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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
phosphatePhosphoric acidME2653171004C00009345365314
pyrophosphatePyrophosphateME2653111023C00013327517110
adenosine-5-monophosphateAMPME2654236083C000201038688169
pyruvic acidPyruvic acidME2653101060C00022211003174
glutamic acidGlutamic acidME26538733032C00025529100246
alpha-ketoglutarate2-Oxoglutaric acidME26541951C00026507392198
glycineGlycineME265380750C00037368707248
alanineAlanineME2654215950C00041244189116
succinic acidSuccinic acidME2652971110C00042370608247
UDP GlcNAcUDP-N-acetylglucosamineME265287445675C00043627437226
lysineLysineME2653535962C00047663483156
aspartic acidAspartic acidME2654155960C00049480387232
cytidine-5-monophosphateCMPME2654026131C00055700635243
glutamineGlutamineME2653865961C00064600315156
serineSerineME2653035951C00065395020218
methionineMethionineME2653436137C00073483560176
enolpyruvate NISTPhosphoenolpyruvic acidME2654001005C00074234394217
ornithineOrnithineME2653296262C00077527113142
tryptophanTryptophanME2652896305C00078780482202
phenylalaninePhenylalanineME2653196140C00079537804218
tyrosineTyrosineME2652886057C00082671252218
ureaUreaME2652851176C00086328888189
sucroseSucroseME2652965988C00089912704271
glucose-6-phosphateGlucose 6-phosphateME2653885958C00092818275387
cysteineCysteineME2654045862C00097500158220
beta-alaninebeta-AlanineME265413239C00099435564248
uracilUracilME2652861174C00106385816241
glycerolGlycerolME265383753C00116344466205
riboseRiboseME2653065779C00121553135217
fumaric acidFumaric acidME265394444972C00122392338245
leucineLeucineME2653576106C00123345845158
inosine 5'-monophosphateIMPME2653688582C001301016811169
histidineHistidineME2653746274C00135663790154
myo-inositolMyo-inositolME265339892C00137730022305
adenineAdenineME265425190C00147646701264
prolineProlineME265314145742C00148364716142
asparagineAsparagineME2654166267C00152553078188
nicotinamideNiacinamideME265333936C00153469827179
4-hydroxybenzoate4-Hydroxybenzoic acidME265429135C00156537925223
citric acidCitric acidME265406311C00158617342273
mannoseMannoseME26534618950C00159645856205
glycolic acidGlycolic acidME265379757C00160227636177
thymineThymineME2652911135C00178420133255
benzoic acidBenzoic acidME265414243C00180339067179
xyloseXyloseME265279135191C00181543267103
valineValineME2652826287C00183313502144
threonineThreonineME2652926288C00188409568218
ethanolamineEthanolamineME265397700C00189343800174
hydroxylamineHydroxylamineME265371787C00192255241146
gluconic acid lactoneGluconolactoneME2653907027C00198645815220
maltoseMaltoseME265348439186C00208946601204
oxalic acidOxalic acidME265327971C00209260513190
adenosineAdenosineME26542460961C00212918039236
sarcosineSarcosineME2653047311726C00213266344116
glucoseGlucoseME26538964689C00221659798319
2-ketoisocaproic acidKetoleucineME26543870C0023331076189
lactoseLactoseME265360440995C00243935640191
taurineTaurineME2652951123C00245558857326
palmitic acidPalmitic acidME265324985C00249713809313
isomaltoseIsomaltoseME265363439193C00252993307204
nicotinic acidNicotinic acidME265332938C00253366992180
glyceric acidGlyceric acidME265384439194C00258377495189
hypoxanthineHypoxanthineME265370790C00262619128265
homoserineHomoserineME26537312647C00263443878218
inosineInosineME2653696021C00294897434230
orotic acidOrotic acidME265328967C00295586317254
uridineUridineME2652836029C00299861508217
xylulose NISTXyluloseME265278439205C00312553450173
spermidineSpermidineME2652991102C00315792924144
citrullineCitrullineME2654059750C00327621404157
4-aminobutyric acid4-Aminopentanoic acidME265430119C00334488730304
phosphoethanolaminePhosphoethanolamineME2653161015C00346604335299
uric acidUric acidME2652841175C00366730691441
xylitolXylitolME2652806912C00379567437217
xanthineXanthineME2652811188C00385701688353
guanosineGuanosineME2653786802C00387954962324
isoleucineIsoleucineME2653646306C00407359251158
ribitolRibitolME265308827C00474575497217
glutaric acidGlutaric acidME265385743C00489421596261
raffinoseRaffinoseME265309439242C004921120886361
shikimic acidShikimic acidME2653028742C00493608627204
allantoic acidAllantoic acidME265420203C00499726050259
erythritolErythritolME265398222285C00503471922217
lyxitolL-ArabitolME265352439255C00532573587217
3-phosphoglycerate3-Phosphoglyceric acidME265431724C00597610734227
N-acetylglutamateN-Acetylglutamic acidME26533570914C00624604748216
isothreonic acidD-Threonic acidME265362151152C00639489385292
N-acetylmannosamineN-Acetyl-mannosamineME265334439281C00645735323319
malic acidMalic acidME265350525C00711463180233
oleic acidOleic acidME265330445639C00712779120339
sorbitolSorbitolME2653005780C00794667922217
gluconic acidGluconic acidME2653916857417C00800693148333
parabanic acid NISTParabanic acidME26532167126C00802464991100
saccharic acidGlucaric acidME26530533037C00818699211333
aminomalonateAminomalonic acidME265418100714C00872455754218
4-hydroxybutyric acid4-Hydroxybutyric acidME26542810413C00989325027233
3-hydroxypropionic acidHydroxypropionic acidME26543268152C01013269265177
N-acetylaspartic acidN-Acetylaspartic acidME26533765065C01042548028158
galactinolGalactinolME26539311727586C01235998425204
inulotrioseLevanME26536622833608C013551131821361
cysteine-glycineCys-GlyME265403439498C01419715335220
lactic acidLactic acidME265361612C01432217657191
stearic acidStearic acidME2652985281C01530787622117
capric acidCapric acidME2654092969C01571452386229
linoleic acidLinoleic acidME2653555280450C01595777414150
pelargonic acidPelargonic acidME2653208158C01601399229117
threonic acidThreonic acidME2652935460407C01620497572292
ribonic acidRibonic acidME2653075460677C01685597646292
ergosterolErgosterolME265399444679C016941100305363
beta-sitosterolSitosterolME265411222284C017531128225129
maltotrioseMaltotrioseME265347439586C018351176044361
oxoprolineOxoprolineME2653267405C01879485935156
1-monopalmitinMG 16:0/0:0/0:0ME26544314900C01885901749129
cellobioseCellobioseME2654086255C01971942758361
pseudo uridinePseudouridineME26531215047C02067813899217
glucoheptuloseGlucoheptuloseME2653925459879C02076828606217
methylmalonic acidMethylmalonic acidME265341487C02170311617147
fructoseFructoseME265396439709C02336639442307
propane-1,3-diol NISTPropane-1,3-diolME26531310442C02457214380177
tocopherol gamma-gamma-TocopherolME26529092729C024831026121223
2-hydroxyglutaric acid2-Hydroxyglutaric acidME26543943C02630506306247
lauric acidLauric acidME2653593893C02679547906117
2-aminobutyric acid2-Aminobutyric acidME2654406657C02721286855130
hexose-6-phosphateHexose 6-phosphateME265376208C02965806282387
beta-glycerolphosphatesn-Glycero-2-phosphateME2654122526C02979574470243
methionine sulfoxideMethionine sulfoxideME265342158980C02989637588128
glycerol-alpha-phosphatesn-Glycero-3-phosphateME265381754C03189590747357
inositol-4-monophosphateInositol 4-phosphateME265367440043C03546845976315
1-kestose1-KestoseME265444440080C036611123027361
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME2654331662C03761521554247
n-acetyl-d-hexosamineN-AcetylhexosamineME26533624139C03878746341319
3-aminoisobutyric acid3-Aminoisobutanoic acidME26543464956C05145309837102
phenylethylaminePhenylethylamineME2653181001C05332510327174
fructose-6-phosphateFructose 6-phosphateME265395440641C05345804279315
glycerol-3-galactosideGalactosylglycerolME26538216048618C05401800205204
dehydroascorbic acidL-Dehydroascorbic acidME265401440667C05422633423173
cholic acidCholic acidME265407221493C054631110266253
adipic acidAdipic acidME265422196C06104474435111
myristic acidMyristic acidME26533811005C06424634414285
arachidic acidArachidic acidME26541710467C06425856421117
linolenic acidOctadecatrienoic acidME2653545280934C06427780376108
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME26543516069996C06474588886231
acetophenone NISTAcetophenoneME2654267410C07113238615105
maleimideMaleimideME26535110935C07272245118154
melezitoseMelezitoseME26534592817C082431146704361
sophoroseSophoroseME265301441432C08250965726307
lignoceric acidLignoceric acidME26535611197C08320978597132
palmitoleic acidPalmitoleic acidME265323445638C08362704511311
pantothenic acidPantothenic acidME2653226613C12276690887291
threitolThreitolME265294169019C16884467595217
1-monostearinMG 18:0/0:0/0:0ME26544224699D01947959214203
maltitolMaltitolME265349493591D04845976828361
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME26544123368901-397526241
2-methylglyceric acid NIST2,3-Dihydroxyisobutyric acidME265437560781-372491219
2-monopalmitinMG 0:0/16:0/0:0ME265436123409-890356129
4-hydroxyhippuric acid NIST4-Hydroxyhippuric acidME265427151012-784581294
butyrolactam NIST2-PyrrolidinoneME26541012025-277199142
hexadecaneHexadecaneME26537711006-52596485
hexuronic acidHexuronic acidME265375152867-667373160
hydroxycarbamate NISTHydroxycarbamic acidME26537216639161-325318278
isohexonic acid-ME265365604-698302333
L-DOPADOPAME265358--722149267
methanolphosphateMethanolphosphateME26534413130-289520241
monomyristinMG 14:0ME26534079050-838305343
octadecanolStearyl alcoholME2653318221-755409327
palatinitol1,2,3-ButanetriolME26532588735-996670204
pipecolinic acidPipecolic acidME2653156931662-404121156


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