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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
zymosterolZymosterolME56257992746C054371088064129
xylulose NISTXyluloseME562580439205C00312553450173
xyloseXyloseME562581135191C00181546699307
xylonolactone NISTD-Xylono-1,5-lactoneME562582439692C02266701688353
xanthineXanthineME5625831188C00385597845297
vanillic acidVanillic acidME5625848468C06672313502144
valineValineME5625856287C00183980179169
uridine-5'-monophosphateUMPME5625866030-338716189
ureaUreaME5625871176C00086385735241
uracilUracilME5625881174C00106671252218
tyrosolTyrosolME56258910393C06044780482202
tyrosineTyrosineME5625906057C000821068812271
tryptophanTryptophanME5625916305C00078948197191
trehalose-6-phosphateTrehalose 6-phosphateME562592122336C006891026121223
trehaloseTrehaloseME5625937427C01083510842179
tocopherol gamma-gamma-TocopherolME56259492729C02483420133255
tocopherol alpha-alpha-TocopherolME562595638015C00376608111170
thymineThymineME5625961135C00178349402170
thymidine-5-phosphateTMPME5625979700C00364408777218
thymidineThymidineME5625985789C00214497572292
threonineThreonineME5625996288C00188534291292
threonic acidThreonic acidME5626005460407C01620636627307
threitolThreitolME562601169019C16884653381179
tartaric acidTartaric acidME562602444305C00898912704271
tagatoseD-TagatoseME562603439312C00795370608247
syringic acidSyringic acidME56260410742C10833297024113
sucroseSucroseME5626055988C000891066526237
succinic acidSuccinic acidME5626061110C00042467595217
succinate semialdehydeSuccinic acid semialdehydeME5626071112C00232787622117
stearic acidStearic acidME5626085281C01530667922217
sorbitolSorbitolME5626095780C00794395020218
serineSerineME5626105951C00065405583193
salicylaldehyde2-HydroxybenzaldehydeME5626116998C06202735908357
ribulose-5-phosphateRibulose 5-phosphateME562612439184C00199731096315
ribose-5-phosphateRibose 5-phosphateME562613439167C00117632897345
riboseRiboseME5626145779C00121327517110
quinic acidQuinic acidME5626156508C00296813899217
pyrophosphatePyrophosphateME5626161023C00013364523142
pseudo uridinePseudouridineME56261715047C02067275603156
prolineProlineME562618145742C00148404121156
piperidone2-PiperidinoneME56261912665-523205155
pipecolinic acidPipecolic acidME5626206931662-910976204
pinitolPinitolME562621164619C03844761712143
pimelic acidPimelic acidME562622385C02656770604159
phytosphingosinePhytosphingosineME562623122121C12144654036308
phytolPhytolME5626245280435C01389604335299
phytanic acidPhytanic acidME56262510380830-518184211
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME5626269378C03672348274314
phosphoethanolaminePhosphoethanolamineME5626271015C00346513300174
phosphoenolpyruvatePhosphoenolpyruvic acidME56262858114173C00074537804218
phosphatePhosphoric acidME5626291004C00009368081164
phenylethylaminePhenylethylamineME5626301001C05332674647117
phenylalaninePhenylalanineME5626316140C00079399229117
phenylacetic acidPhenylacetic acidME562632999C07086690887291
pentadecanoic acidPentadecylic acidME56263313849C16537706508311
pelargonic acidPelargonic acidME5626348158C01601710061313
pantothenic acidPantothenic acidME5626356613C12276485935156
palmitoleic acidPalmitoleic acidME562636445638C08362260513190
palmitic acidPalmitic acidME562637985C00249594051174
oxoprolineOxoprolineME5626387405C01879624355356
oxalic acidOxalic acidME562639971C00209622466260
ornithineOrnithineME5626406262C00077553078217
O-phosphoserineDL-O-PhosphoserineME56264157689797C01005779120339
oleic acidOleic acidME562642445639C00712755409327
octadecanolStearyl alcoholME5626438221-366992180
nicotinic acidNicotinic acidME562644938C00253471602179
nicotinamideNiacinamideME562645936C00153694651174
N-acetylornithineN-AcetylornithineME562646439232C00437725570202
N-acetylgalactosamineN-Acetyl-D-galactosamineME562647440552C05021731296319
N-acetyl-D-mannosamineN-Acetyl-mannosamineME562648439281C00645746341319
n-acetyl-d-hexosamineN-AcetylhexosamineME56264924139C03878634414285
myristic acidMyristic acidME56265011005C06424730022305
myo-inositolMyo-inositolME562651892C001371087377117
montanic acidMontanic acidME56265210470-483560176
methionineMethionineME5626536137C00073645856205
mannoseMannoseME56265418950C00159663215319
mannitolMannitolME5626556251C00392463180233
malic acidMalic acidME562656525C00711245118154
maleimideMaleimideME56265710935C07272663483156
lysineLysineME5626585962C00047978597132
lignoceric acidLignoceric acidME56265911197C0832028017686
leucineLeucineME5626607045798C00123547906117
lauric acidLauric acidME5626613893C02679217657191
lactic acidLactic acidME562662612C01432663518117
isopentadecanoic acidIsopentadecylic acidME562663151014-359251158
isoleucineIsoleucineME5626646306C00407737927117
isoheptadecanoic acid NIST15-Methylpalmitic acidME562665164860-434422104
hydrocinnamic acidHydrocinnamic acidME562666107C05629867593205
homoserineHomoserineME56266712647C00263751309117
hexadecylglycerol NISTMG O-16:0ME56266872733C13859744307352
heptadecanoic acidMargaric acidME56266910465-227636177
guanineGuanineME562670764C00242368707248
glycolic acidGlycolic acidME562671757C00160396135146
glycineGlycineME562672750C00037590747357
glycerol-alpha-phosphatesn-Glycero-3-phosphateME562673754C03189377495189
glyceric acidGlyceric acidME562674439194C00258421596261
glutaric acidGlutaric acidME562675743C00489600000156
glutamineGlutamineME5626765961C00064529100246
glutamic acidGlutamic acidME56267733032C00025820524387
glucose-6-phosphateGlucose 6-phosphateME5626785958C00092650867319
glucose-1-phosphateGlucose 1-phosphateME56267965533C00103645815220
glucoseGlucoseME56268064689C00221693148333
gluconic acid lactoneGluconolactoneME5626817027C00198647344319
gluconic acidGluconic acidME5626826857417C00257690882292
galactoseGalactoseME562683439357C00984390016245
galactonic acidGalactonic acidME562684128869C00880578299160
fumaric acidFumaric acidME562685444972C00122804279315
fucoseFucoseME562686439650C02095639442307
fructose-6-phosphateFructose 6-phosphateME562687440641C05345732779338
fructoseFructoseME562688439709C02336344719174
ferulic acidtrans-Ferulic acidME562689445858C01494512029217
ethanolamineEthanolamineME562690700C00189784781129
erythronic acidErythronic acidME5626912781043-859500204
ergosterolErgosterolME562692444679C01694486724254
elaidic acidElaidic acidME562693637517C01712700635243
D-erythro-SphingosineSphingosineME5626945280335C00319675635318
cytosinCytosineME562695597C00380621404157
cytidine-5-monophosphateCMPME5626966131C00055456203247
conduritol-beta-epoxideConduritol epoxideME5626979989541-1033286145
citrullineCitrullineME5626989750C00327452386229
citric acidCitric acidME562699311C00158277199142
citramalic acidCitramalic acidME5627001081C00815764660299
cerotinic acidCerotic acidME56270110469-1128225129
capric acidCapric acidME5627022969C01571703225233
butyrolactam NIST2-PyrrolidinoneME56270312025-594647217
bisphosphoglycerol NIST-ME562704102018-574470243
beta-sitosterolSitosterolME562705222284C01753973116204
beta-hydroxymyristic acid3-Hydroxytetradecanoic acidME562706--435564248
beta-glycerolphosphatesn-Glycero-2-phosphateME5627072526C02979920648117
beta-gentiobiosebeta-GentiobioseME562708441422C08240480387232
beta-alaninebeta-AlanineME562709239C00099856421117
behenic acidBehenic acidME5627108215C082811100305363
aspartic acidAspartic acidME5627115960C00049615341273
arachidic acidArachidic acidME56271210467C06425550621217
arabinoseArabinoseME5627136902C00216507392198
alpha-ketoglutarate2-Oxoglutaric acidME56271451C00026636898188
alanine-alanineAla-AlaME5627155484352C00993240378116
alanineAlanineME5627165950C00041474435111
adipic acidAdipic acidME562717196C061041038688169
adenosine-5-monophosphateAMPME5627186083C00020918039236
adenosineAdenosineME56271960961C00212646701264
adenineAdenineME562720190C00147586815229
aconitic acidcis-Aconitic acidME562721643757C00417573663117
6-deoxyglucoseQuinovoseME562722441480C08352596111319
6-deoxyglucitol NIST6-DeoxyglucitolME562723151266-578784217
6-deoxygalactofuranose NIST-ME56272411953811C02431497561123
5-hydroxymethyl-2-furoic acid NISTSumiki's acidME56272580642C20448967036236
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME562726439176C00170536657174
5-aminovaleric acid5-Aminopentanoic acidME562727138C00431542795179
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME562728127C00642325027233
4-hydroxybutyric acid4-Hydroxybutyric acidME56272910413C00989537925223
4-hydroxybenzoate4-Hydroxybenzoic acidME562730135C00156488730304
4-aminobutyric acid4-Aminopentanoic acidME562731119C00334516011193
3-phosphoglycerate3-Phosphoglyceric acidME562732724C00597269265177
3-phenyllactic acidPhenyllactic acidME5627333848-527648164
3-hydroxypropionic acidHydroxypropionic acidME56273468152C01013774930233
3-hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME56273512122C05593278829191
3-hydroxypalmitic acid3R-Hydroxypalmitic acidME56273615569776-507599267
3-hydroxybutyric acid3-Hydroxybutyric acidME56273792135C01089588886231
3-hydroxybenzoic acid3-Hydroxybenzoic acidME5627387420C00587620200193
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME56273916069996C06474598147179
3,4-dihydroxybenzoic acidProtocatechuic acidME56274072C00230583925192
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME56274110394C01744941794129
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME56274291C11457372491219
2-monooleinMG 0:0/18:1(9Z)/0:0ME5627435319879-610734227
2-methylglyceric acid NIST2,3-Dihydroxyisobutyric acidME562744560781-427677172
2-methylglutaric acid2-Methylglutaric acidME562745--32404889
2-ketoadipic acidOxoadipic acidME56274671C00322508690275
2-isopropylmalic acid2-Isopropylmalic acidME5627475280523C02504309587131
2-hydroxyvaleric acid2-Hydroxyvaleric acidME56274898009-323093159
2-hydroxyhexanoic acid2-Hydroxyhexanoic acidME56274999824-506306247
2-hydroxyglutaric acid2-Hydroxyglutaric acidME56275043C02630258161131
2-hydroxybutanoic acid2-Hydroxybutyric acidME562751440864C05984433456189
2-deoxytetronic acid3,4-Dihydroxybutyric acidME562752150929-521785231
2-deoxypentitol NIST2-Deoxy-D-ribitolME562753249377-535176217
2-aminobutyric acid2-Aminobutyric acidME5627546657C02721285825130
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME56275523368901-397526241
2,4-diaminobutyric acid2,4-Diaminobutyric acidME562756134490C03283570766174
1-monostearinMG 18:0/0:0/0:0ME56275724699D01947959214203
1-monopalmitinMG 16:0/0:0/0:0ME56275814900C01885901749129
1-monooleinMG 18:1(9Z)/0:0/0:0ME5627595283468-952623129
1-hexadecanolCetyl alcoholME5627602682C00823679596299
1,3-diaminopropane1,3-DiaminopropaneME562761428C00986546741174


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