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Analysis: GC 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-AnhydrosorbitolME137330--635618217
1-monostearinMG 18:0/0:0/0:0ME137369--960911399
2-hydroxybutanoic acid2-Hydroxybutyric acidME137343--259826131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME137403--508940247
2-hydroxypyridine2-HydroxypyridineME137332--208194152
3247 melibiose-like-ME137420--979673361
3,4-dihydroxycinnamic acidCaffeic acidME137425--748751219
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME137426--598786179
3-phosphoglycerate3-Phosphoglyceric acidME137442--612470227
4-hydroxypyridine4-PyridoneME137385--282530152
alanineAlanineME137397--244959116
alpha-ketoglutarate2-Oxoglutaric acidME137349--508594198
aminomalonic acidAminomalonic acidME137383--457163218
arabinoseArabinoseME137350--550288217
arabitolArabitolME137438--569134217
arachidiic acidArachidic acidME137344--856790117
asparagine dehydratedAsparagineME137398--476109100
asparagine minorAsparagineME137413--522031159
aspartate minorAspartic acidME137364--433670160
behenic acidBehenic acidME137390--920744117
benzoic acidBenzoic acidME137334--338781179
beta alaninebeta-AlanineME137405--437797248
beta-hydroxybutyric acid3-Hydroxybutyric acidME137338--280289147
butane-2,3-diol nist2,3-ButanediolME137443--207060117
butyrolactam nistN-Methylpyrrolidin-2-oneME137411--277075157
capric acidCapric acidME137357--452601229
catechol (likely)PyrocatecholME137417--377637254
chlorogenic acid majorChlorogenic acidME137365--1052900345
citric acidCitric acidME137336--619803273
cyanoalanineCyanoalanineME137430--404025141
cyclohexylamine 1tmsCyclohexylamineME137356--227703128
cystineCystineME137380--805427218
enolpyruvate nistPhosphoenolpyruvic acidME137423--235895147
fructose 2FructoseME137373--645861217
fructose-6-phosphate 2Fructose 6-phosphateME137412--807433459
fumaric acidFumaric acidME137404--392268245
glucoseGlucoseME137419--651462319
glucose 2GlucoseME137414--659901205
glucose-6-phosphate majorGlucose 6-phosphateME137362--812999387
glucose-6-phosphate minor-ME137429--818222387
glutamine 3TMS majorGlutamineME137381--601223156
glutamine dehydratedGlutamineME137436--519659227
glutaric acidGlutaric acidME137424--422187158
glyceric acidGlyceric acidME137372--379286189
glycerolGlycerolME137328--346514205
glycineGlycineME137326--370374174
glycolic acidGlycolic acidME137388--229350177
guanosineGuanosineME137402--957445324
heptadecanoic acidMargaric acidME137347--751505117
hexanedioic acid, bis(2-ethylhexyl) ester nist (li...-ME137418--841834129
hexose pertms nistHexoseME137331--682759204
hippuric acid 2tmsHippuric acidME137427--616780105
histidine 2HistidineME137378--664188154
hydroxylamineHydroxylamineME137351--256159146
isoleucineIsoleucineME137379--360577158
isothreonic acid 2D-Threonic acidME137391--492628292
isothreonic acid 4D-Threonic acidME137348--500830292
itaconic acidItaconic acidME137416--387493147
lactic acidLactic acidME137352--219176117
leucineLeucineME137375--347456158
linoleic acidLinoleic acidME137339--777348337
lysineLysineME137363--665216156
maleimideMaleimideME137374--244991154
malic acidMalic acidME137389--464809233
malonic acidMalonic acidME137415--306173147
maltotriose 1MaltotrioseME137401--1175784204
maltotriose 2MaltotrioseME137406--1182969361
melibiose minor-ME137422--989429361
methionine (likely)MethionineME137428--483951176
methyltetrahydrophenanthrenone2 nist-ME137345--591810197
myristic acidMyristic acidME137341--634958285
n-acetyl-d-hexosamine 2N-AcetylhexosamineME137396--749226319
n-acetylgalactosamineN-AcetylgalactosamineME137407--725570202
N-acetyl-L-aspartic acid 1N-Acetylaspartic acidME137360--548361158
n-methylalanineN-MethylalanineME137384--288139130
octadecanolStearyl alcoholME137370--755925327
oleic acidOleic acidME137337--779249339
ornithine 3tmsOrnithineME137392--529328142
ornithine 4TMSOrnithineME137377--621417142
oxoprolineOxoprolineME137333--486729156
palmitoleic acidPalmitoleic acidME137354--706886129
pelargonic acidPelargonic acidME137342--399814215
pentadecanoic acidPentadecylic acidME137387--675295299
phenolPhenolME137353--219841151
phosphatePhosphoric acidME137323--347293299
phosphogluconic acidPhosphogluconic acidME137434--847159357
phthalate ester-ME137335--644918149
phthalic acidPhthalic acidME137346--567608147
pinitol (put by literature Tree Physiol)PinitolME137395--626923260
pipecolinic acidPipecolic acidME137439--403737156
possible sucrose-ME137421--916662204
prolineProlineME137376--365741142
pseudo-uridinePseudouridineME137386--815915217
putrescinePutrescineME137437--588605174
ribitol (likely)XylitolME137440--575025217
salicylic acidSalicylic acidME137359--481513267
serineSerineME137367--396979204
serine minorSerineME137361--339553116
shikimic acidShikimic acidME137358--613725204
spermidineSpermidineME137433--792494144
stearic acidStearic acidME137324--788356117
succinic acidSuccinic acidME137394--371358147
taurineTaurineME137435--556874326
threonineThreonineME137368--411756218
trans-4-hydroxy-L-proline minor1trans-4-HydroxyprolineME137382--460442158
tyrosineTyrosineME137371--672235218
udp-n-acetylglucosamineUDP-N-acetylglucosamineME137408--625003226
uracilUracilME137399--386386241
ureaUreaME137329--329250100
uric acidUric acidME137366--731820441
uridine-5'-monophosphateUMPME137441--980460258
uridine minor-ME137400--857855258
valineValineME137355--315026144
valine 1tmsValineME137410--239137156
xyloseXyloseME137409--543312217
z artifact1Aminocaproic acidME137340--38635886
z artifact2Aminocaproic acidME137393--305950228
z artifact3Aminocaproic acidME137431--216545199
z dioctylphtalate-ME137325--891860149
z mstfa artifact-ME137327--269582100
z polysiloxane-ME137432--772952429


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