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Analysis: GC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1,2-cyclohexanedioneCyclohexane-1,2-dioneME38126013006C06105552422129
1-kestose1-KestoseME381264440080C036611123027361
1-methyladenosine1-MethyladenosineME38126327476C02494829921259
1-monopalmitinMG 16:0/0:0/0:0ME38126214900C01885901749129
1-monostearinMG 18:0/0:0/0:0ME38126124699D01947959214203
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME381249250402-384796292
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME38124823368901-397526241
2-deoxytetronic acid3,4-Dihydroxybutyric acidME381259150929-433456189
2-hydroxybutanoic acid2-Hydroxybutyric acidME381258440864C05984259536131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME38125743C02630506306247
2-hydroxyhexanoic acid2-Hydroxyhexanoic acidME38125699824-323093159
2-hydroxypyrazinyl-2-propenoic acid ethyl ester NI...-ME3812555371086-493127121
2-hydroxyvaleric acid2-Hydroxyvaleric acidME38125498009-309587131
2-ketoisocaproic acidKetoleucineME38125370C0023331076189
2-monooleinMG 0:0/18:1(9Z)/0:0ME3812525319879-941794129
2-monopalmitinMG 0:0/16:0/0:0ME381251123409-890356129
2-picolinic acidPicolinic acidME3812501018C10164383668180
3,4-dihydroxycinnamic acidCaffeic acidME381241689043C01197748847219
3,4-dihydroxyhydrocinnamic acid NIST3,4-Dihydroxyhydrocinnamic acidME381240348154C10447673176179
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME38124710394C01744598147179
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME38123916069996C06474588886231
3-aminoisobutyric acid3-Aminoisobutanoic acidME38124664956C05145452655248
3-hydroxybutyric acid3-Hydroxybutyric acidME38124592135C01089278829191
3-hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME38124412122C05593527648164
3-hydroxypropionic acidHydroxypropionic acidME38124368152C01013269265177
3-phenyllactic acidPhenyllactic acidME3812423848-516011193
4-aminobutyric acid4-Aminopentanoic acidME381238119C00334488730304
4-hydroxybenzoate4-Hydroxybenzoic acidME381237135C00156537925223
4-hydroxybutyric acid4-Hydroxybutyric acidME38123610413C00989325027233
4-hydroxycinnamic acidcis-p-Coumaric acidME381235637542C00811674616219
4-hydroxyhippuric acid NIST4-Hydroxyhippuric acidME381234151012-784581294
4-hydroxymandelic acid4-Hydroxymandelic acidME381233328C11527601658267
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME381232127C00642542795179
5-aminovaleric acid5-Aminopentanoic acidME381231138C00431536657174
5-hydroxy-3-indoleacetic acid5-Hydroxyindoleacetic acidME3812301826C05635777606290
5-methoxytryptamine5-MethoxytryptamineME3812291833C05659864466174
5-methyluridine NISTRibothymidineME381228--872353259
7-methylguanine NIST7-MethylguanineME38122711361C02242768706294
abietic acidAbietic acidME38122610569C06087862614256
aconitic acidcis-Aconitic acidME381225643757C00417586815229
adenosineAdenosineME38122460961C00212918039236
adipic acidAdipic acidME381223196C06104474435111
alanineAlanineME3812225950C00041244189116
allantoic acidAllantoic acidME381221203C00499726050259
alloxanoic acid NISTAlloxanoic acidME38122094146-584472331
alpha-aminoadipic acidalpha-Aminoadipic acidME38121992136C00956573295260
alpha-ketoglutarate2-Oxoglutaric acidME38121851C00026507392198
aminomalonateAminomalonic acidME381217100714C00872455754218
arachidic acidArachidic acidME38121610467C06425856421117
arachidonic acidArachidonic acidME381215444899C0021983433991
ascorbic acidVitamin CME38121454670067C00072672898332
asparagineAsparagineME3812136267C00152553078188
aspartic acidAspartic acidME3812125960C00049480387232
behenic acidBehenic acidME3812118215C08281920648117
beta-alaninebeta-AlanineME381210239C00099435564248
beta-gentiobiosebeta-GentiobioseME381209441422C08240965404160
beta-sitosterolSitosterolME381208222284C017531128225129
butyrolactam NIST2-PyrrolidinoneME38120712025-277199142
capric acidCapric acidME3812062969C01571452386229
cellobioseCellobioseME3812056255C01971932179204
cholesterolCholesterolME3812045997C001871078536129
cis-gondoic acidcis-Gondoic acidME3812035282768C16526847372367
citric acidCitric acidME381202311C00158617342273
conduritol-beta-epoxideConduritol epoxideME3812019989541-675635318
creatinineCreatinineME381200588C00791502599115
cysteineCysteineME3811995862C00097500158220
cystineCystineME381198595C01420796604218
cytosinCytosineME381197597C00380486724254
daidzeinDaidzeinME3811965281708C102081013259398
dehydroabietic acidDehydroabietic acidME38119594391C12078850374239
dehydroascorbic acidL-Dehydroascorbic acidME381194440667C05422633423173
deoxypentitol1-Deoxy-D-ribitolME381193270738-528774231
dihydrocholesterolDihydrocholesterolME38119266066C129781082070215
docosahexaenoic acidDocosahexaenoic acidME381191445580C0642990281991
enolpyruvate NISTPhosphoenolpyruvic acidME3811901005C00074234394217
erythritolErythritolME381189222285C00503471922217
erythroseErythroseME381188439574C01796443306205
ethanolamineEthanolamineME381187700C00189344719174
ferulic acidtrans-Ferulic acidME381186445858C01494732779338
fucoseFucoseME381185439650C02095578299160
fumaric acidFumaric acidME381184444972C00122390016245
galactinolGalactinolME38118311727586C012351017580204
galactitolGalactitolME3811825460044C01507669079319
galactonic acidGalactonic acidME381181128869C00880690882292
gluconic acidGluconic acidME3811806857417C00800693148333
gluconic acid lactoneGluconolactoneME3811797027C00198645815220
glucoseGlucoseME38117864689C00221657941319
glucose-6-phosphateGlucose 6-phosphateME381177439427C01172810287387
glutamic acidGlutamic acidME38117633032C00025529100246
glutamineGlutamineME3811755961C00064600000156
glyceric acidGlyceric acidME381174439194C00258377495189
glycerolGlycerolME381173753C00116344466205
glycerol-3-galactosideGalactosylglycerolME38117216048618C05401805227204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME381171754C03189590747357
glycineGlycineME381170750C00037368707248
glycocyamineGuanidoacetic acidME381169763C00581511016171
glycolic acidGlycolic acidME381168757C00160227409177
glycyl prolineGly-ProME3811673013625-691357174
guanineGuanineME381166764C00242744307352
heptadecanoic acidMargaric acidME38116510465-751309117
hexadecaneHexadecaneME38116411006-52596485
hexitolSorbitolME381163453C00392704741217
hexuronic acidHexuronic acidME381162152867-667373160
hippuric acidHippuric acidME381161464C01586637795206
histidineHistidineME3811606274C00135663790154
hydrocinnamic acidHydrocinnamic acidME381159--435454104
hydroxycarbamate NISTHydroxycarbamic acidME38115816639161-325318278
hydroxylamineHydroxylamineME381157787C00192255241146
hypoxanthineHypoxanthineME381156790C00262619128265
indole-3-acetateIndoleacetic acidME381155802C00954684929202
indole-3-lactateIndolelactic acidME38115492904C02043764586202
indole-3-propionate3-Indolepropionic acidME381153--732249202
inosineInosineME3811526021C00294897434230
isocitric acidIsocitric acidME3811515318532C00451616323245
isohexonic acid-ME381150604-698302333
isoleucineIsoleucineME3811496306C00407359251158
isoriboseD-RibopyranoseME38114810975657-558730217
isothreonic acidD-Threonic acidME381147151152C00639489385292
keto-hexonic acid-ME38114650-645885349
ketohexoseKetohexoseME381145439312C00795627414307
kynurenic acidKynurenic acidME3811443845C01717726186231
lactamideLactamideME38114394220-265698232
lactic acidLactic acidME381142612C01432217657191
lauric acidLauric acidME3811413893C02679547906117
leucineLeucineME3811406106C00123345845158
levoglucosanGlucosanME3811392724705-569637204
linoleic acidLinoleic acidME3811385280450C01595777414150
linolenic acidOctadecatrienoic acidME3811375280934C06427780376108
lysineLysineME3811365962C00047663483156
lyxitolL-ArabitolME381135439255C00532573587217
maleimideMaleimideME38113410935C07272245118154
malic acidMalic acidME381133525C00711463180233
malonic acidMalonic acidME381132867C00383305372233
maltitolMaltitolME381131493591D04845976828361
maltoseMaltoseME381130439186C00208946601204
maltotrioseMaltotrioseME381129439586C018351176044361
mannoseMannoseME38112818950C00159645856205
melezitoseMelezitoseME38112792817C082431146704361
methanolphosphateMethanolphosphateME38112613130-289520241
methionineMethionineME3811256137C00073483560176
methionine sulfoxideMethionine sulfoxideME381124158980C02989637588128
mucic acidGalactaric acidME3811233037582C00879709842333
myo-inositolMyo-inositolME381122892C00137730022305
myristic acidMyristic acidME38112111005C06424634414285
N-acetylaspartic acidN-Acetylaspartic acidME38111965065C01042548028158
n-acetyl-d-hexosamineN-AcetylhexosamineME38112024139C03878746341319
N-acetylglutamateN-Acetylglutamic acidME38111870914C00624604748216
N-acetylmannosamineN-Acetyl-mannosamineME381117439281C00645722897319
nicotinamideNiacinamideME381115936C00153469827179
nicotinic acidNicotinic acidME381114938C00253353934180
N-methylalanineN-MethylalanineME3811165288725C02721285825130
octadecanolStearyl alcoholME3811138221-755409327
oleamide NISTOleamideME3811125283387C19670849710144
oleic acidOleic acidME381111445639C00712779120339
ornithineOrnithineME3811106262C00077527113142
orotic acidOrotic acidME381109967C00295586317254
oxalic acidOxalic acidME381108971C00209260513190
oxoprolineOxoprolineME3811077405C01879490513156
palmitic acidPalmitic acidME381105985C00249713809313
palmitoleic acidPalmitoleic acidME381104445638C08362704511311
pantothenic acidPantothenic acidME3811036613C12276690887291
parabanic acid NISTParabanic acidME38110267126C00802464991100
pelargonic acidPelargonic acidME3811018158C01601399229117
pentitolArabitolME381100827D00061563801307
phenaceturic acidPhenylacetylglycineME38109968144C0559865435191
phenylacetic acidPhenylacetic acidME381098999C07086368081164
phenylalaninePhenylalanineME3810976140C00079537804218
phenylpyruvatePhenylpyruvic acidME381096--51775391
phosphoethanolaminePhosphoethanolamineME3810951015C00346603912299
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME3811069378C03672654036308
pimelic acidPimelic acidME381094385C02656523205155
pinitolPinitolME381093164619-624716260
pipecolinic acidPipecolic acidME3810926931662-404121156
piperidone2-PiperidinoneME38109112665-275603156
prolineProlineME381090145742C00148364523142
propane-1,3-diol NISTPropane-1,3-diolME38108910442C02457214380177
pseudo uridinePseudouridineME38108815047C02067813899217
putrescinePutrescineME3810871045C00138588872174
pyrophosphatePyrophosphateME3810861023C00013327517110
pyruvic acidPyruvic acidME3810851060C00022211668174
quinic acidQuinic acidME3810846508C00296632897345
raffinoseRaffinoseME381083439242C004921120886361
ribitolRibitolME381082827C00474575497217
ribonic acidRibonic acidME3810815460677C01685597646292
riboseRiboseME3810805779C00121553078217
saccharic acidGlucaric acidME38107933037C00818699211333
salicylaldehyde2-HydroxybenzaldehydeME3810786998C06202406586193
salicylic acidSalicylic acidME381077338C00805480699267
serineSerineME3810765951C00065395020218
shikimic acidShikimic acidME3810758742C00493611100204
sinapinic acidSinapic acidME38107480642C20448788416338
sorbitolSorbitolME3810735780C00794667922217
stearic acidStearic acidME3810725281C01530787622117
stigmasterolStigmasterolME3810715280794C054421110837255
succinate semialdehydeSuccinic acid semialdehydeME3810701112C00232297024113
succinic acidSuccinic acidME3810691110C00042370608247
sucroseSucroseME3810685988C00089912704271
sulfuric acidTG 16:0_18:1_18:1ME3810671118C00059285430227
taurineTaurineME3810661123C00245556690326
threitolThreitolME381065169019C16884467595217
threonic acidThreonic acidME3810645460407C01620497572292
threonineThreonineME3810636288C00188408777218
thymineThymineME3810621135C00178420133255
tocopherol acetateTocopherol acetateME38106186472C132021081080164
tocopherol alpha-alpha-TocopherolME381060638015C003761067809237
tocopherol beta NISTbeta-tocopherolME3810598989C141521022815223
tocopherol delta- NISTdelta-TocopherolME38105892094C14151997765208
tocopherol gamma-gamma-TocopherolME38105792729C024831026121223
trans-4-hydroxyprolinetrans-4-HydroxyprolineME3810565810C01157484934140
tryptophanTryptophanME3810556305C00078780482202
tyrosineTyrosineME3810546057C00082671252218
UDP-glucuronic acidUDP-glucuronic acidME38105317473C00167587601217
uracilUracilME3810521174C00106385735241
ureaUreaME3810511176C00086332913189
uric acidUric acidME3810501175C00366731038441
uridineUridineME3810496029C00299861508217
urocanic acidUrocanic acidME381048736715C00785699866267
valineValineME3810476287C00183313502144
xanthineXanthineME3810461188C00385701688353
xanthurenic acidXanthurenic acidME3810455699C02470795062406
xylitolXylitolME3810446912C00379567437217
xylonic acidXylonic acidME3810436602431C00502589278333
xyloseXyloseME381042135191C00181546699307
xylulose NISTXyluloseME381041439205C00312553450173
zymosterolZymosterolME38104092746C054371088064129


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