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


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