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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-AnhydrosorbitolME155711-C07326633969217
1-methylhydantoinN-MethylhydantoinME155710--381440100
1-monooleinMG 18:1(9Z)/0:0/0:0ME155709--952623129
1-monopalmitinMG 16:0/0:0/0:0ME155708-C01885901749129
1-monostearinMG 18:0/0:0/0:0ME155707-D01947959214129
2,4-diaminobutyric acid2,4-Diaminobutyric acidME155706-C03283570766174
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME155712--397526241
2,8-dihydroxyquinolineQuinoline-2,8-diolME155705-C06342626989290
2-deoxyguanosineDeoxyguanosineME155704-C00330962182295
2-deoxytetronic acid3,4-Dihydroxybutyric acidME155703--433456189
2-hydroxybutanoic acid2-Hydroxybutyric acidME155702-C05984258161131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME155701-C02630506306247
2-hydroxyhexanoic acid2-Hydroxyhexanoic acidME155700--323093159
2-ketobutyric acid3-Methyl pyruvic acidME155699--24311689
2-ketoisocaproic acidKetoleucineME155698-C0023329047389
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME155697-C11457583925192
3,4-dihydroxycinnamic acidCaffeic acidME155695-C01197748847219
3,4-dihydroxyphenylacetic acid3,4-Dihydroxybenzeneacetic acidME155694-C01161625046179
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME155696--598147179
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME155693-C06474588886231
3-hydroxybutyric acid3-Hydroxybutyric acidME155692-C01089278829191
3-phenyllactic acidPhenyllactic acidME155691--516011193
4-aminobutyric acid4-Aminopentanoic acidME155690-C00334488730304
4-hydroxybenzoate4-Hydroxybenzoic acidME155689-C00156537925223
4-hydroxybutyric acid4-Hydroxybutyric acidME155688-C00989325027233
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME155687-C00642542795179
5-aminovaleric acid5-Aminopentanoic acidME155686-C00431540425174
5-deoxy-5-methylthioadenosine5'-MethylthioadenosineME155685-C00170967036236
5-methoxytryptamine5-MethoxytryptamineME155684-C05659864466174
6-deoxyglucoseQuinovoseME155683-C08352573663117
7-methylguanine NIST7-MethylguanineME155682--768706294
adenineAdenineME155681-C00147646534264
adipic acidAdipic acidME155680-C06104474435111
alanineAlanineME155679-C00041243971116
alanine-alanineAla-AlaME155678--523110116
allantoic acidAllantoic acidME155677-C00499723539259
alpha-ketoglutarate2-Oxoglutaric acidME155676-C00026507392198
aminomalonateAminomalonic acidME155675-C00872455754218
arachidic acidArachidic acidME155674-C06425856421117
arachidonic acidArachidonic acidME155673-C0021983433991
asparagineAsparagineME155672-C00152553078188
aspartic acidAspartic acidME155671-C00049480387232
azelaic acidAzelaic acidME155670-C08261610651317
behenic acidBehenic acidME155669-C08281920648117
benzoic acidBenzoic acidME155668-C00180339067179
beta-alaninebeta-AlanineME155667-C00099435564248
beta-glutamic acidIsoglutamic acidME155666-C05574525547232
beta-glycerolphosphatesn-Glycero-2-phosphateME155665-C02979574470243
beta-sitosterolSitosterolME155664-C017531128225129
biphenylBiphenylME155663--426625154
butyrolactam NIST2-PyrrolidinoneME155662--277199142
capric acidCapric acidME155661-C01571452386229
caprylic acidCaprylic acidME155660-C06423343457201
cellobioseCellobioseME155659-C01971943858160
cholesterolCholesterolME155658-C001871076014129
citric acidCitric acidME155657-C00158617342273
citrullineCitrullineME155656-C00327621404157
creatinineCreatinineME155655-C00791502599115
cystathionine NISTCystathionineME155654-C02291772979218
cysteineCysteineME155653-C00097500158220
cysteine-glycineCys-GlyME155652-C01419715335220
cystineCystineME155651-C01420804619218
cytidineCytidineME155650-C00475937026223
cytosineCytosineME155649-C00380486724254
dehydroascorbic acidL-Dehydroascorbic acidME155648-C05422633423173
D-erythro-sphingosineSphingosineME155647-C00319851609204
digalacturonic acidDigalacturonic acidME155646-C02273980132169
dihydroxyacetoneDihydroxyacetoneME155645-C0018433212089
erythritolErythritolME155644-C00503471922217
ethanolamineEthanolamineME155643-C00189344719174
ferulic acidtrans-Ferulic acidME155642-C01494732779338
fructoseFructoseME155641-C02336641863307
fucoseFucoseME155640-C02095578299160
fumaric acidFumaric acidME155639-C00122392338245
galactinolGalactinolME155638-C012351017580204
galactoseGalactoseME155637-C00984648756319
galacturonic acidGalacturonic acidME155636-C08348678231333
glucoheptuloseGlucoheptuloseME155635-C02076828606217
gluconic acidGluconic acidME155634-C00800693148333
glucoseGlucoseME155633-C00221657941319
glucose-1-phosphateGlucose 1-phosphateME155632-C00103594647217
glutamic acidGlutamic acidME155631-C00025529100246
glutamineGlutamineME155630-C00064600315156
glutamyl-valineGlu-ValME155629--760894156
glutaric acidGlutaric acidME155628-C00489421596261
glyceric acidGlyceric acidME155627-C00258377495189
glycerolGlycerolME155626-C00116344466205
glycerol-3-galactosideGalactosylglycerolME155625-C05401800205204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME155624-C03189590747357
glycineGlycineME155623-C00037368707248
glycolic acidGlycolic acidME155622-C00160227636177
glycyl tyrosineGly-TyrME155621--922071174
gly-proGly-ProME155620--691662373
guanineGuanineME155619-C00242744307352
guanosineGuanosineME155618-C00387954962324
heptadecanoic acidMargaric acidME155617--751309117
hexitolSorbitolME155616-C00392704741217
hexonic acidGluconic acidME155615--698302217
hexuronic acidHexuronic acidME155614--667373160
histidineHistidineME155613-C00135663790154
homocystineDL-HomocystineME155612-C01817874865128
homoserineHomoserineME155611-C00263443878218
hydroxycarbamate NISTHydroxycarbamic acidME155610--325948278
hydroxylamineHydroxylamineME155609-C00192255241146
hypoxanthineHypoxanthineME155608-C00262619128265
indole-3-acetateIndoleacetic acidME155607-C00954684929202
inosineInosineME155606-C00294897184230
inositol-4-monophosphateInositol 4-phosphateME155605-C03546845976315
isoleucineIsoleucineME155604-C00407359251158
isothreonic acidD-Threonic acidME155603-C00639489385292
lactamideLactamideME155602--265698232
lactoseLactoseME155601-C00243935640191
leucineLeucineME155600-C00123346101158
levoglucosanGlucosanME155599--569637204
linoleic acidLinoleic acidME155598-C01595777414150
lysineLysineME155597-C00047663483156
lyxitolL-ArabitolME155596-C00532573587217
lyxoseLyxoseME155595-C00476541086217
maleimideMaleimideME155594-C07272245118154
malic acidMalic acidME155593-C00711463180233
maltoseMaltoseME155592-C00208946601204
maltotrioseMaltotrioseME155591-C018351176044361
mannoseMannoseME155590-C00159645856205
methanolphosphateMethanolphosphateME155589--289520241
methionineMethionineME155588-C00073483560176
methionine sulfoxideMethionine sulfoxideME155587-C02989637588128
methyl O-D-galactopyranosideMethyl beta-D-galactosideME155586-C03619630836204
methyltetrahydrophenanthrenone NIST-ME155585--594337197
myristic acidMyristic acidME155584-C06424634414117
N-acetylaspartic acidN-Acetylaspartic acidME155583-C01042548028158
N-acetyl-D-galactosamineN-Acetyl-D-galactosamineME155582--723255202
N-acetyl-D-hexosamineN-AcetylhexosamineME155581-C03878746341319
N-acetyl-L-ornithineN-AcetylornithineME155580-C00437694651174
N-acetylputrescineN-AcetylputrescineME155579-C02714595523174
n-epsilon-trimethyllysineN-6-TrimethyllysineME155578--512366118
nicotinamideNiacinamideME155577-C00153471602179
nicotinic acidNicotinic acidME155576-C00253366992180
N-methylalanineN-MethylalanineME155575-C02721288133130
norvalineNorvalineME155574-C01826326715144
ornithineOrnithineME155573-C00077619548142
orotic acidOrotic acidME155572-C00295586317254
oxalic acidOxalic acidME155571-C00209260513190
oxoprolineOxoprolineME155570-C01879485935156
palmitic acidPalmitic acidME155569-C00249713809313
pantothenic acidPantothenic acidME155568-C12276690887291
pelargonic acidPelargonic acidME155567-C01601399229117
pentadecanoic acidPentadecylic acidME155566-C16537674647117
phenylacetic acidPhenylacetic acidME155565-C07086368081164
phenylalaninePhenylalanineME155564-C00079537804218
phenylethylaminePhenylethylamineME155563-C05332510327174
phenylpyruvatePhenylpyruvic acidME155562--51775391
phosphatePhosphoric acidME155561-C00009345365314
phosphoethanolaminePhosphoethanolamineME155560-C00346604335299
pinitolPinitolME155559-C03844622466260
pipecolinic acidPipecolic acidME155558--404121156
piperidone2-PiperidinoneME155557--275603156
prolineProlineME155556-C00148364716142
propane-1,3-diol NISTPropane-1,3-diolME155555-C02457214380177
pseudo uridinePseudouridineME155554-C02067813899217
putrescinePutrescineME155553-C00138588119174
pyruvic acidPyruvic acidME155552-C00022213805174
quinic acidQuinic acidME155551-C00296632897345
ribitolRibitolME155550-C00474575497217
ribonic acidRibonic acidME155549-C01685597646292
riboseRiboseME155548-C00121553135217
serineSerineME155547-C00065395020218
sinapinic acidSinapic acidME155546-C20448788416338
sorbitolSorbitolME155545-C00794667922217
spermidineSpermidineME155544-C00315792924144
spermineSpermineME155543--92970286
stearic acidStearic acidME155542-C01530787622117
succinate semialdehydeSuccinic acid semialdehydeME155541-C00232297024113
succinic acidSuccinic acidME155540-C00042370608247
sulfuric acidTG 16:0_18:1_18:1ME155539-C00059285430227
taurineTaurineME155538-C00245558857326
threitolThreitolME155537-C16884467595217
threonic acidThreonic acidME155536-C01620497572292
threonineThreonineME155535-C00188409568218
thymidineThymidineME155534-C00214349402170
thymineThymineME155533-C00178420133255
trans-4-hydroxyprolinetrans-4-HydroxyprolineME155532-C01157460061158
tryptophanTryptophanME155531-C00078780482202
tyrosineTyrosineME155530-C00082671252218
UDP GlcNAcUDP-N-acetylglucosamineME155529-C00043627437226
UDP-glucuronic acidUDP-glucuronic acidME155528-C00167587601217
uracilUracilME155527-C00106385816241
ureaUreaME155526-C00086332913189
uric acidUric acidME155525-C00366730691441
uridineUridineME155524-C00299861508217
urocanic acidUrocanic acidME155523--699866267
valineValineME155522-C00183313502144
vanillic acidVanillic acidME155521-C06672597845297
xanthineXanthineME155520-C00385701688353
xanthosineXanthosineME155519-C01762926133325
xanthurenic acidXanthurenic acidME155518-C02470795062406
xylitolXylitolME155517-C00379567437217
xylonolactone NISTD-Xylono-1,5-lactoneME155516-C02266535176217
xyloseXyloseME155515-C00181543267103
xylulose NISTXyluloseME155514-C00312553450173


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