827C01904566749103
pipecolic acidPipecolic acidME642624849C00408--
inositol myo-Myo-inositolME642597892C00137729867305
palmitic acidPalmitic acidME642621985C00249713542313
putrescinePutrescineME6426271045C00134587728174
citramalateCitramalic acidME6425691081C00815--
spermidineSpermidineME6426361102C00315792258144
succinic acidSuccinic acidME6426391110C00042370518147
uracilUracilME6426481174C0010638590399
ureaUreaME6426491176C00086328046171
xanthineXanthineME6426521188C00385702391353
isocitric acidIsocitric acidME6425991198C00311--
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME6425531662C03761--
1-hexadecanolCetyl alcoholME6425482682C00823--
1,2-anhydro-myo-inositol1,2-Anhydro-myo-inositolME6425472859---
Lauric acidLauric acidME6426043893C02679--
Stearic acidStearic acidME6426375281C01530--
riboseRiboseME6426305779C00121553411307
glucoseGlucoseME6425855793C00031649920160
alanineAlanineME6425555950C00041243537116
serineSerineME6426325951C00065394656204
aspartic acidAspartic acidME6425615960C00049480543232
lysineLysineME6426065962C00047663088156
fructoseFructoseME6425765984C00095638631307
uridineUridineME6426506029C00299856953258
galactoseGalactoseME6425816036C00124647787160
tyrosineTyrosineME6426476057C00082671085218
leucineLeucineME6426056106C00123345953158
methionineMethionineME6426136137C00073483425176
phenylalaninePhenylalanineME6426236140C00079537760218
mannitolMannitolME6426116251C00392--
ornithineOrnithineME6426196262C00077527822142
asparagineAsparagineME6425606267C00152553791116
valineValineME6426516287C00183313224144
threonineThreonineME6426446288C00188409403117
tryptophanTryptophanME6426466305C00078779834202
isoleucineIsoleucineME6426016306C00407358756158
quinic acidQuinic acidME6426286508C00296--
xylitolXylitolME6426536912C00379563718217
oxoprolineOxoprolineME6426207405C01879486399156
trehaloseTrehaloseME6426457427C01083947837191
pelargonic acidPelargonic acidME6426228158C01601399163117
behenic acidBehenic acidME6425628215C08281919675117
octadecanolStearyl alcoholME6426178221D01924755073327
shikimic acidShikimic acidME6426338742C00493610984204
citrullineCitrullineME6425719750C00327622791256
heptadecanoic acidMargaric acidME64259410465-750645117
arachidic acidArachidic acidME64255910467C06425856203117
gluconic acidGluconic acidME64258410690C00257693140333
homoserineHomoserineME64259512647C00263444264128
pseudo uridinePseudouridineME64262615047C02067--
fucoseFucoseME64257719466C01018--
N-acetyl-D-hexosamineN-AcetylhexosamineME64261424139C03136746708103
butyl stearateButyl octadecanoateME64256531278---
glutamic acidGlutamic acidME64258733032C00025529370246
galacturonic acidGalacturonic acidME64258284740C00333670193160
sophoroseSophoroseME64263488719C08250953453319
indole-3-lactateIndolelactic acidME64259692904C02043764543202
lyxitolL-ArabitolME64260794154C00532575571217
glucuronic acidGlucuronic acidME64258694715C00191666743333
taloseTaloseME64264099459---
glucoheptuloseGlucoheptuloseME642583102926-828610331
lactic acidLactic acidME642603107689C00186216442117
xyloseXyloseME642654135191C00181542808103
prolineProlineME642625145742C00148364232142
isothreonic acidD-Threonic acidME642602151152C01620489846292
threonic acidThreonic acidME642643151152C01620497167292
saccharopineSaccharopineME642631160556C00449--
threitolThreitolME642642169019C16884467314217
dehydroascorbateL-Dehydroascorbic acidME642574210328C00425633331173
erythritolErythritolME642575222285C00503471274205
malateMalic acidME642608222656C00149462908233
cellobioseCellobioseME642567439186C00208--
maltoseMaltoseME642610439186C00208946798361
glyceric acidGlyceric acidME642588439194C00258377001189
4-hydroxyprolinecis-4-HydroxyprolineME642554440015C01015--
melibioseMelibioseME642612440658C05402981832204
maleic acidMaleic acidME642609444266C01384365286147
tartaric acidTartaric acidME642641444305C00898--
Oleic acidOleic acidME642618445639C00712--
glycerol-3-galactoside NISTGalactosylglycerolME642590656504C05401803554204
caffeic acidCaffeic acidME6425661549111C01481748306219
cis-caffeic acidCaffeic acidME6425681549111C01481--
ribonic acidRibonic acidME6426295460677C01685598019292
suberyl glycineSuberylglycineME6426386453952-532293188
arabinoseArabinoseME6425577044039C00216546892217
conduritol-beta-epoxideConduritol epoxideME6425729989541---
N-acetyl-D-mannosamineN-Acetyl-mannosamineME64261511096158C00645733793205
galactinolGalactinolME64257911727586C012351017113204
isogalactinolGalactinolME64260011727586C012351047512204
galactonic acidGalactonic acidME64258012310779C00880692399292
nicotianamine(R,S,S)-NicotianamineME64261613892427---
3,6-anhydrogalactose3,6-Anhydro-galactoseME64255216069996C06474589230231
inulobioseInulobioseME64259825201864C01711930708204


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