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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
1,2,4-benzenetriol1,2,4-TrihydroxybenzeneME36837710787C02814521803239
1,3,5-trimethylcyanuric acid-ME368376--416269171
1,5-anhydroglucitol1,5-AnhydrosorbitolME36837564960C07326633603217
1-kestose1-KestoseME368374440080C036611123027361
1-monooleinMG 18:1(9Z)/0:0/0:0ME3683735283468-952623129
1-monostearinMG 18:0/0:0/0:0ME36837224699D01947959214203
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME368371250402-384796292
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME36837023368901-397526241
2-aminobutyric acid2-Aminobutyric acidME3683696657C02721286855130
2-deoxytetronic acid3,4-Dihydroxybutyric acidME368368150929-433456189
2-hydroxybutanoic acid2-Hydroxybutyric acidME368367440864C05984259536131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME36836643C02630506306247
2-hydroxyvaleric acid2-Hydroxyvaleric acidME36836598009-309587131
2-ketoisocaproic acidKetoleucineME36836470C0023331076189
2-monooleinMG 0:0/18:1(9Z)/0:0ME3683635319879-941794129
2-picolinic acidPicolinic acidME3683621018C10164383668180
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME36836191C11457583925192
3,4-dihydroxycinnamic acidCaffeic acidME368359689043C01197748847219
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME36836010394C01744598147179
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME36835816069996C06474588886231
3-aminoisobutyric acid3-Aminoisobutanoic acidME36835764956C05145455267248
3-hydroxybutyric acid3-Hydroxybutyric acidME36835692135C01089278632191
3-phosphoglycerate3-Phosphoglyceric acidME368355724C00597610734227
4-aminobutyric acid4-Aminopentanoic acidME368354119C00334488730304
4-hydroxybenzoate4-Hydroxybenzoic acidME368353135C00156537925223
4-hydroxybutyric acid4-Hydroxybutyric acidME36835210413C00989325027233
5-aminovaleric acid5-Aminopentanoic acidME368351138C00431536657174
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME368350439176C00170967036236
5-methoxytryptamine5-MethoxytryptamineME3683491833C05659864466174
6(5h)-benzo[c]phenanthridinone, 11,12-dihydro--ME368348362864-676571247
aconitic acidcis-Aconitic acidME368347643757C00417586815229
adenineAdenineME368346190C00147646534264
adenosineAdenosineME36834560961C00212918039236
adenosine-5-monophosphateAMPME3683446083C000201038688169
adipic acidAdipic acidME368343196C06104474435111
alanineAlanineME3683425950C00041243971116
alanine-alanineAla-AlaME3683415484352C00993522546116
allantoic acidAllantoic acidME368340203C00499726050259
alpha-aminoadipic acidalpha-Aminoadipic acidME36833992136C00956573295260
alpha-ketoglutarate2-Oxoglutaric acidME36833851C00026507392198
altrose-ME368337--651039157
aminomalonateAminomalonic acidME368336100714C00872455754218
arabitolArabitolME36833594154C01904570685217
arachidic acidArachidic acidME36833410467C06425856421117
arachidonic acidArachidonic acidME368333444899C0021983433991
ascorbic acidVitamin CME36833254670067C00072672898332
asparagineAsparagineME3683316267C00152553078188
aspartic acidAspartic acidME3683305960C00049480387232
azelaic acidAzelaic acidME36832919347555C08261610551317
benzoic acidBenzoic acidME368328243C00180338990179
beta-alaninebeta-AlanineME368327239C00099435564248
beta-gentiobiosebeta-GentiobioseME368326441422C08240974676204
beta-glycerolphosphatesn-Glycero-2-phosphateME3683252526C02979574470243
beta-sitosterolSitosterolME368324222284C017531128225129
bisphosphoglycerol-ME368323102018-764660299
butyrolactam NIST2-PyrrolidinoneME36832212025-277199142
capric acidCapric acidME3683212969C01571452386229
cellobioseCellobioseME3683206255C01971932179204
cholesterolCholesterolME3683195997C001871078536129
cholic acidCholic acidME368318221493C054631109517253
cis-gondoic acidcis-Gondoic acidME3683175282768C16526851223367
citric acidCitric acidME368316311C00158615341273
citrullineCitrullineME3683159750C00327621404157
conduritol-beta-epoxideConduritol epoxideME3683149989541-675635318
creatinineCreatinineME368313588C00791502599115
cysteineCysteineME3683125862C00097500158220
cysteine-glycineCys-GlyME368311439498C01419715335220
cystineCystineME368310595C01420804619218
cytidineCytidineME368309--934269223
cytidine-5-monophosphateCMPME3683086131C00055700635243
cytosinCytosineME368307597C00380486724254
dehydroascorbic acidL-Dehydroascorbic acidME368306440667C05422632888173
D-erythro-sphingosineSphingosineME3683055280335C00319859500204
dihydrocholesterolDihydrocholesterolME36830466066C129781082070215
docosahexaenoic acidDocosahexaenoic acidME368303445580C0642990281991
dodecanolDodecanolME3683028193C02277507619243
erythritolErythritolME368301222285C00503471922217
erythronic acid lactoneErythrono-1,4-lactoneME3683005325915C02341407495247
ethanolamineEthanolamineME368298700C00189344675174
ethanol phosphate NISTEthylphosphateME36829974190-317291211
fructoseFructoseME368297439709C02336639442307
fructose-1-phosphateFructose 1-phosphateME368296439394C01094803180387
fructose-6-phosphateFructose 6-phosphateME368295440641C05345804279315
fucoseFucoseME368294439650C02095578299160
fumaric acidFumaric acidME368293444972C00122390016245
galactinolGalactinolME36829211727586C012351002731204
galactonic acidGalactonic acidME368291128869C00880690882292
galactoseGalactoseME368290439357C00984648756319
galactose-6-phosphateGalactose 6-phosphateME368289439404C01113828102387
galacturonic acidGalacturonic acidME368288441476C08348678231333
gluconic acidGluconic acidME3682876857417C00800693148333
glucoseGlucoseME36828664689C00221659798319
glucose-1-phosphateGlucose 1-phosphateME36828565533C00103594647217
glucose-6-phosphateGlucose 6-phosphateME3682845958C00092820524387
glutamic acidGlutamic acidME36828333032C00025527086246
glutamineGlutamineME3682825961C00064600000156
glutaric acidGlutaric acidME368281743C00489421596261
glutathioneGlutathioneME368280124886C00051761296213
glyceric acidGlyceric acidME368279439194C00258377495189
glycerolGlycerolME368278753C00116344428205
glycerol-3-galactosideGalactosylglycerolME36827716048618C05401800205204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME368276754C03189590747357
glycineGlycineME368275750C00037368707248
glycocyamineGuanidoacetic acidME368274763C00581511016171
glycolic acidGlycolic acidME368273757C00160227215177
glycyl tyrosineGly-TyrME36827292829-922071174
guanosineGuanosineME3682716802C00387954962324
heptadecanoic acidMargaric acidME36827010465-751309117
hexadecaneHexadecaneME36826911006-52596485
hexose-6-phosphateHexose 6-phosphateME368268208C02965806282387
hexuronic acidHexuronic acidME368267--673957333
hippuric acidHippuric acidME368266464C01586636836206
histidineHistidineME3682656274C00135663739154
hydrocinnamic acidHydrocinnamic acidME368264107C05629434422104
hydroxycarbamate NISTHydroxycarbamic acidME36826316639161-325948278
hydroxylamineHydroxylamineME368262787C00192250536146
hypoxanthineHypoxanthineME368261790C00262619128265
indole-3-acetateIndoleacetic acidME368260802C00954684929202
indole-3-lactateIndolelactic acidME36825992904C02043764586202
indole-3-propionic acid3-Indolepropionic acidME3682583744-732249202
indoxyl sulfateIndoxyl sulfateME36825710258-577333277
inosineInosineME3682566021C00294897184230
inosine 5'-monophosphateIMPME3682558582C001301016811169
inositol-4-monophosphateInositol 4-phosphateME368254440043C03546845976315
inulotrioseLevanME36825322833608C013551131821361
isocitric acidIsocitric acidME3682525318532C00451617338245
isohexonic acid-ME368251604-698302333
isoleucineIsoleucineME3682506306C00407359251158
isomaltoseIsomaltoseME368249439193C00252983199160
isothreonic acidD-Threonic acidME368248151152C00639489385292
isoxylonic acid-ME36824710264C02341590775189
lactamideLactamideME36824694220-265698232
lactic acidLactic acidME368245612C01432217657191
lactitolLactitolME368244157355C13542959541361
lactobionic acidLactobionic acidME3682437314C04247972139204
lactoseLactoseME368242440995C00243935640191
lauric acidLauric acidME3682413893C02679547906117
leucineLeucineME3682406106C00123346101158
levoglucosanGlucosanME3682392724705-569637204
linoleic acidLinoleic acidME3682385280450C01595777414150
linolenic acidOctadecatrienoic acidME3682375280934C06427780376108
lysineLysineME3682365962C00047663483156
lyxitolL-ArabitolME368235439255C00532573587217
lyxoseLyxoseME368234439240C00476541086217
maleic acidMaleic acidME368233444266C01384363611245
maleimideMaleimideME36823210935C07272245118154
malic acidMalic acidME368231525C00711463180233
maltoseMaltoseME368230439186C00208946601204
maltotrioseMaltotrioseME368229439586C018351176044361
mannoseMannoseME36822818950C00159645856205
mannose-6-phosphateMannose 6-phosphateME36822765127C00275822643387
melezitoseMelezitoseME36822692817C082431146704361
methanolphosphateMethanolphosphateME36822513130-289520241
metharbitalMetharbitalME368224--574906155
methionineMethionineME3682236137C00073483560176
methionine sulfoxideMethionine sulfoxideME368222158980C02989637588128
methylhexose-ME368220560150-616058204
methyl O-D-galactopyranosideMethyl beta-D-galactosideME36822194214C03619630836204
myo-inositolMyo-inositolME368219892C00137730022305
myristic acidMyristic acidME36821811005C06424634414285
N-acetylaspartic acidN-Acetylaspartic acidME36821765065C01042548028158
n-acetyl-d-hexosamineN-AcetylhexosamineME36821624139C03878746341319
N-acetylgalactosamineN-Acetyl-D-galactosamineME368215440552C05021725570202
N-acetylmannosamineN-Acetyl-mannosamineME368214439281C00645735323319
N-acetylputrescineN-AcetylputrescineME368213122356C02714595523174
nicotinamideNiacinamideME368212936C00153471602179
nicotinic acidNicotinic acidME368211938C00253366992180
noradrenalineXi-NorepinephrineME368210439260C00547754841174
octadecanolStearyl alcoholME3682098221-755409327
oleamide NISTOleamideME3682085283387C19670849710144
oleic acidOleic acidME368207445639C00712781527339
ornithineOrnithineME3682066262C00077527113142
orotic acidOrotic acidME368205967C00295586317254
oxalic acidOxalic acidME368204971C00209260513190
oxoprolineOxoprolineME3682037405C01879485935156
palmitic acidPalmitic acidME368202985C00249713809313
palmitoleic acidPalmitoleic acidME368201445638C08362704511311
pantothenic acidPantothenic acidME3682006613C12276690887291
parabanic acid NISTParabanic acidME36819967126C00802464991100
pelargonic acidPelargonic acidME3681988158C01601399229117
pentadecanoic acidPentadecylic acidME36819713849C16537674647117
pentitolArabitolME368196827D00061563801307
pentobarbital NISTPentobarbitalME3681954737C07422605665141
phenylalaninePhenylalanineME3681946140C00079537804218
phenylethylaminePhenylethylamineME3681931001C05332510327174
phosphatePhosphoric acidME3681921004C00009348274314
phosphoenolpyruvatePhosphoenolpyruvic acidME36819158114173C00074518184211
phosphoethanolaminePhosphoethanolamineME3681901015C00346604335299
phosphogluconic acidPhosphogluconic acidME36818991493C00345847013299
pinitolPinitolME368188164619C03844622466260
pipecolinic acidPipecolic acidME3681876931662-404121156
prolineProlineME368186145742C00148364716142
propyleneglycolPropylene glycolME368185--177885117
pseudo uridinePseudouridineME36818415047C02067813899217
p-tolyl glucuronideP-Cresol glucuronideME368183154035-847531180
putrescinePutrescineME3681821045C00138588119174
pyrophosphatePyrophosphateME3681811023C00013327517110
pyruvic acidPyruvic acidME3681801060C00022213805174
quinic acidQuinic acidME3681796508C00296634900345
raffinoseRaffinoseME368178439242C004921120886361
ribitolRibitolME368177827C00474575497217
ribonic acidRibonic acidME3681765460677C01685597646292
riboseRiboseME3681755779C00121553135217
ribose-5-phosphateRibose 5-phosphateME368174439167C00117731837315
ribulose-5-phosphateRibulose 5-phosphateME368173439184C00199735908357
saccharic acidGlucaric acidME36817233037C00818699211333
salicylic acidSalicylic acidME368171338C00805480699267
serineSerineME3681705951C00065395020218
serotoninSerotoninME3681695202C00780863824174
shikimic acidShikimic acidME3681688742C00493611100204
sophoroseSophoroseME368167441432C08250965726307
sorbitolSorbitolME3681665780C00794667922217
squaleneSqualeneME368165638072C0075197623795
stearic acidStearic acidME3681645281C01530787622117
succinate semialdehydeSuccinic acid semialdehydeME3681631112C00232297024113
succinic acidSuccinic acidME3681621110C00042370737247
sucroseSucroseME3681615988C00089912704271
tagatoseD-TagatoseME368160439312C00795636627307
tartaric acidTartaric acidME368159444305C00898534291292
taurineTaurineME3681581123C00245556690326
threitolThreitolME368157169019C16884467595217
threonic acidThreonic acidME3681565460407C01620497572292
threonineThreonineME3681556288C00188408777218
thymidineThymidineME3681545789C00214349402170
thymineThymineME3681531135C00178420133255
tocopherol alpha-alpha-TocopherolME368152638015C003761067809237
trans-4-hydroxy-L-prolinetrans-4-HydroxyprolineME368151--459475158
tryptophanTryptophanME3681506305C00078780482202
tyrosineTyrosineME3681496057C00082671252218
UDP GlcNAcUDP-N-acetylglucosamineME368148445675C00043627437226
UDP-glucuronic acidUDP-glucuronic acidME36814717473C00167587601217
uracilUracilME3681461174C00106385816241
ureaUreaME3681451176C00086326574189
uric acidUric acidME3681441175C00366730691441
uridineUridineME3681436029C00299861508217
uridine-5-monophosphateUMPME3681426030C00105977896169
valineValineME3681416287C00183309359144
xanthineXanthineME3681401188C00385701688353
xanthosineXanthosineME36813964959C01762926133325
xylitolXylitolME3681386912C00379567437217
xylonolactoneD-Xylono-1,5-lactoneME368137439692C02266535176217
xyloseXyloseME368136135191C00181544100103
xylulose NISTXyluloseME368135439205C00312553450173


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