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


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