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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
iso-galactinolGalactinolME64273611727586C012351001826204
galactinolGalactinolME64270711727586C012351018547204
gamma-tocopherolgamma-TocopherolME64271192729C024831026222223
cerotic acidCerotic acidME64269010469-1032431117
adenosine-5-monophosphateAMPME6426696083C000201040943169
galactinol isomerGalactinolME64270811727586C012351048423204
tocopherolalpha-TocopherolME64280014985C024771067178237
montanic acidMontanic acidME64275910470-1086666117
stigmasterolStigmasterolME642794222284C054421110434159
raffinoseRaffinoseME642784439242C004921121372361
inulotriose 1LevanME64273416219508-1124267217
beta-sitosterolSitosterolME64268522012C017531129771129
diacetone alcohol NISTDiacetone alcoholME64269631256-209137115
pyruvatePyruvic acidME6427821060C00022211146174
propane-1,3-diol NISTPropane-1,3-diolME64277910442C02457214259177
lactic acidLactic acidME642741107689C00186216442117
phenolPhenolME642772996C15584217964151
acetohydroxamic acidAcetohydroxamic acidME6426661990C06808222307190
glycolic acidGlycolic acidME642725757C00160227487177
enolpyruvate NISTPhosphoenolpyruvic acidME6426981005C00074234457217
acetophenone NISTAcetophenoneME6426677410C07113238719105
alanineAlanineME6426705950C00041243537116
hydroxylamineHydroxylamineME642729787C00192255313146
oxalic acidOxalic acidME642766971C00209259625147
butyrolactam NIST2-PyrrolidinoneME64268612025C11118277000142
benzylalcoholBenzyl alcoholME642682244C00556281322165
N-methylalanineN-MethylalanineME6427625288725C02721286258130
methanolphosphateMethanolphosphateME64275613130-290941241
valineValineME6428056287C00183313224144
2-phenylpropanol NIST-ME642660447661-317377193
hydroxycarbamate NISTHydroxycarbamic acidME64272816639161-325357278
ureaUreaME6428041176C00086328046171
benzoic acidBenzoic acidME642681243C00180338043179
glycerolGlycerolME642720753C00116344223205
phosphoric acidPhosphoric acidME6427751004C00009344674299
leucineLeucineME6427446106C00123345953158
isoleucineIsoleucineME6427376306C00407358756158
prolineProlineME642778145742C00148364232142
maleic acidMaleic acidME642752444266C01384365286147
isonicotinic acidIsonicotinic acidME6427395922C07446367074180
glycineGlycineME642724750C00037368041174
succinic acidSuccinic acidME6427951110C00042370518147
glyceric acidGlyceric acidME642719439194C00258377001189
fumaric acidFumaric acidME642705444972C00122390708245
serineSerineME6427905951C00065394656204
pyrazine 2,5-dihydroxy NIST-ME64278115532987-396061241
pelargonic acidPelargonic acidME6427708158C01601399163117
pipecolic acidPipecolic acidME642777849C00408401074156
erythronic acid lactoneErythrono-1,4-lactoneME6427015325915-407645147
threonineThreonineME6427996288C00188409403117
2-deoxyerythritol NIST2-DeoxyerythritolME64265718302-422939103
beta-alaninebeta-AlanineME642683239C00099431950248
capric acidCapric acidME6426872969C01571451122117
malateMalic acidME642751222656C00149462908233
threitolThreitolME642797169019C16884467314217
erythritolErythritolME642699222285C00503471274205
N-acetylglutamateN-Acetylglutamic acidME64276170914C00624477593158
salicylic acidSalicylic acidME642789338C00805480445267
aspartic acidAspartic acidME6426805960C00049480543232
methionineMethionineME6427576137C00073483425176
oxoprolineOxoprolineME6427677405C01879486399156
GABAgamma-Aminobutyric acidME642706119C00334488961174
isothreonic acidD-Threonic acidME642740151152C01620489846292
5-hydroxynorvaline NISTL-2-Amino-5-hydroxypentanoic acidME64266395562-494838142
threonic acidThreonic acidME642798151152C01620497167292
cysteineCysteineME642694594C00097501345220
2-hydroxyglutaric acid2-Hydroxyglutaric acidME64265843C02630506359129
alpha ketoglutaric acid2-Oxoglutaric acidME64267351C00026507734198
erythronic acidErythronic acidME6427002781043-512521218
alanine-alanineAla-AlaME6426715484352-523055116
ornithineOrnithineME6427656262C00077527822142
glutamic acidGlutamic acidME64271733032C00025529370246
phenylalaninePhenylalanineME6427736140C00079537760218
xyloseXyloseME642808135191C00181542808103
arabinoseArabinoseME6426747044039C00216546892217
lauric acidLauric acidME6427433893C02679547810117
xylulose NISTXyluloseME6428095289590C00310553050173
riboseRiboseME6427875779C00121553411307
asparagineAsparagineME6426796267C00152553791116
xylitolXylitolME6428076912C00379563718217
arabitolArabitolME642675827C01904566749103
levoglucosanGlucosanME6427462724705-569799204
ribitolRibitolME6427856912C00474572822217
glycerol-beta-phosphatesn-Glycero-2-phosphateME6427232526C02979574994211
fucose 1 + rhamnose 2D-FucoseME64270419466C01018577861117
aconitic acidcis-Aconitic acidME642668643757C00417586574229
putrescinePutrescineME6427801045C00134587728174
glycerol-alpha-phosphatesn-Glycero-3-phosphateME642722754C03189591357299
glucose-1-phosphateGlucose 1-phosphateME64271565533C11450594823217
6-deoxyglucitol NIST6-DeoxyglucitolME642665151266-595333117
ribonic acidRibonic acidME6427865460677C01685598019292
vanillic acidVanillic acidME6428068468C06672598898297
glutamineGlutamineME6427185961C00064600452156
phosphoethanolaminePhosphoethanolamineME6427741015C00346604454100
shikimic acidShikimic acidME6427918742C00493610984204
isocitric acidIsocitric acidME6427351198C00451616685245
citric acidCitric acidME642692311C00158617288273
arginine + ornithineArginineME6426786322C00062619420142
citrullineCitrullineME6426939750C00327622791256
dehydroascorbateL-Dehydroascorbic acidME642695210328C00425633331173
quinic acidQuinic acidME6427836508C00296634218255
fructoseFructoseME6427035984C00095638631307
galactoseGalactoseME6427106036C00124647787160
allantoinAllantoinME642672204C01551647887331
glucoseGlucoseME6427145793C00031649920160
1,2-anhydro-myo-inositol NIST1,2-Anhydro-myo-inositolME642655119054-652000318
lysineLysineME6427505962C00047663088156
mannitolMannitolME6427536251C00392665209103
sorbitolSorbitolME642792453C00794667682103
tyrosineTyrosineME6428036057C00082671085218
4-hydroxycinnamic acidcis-p-Coumaric acidME642661637542C00811674632219
pentadecanoic acidPentadecylic acidME64277113849C16537674704132
mannonic acid NISTMannonic acidME6427543246006C00514689431333
pantothenic acidPantothenic acidME642769988C00864691214103
galactonic acidGalactonic acidME64270912310779C00880692399292
gluconic acidGluconic acidME64271310690C00257693140333
idonic acid NIST-ME642730193325-698217333
2-palmitoleic acidGaidic acidME6426595282743-709815311
palmitic acidPalmitic acidME642768985C00249713542313
cis-sinapinic acidcis-Sinapic acidME6426911549091-718366338
inositol myo-Myo-inositolME642731892C00137729867305
ferulic acidtrans-Ferulic acidME642702445858C01494733320338
N-acetyl-D-mannosamineN-Acetyl-mannosamineME64276011096158C00645733793205
heptadecanoic acidMargaric acidME64272710465-750645117
octadecanolStearyl alcoholME6427638221D01924755073327
phytolPhytolME642776145386C01389761377143
linoleic acidLinoleic acidME6427485280450C01595777102337
oleic acidOleic acidME642764445639C01712778858339
linolenic acidOctadecatrienoic acidME6427495280934C06427779785108
elaidic acidElaidic acidME642697965C01712780799339
stearic acidStearic acidME6427935281C01530787358117
trans-sinapinic acidSinapic acidME642801637775C00482788461338
isolinoleic acid NIST-ME6427383931-79462995
glycerol-3-galactoside NISTGalactosylglycerolME642721656504C05401803554204
glucose-6-phosphateGlucose 6-phosphateME6427165958C00092809066387
glucoheptuloseGlucoheptuloseME642712102926-828610331
inositol-4-monophosphateInositol 4-phosphateME6427326349C03546845491318
arachidic acidArachidic acidME64267610467C06425856203117
5-methoxytryptamine5-MethoxytryptamineME6426641833C05659863982174
salicinSalicinME642788439503C01451875358217
leucroseLeucroseME642745165577-887898204
arbutinArbutinME64267710348C06186895157254
monopalmitin-1-glycerideMG 16:0/0:0/0:0ME64275814900-901207371
1-tridecanol NIST-ME6426568207C14509911303257
sucroseSucroseME6427965988C00089915457271
inulobioseInulobioseME64273325201864C01711930708204
cellobioseCellobioseME642688439186C00208942646204
trehaloseTrehaloseME6428027427C01083947837191
4-hydroxyphenyl-2-ethylglucopyranoside NIST4-Hydroxyphenyl-2-ethylglucopyranosideME642662159278C06046950408204
lactobionic acidLactobionic acidME6427427314-952195204
guanosineGuanosineME6427266802C00387955097324
cellobiotolCellobiotolME642689160514-956355204
beta-gentiobiosebeta-GentiobioseME642684219994C08240967919204
lignoceric acidLignoceric acidME64274711197C08320977850117
melibioseMelibioseME642755440658C05402981832204


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