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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
parabanic acidParabanic acidME137505--464991100
gamma-aminobutyric acidgamma-Aminobutyric acidME137584--364801102
pentono-1,4-lactoneRibonolactoneME137503--587644102
linolenic acidOctadecatrienoic acidME137538--780376108
pyrophosphatePyrophosphateME137488--327517110
adipic acidAdipic acidME137633--474435111
succinate semialdehydeSuccinic acid semialdehydeME137473--297024113
creatinineCreatinineME137607--502599115
alanineAlanineME137632--244189116
alanine-alanineAla-AlaME137631--523110116
arachidic acidArachidic acidME137628--856421117
behenic acidBehenic acidME137622--920648117
heptadecanoic acidMargaric acidME137564--751309117
lauric acidLauric acidME137542--547906117
myristic acidMyristic acidME137523--634414117
nonadecanoic acidNonadecylic acidME137516--822782117
pelargonic acidPelargonic acidME137504--399229117
stearic acidStearic acidME137474--787622117
methionine sulfoxideMethionine sulfoxideME137525--605401128
1-monopalmitinMG 16:0/0:0/0:0ME137658--901749129
1-monostearinMG 18:0/0:0/0:0ME137657--959214129
2-monooleinMG 0:0/18:1(9Z)/0:0ME137650--941794129
2-monopalmitinMG 0:0/16:0/0:0ME137649--890356129
cholesterolCholesterolME137613--1078536129
N-methylalanineN-MethylalanineME137517--286855130
2-hydroxybutanoic acid2-Hydroxybutyric acidME137653--258161131
2-hydroxyvaleric acid2-Hydroxyvaleric acidME137651--309587131
ornithineOrnithineME137512--529384142
prolineProlineME137493--364716142
41682 acc mass = ketodeoxyhexonate-ME137645--605091144
valineValineME137451--313502144
hydroxylamineHydroxylamineME137556--253158146
phthalic acidPhthalic acidME137495--567345147
linoleic acidLinoleic acidME137539--777414150
histidineHistidineME137558--664395154
maleimideMaleimideME137534--245118154
glutamineGlutamineME137576--600315156
lysineLysineME137537--663483156
oxoprolineOxoprolineME137509--485935156
pipecolinic acidPipecolic acidME137494--404121156
citrullineCitrullineME137609--623406157
isoleucineIsoleucineME137548--359251158
leucineLeucineME137541--346101158
trans-4-hydroxyprolinetrans-4-HydroxyprolineME137461--460662158
aspartateAspartic acidME137624--433075160
fucoseFucoseME137589--578299160
hexuronic acidHexuronic acidME137559--667373160
adenosine-5-monophosphateAMPME137634--1038688169
cytidine-5-monophosphateCMPME137603--974825169
digalacturonic acidDigalacturonic acidME137601--988150169
inosine-5'-monophosphateIMPME137551--1018687169
thymidineThymidineME137464--349402170
glycocyamineGuanidoacetic acidME137567--511016171
xyluloseXyluloseME137444--553450173
5-methoxytryptamine5-MethoxytryptamineME137639--864466174
ethanolamineEthanolamineME137593--340131174
glutamateGlutamic acidME137578--489240174
phenylethylaminePhenylethylamineME137500--510327174
putrescinePutrescineME137489--588872174
pyruvic acidPyruvic acidME137487--213805174
spermidineSpermidineME137476--774747174
methionineMethionineME137526--483560176
glycolic acidGlycolic acidME137566--227215177
propane-1,3-diol NISTPropane-1,3-diolME137492--214380177
benzoic acidBenzoic acidME137621--339067179
nicotinamideNiacinamideME137519--471602179
nicotinic acidNicotinic acidME137518--353934180
p-tolyl glucuronideP-Cresol glucuronideME137490--847531180
sebacic acid, di(2-octyl) ester-ME137480--968699185
octanoln-OctanolME137514--247010187
asparagineAsparagineME137625--553078188
2-deoxytetronic acid3,4-Dihydroxybutyric acidME137654--433456189
glyceric acidGlyceric acidME137572--377495189
ureaUreaME137454--336356189
xylonic acid isomer-ME137447--590775189
oxalic acidOxalic acidME137510--260513190
3-hydroxybutyric acid3-Hydroxybutyric acidME137647--278829191
lactic acidLactic acidME137545--215238191
lactoseLactoseME137543--935640191
methyltetrahydrophenanthrenone-ME137524--594337197
dodecanoic acid, isopropanol ester-ME137599--536494200
indole-3-acetateIndoleacetic acidME137554--684929202
indole-3-lactateIndolelactic acidME137553--764586202
tryptophanTryptophanME137460--780482202
cellobioseCellobioseME137615--932179204
galactinolGalactinolME137587--1017580204
glycerol-3-galactosideGalactosylglycerolME137570--800205204
isomaltoseIsomaltoseME137547--993307204
levoglucosanGlucosanME137540--569637204
maltoseMaltoseME137532--946601204
shikimic acidShikimic acidME137478--611100204
glycerolGlycerolME137571--344466205
hexadecylglycerolMG O-16:0ME137563--867593205
mannoseMannoseME137530--645856205
21683 glycerol-1-phosphate byproduct-ME137655--524126211
ethanol phosphateEthylphosphateME137594--317291211
phosphoenolpyruvatePhosphoenolpyruvic acidME137498--518184211
glutathioneGlutathioneME137573--761296213
cholestan-3-olEpi-cholestanolME137614--1082070215
N-acetylglutamateN-Acetylglutamic acidME137521--604748216
1,5-anhydroglucitol1,5-AnhydrosorbitolME137660--633969217
enolpyruvatePhosphoenolpyruvic acidME137597--234394217
erythritolErythritolME137596--471922217
glucoheptuloseGlucoheptuloseME137583--828606217
glucose-1-phosphateGlucose 1-phosphateME137580--594647217
hexitolSorbitolME137562--704741217
hexonic acidGluconic acidME137561--698302217
lyxitolL-ArabitolME137536--573587217
pseudo uridinePseudouridineME137491--813899217
ribitolRibitolME137485--575497217
riboseRiboseME137483--553135217
sorbitolSorbitolME137477--667922217
threitolThreitolME137467--467595217
UDP-glucuronic acidUDP-glucuronic acidME137457--585473217
uridineUridineME137452--861508217
xylitolXylitolME137448--567437217
xylonolactoneD-Xylono-1,5-lactoneME137446--535176217
aminomalonateAminomalonic acidME137629--455754218
cystineCystineME137604--804619218
phenylalaninePhenylalanineME137501--537804218
serineSerineME137479--395020218
threonineThreonineME137465--409568218
tyrosineTyrosineME137459--671252218
cysteineCysteineME137606--500158220
cysteine-glycineCys-GlyME137605--715335220
tocopherol gammagamma-TocopherolME137462--1026121223
UDP GlcNAcUDP-N-acetylglucosamineME137458--627437226
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME137456--625003226
3-phosphoglycerate3-Phosphoglyceric acidME137646--610734227
glutamine dehydratedGlutamineME137575--519033227
sulfuric acidTG 16:0_18:1_18:1ME137470--285430227
aconitic acidcis-Aconitic acidME137637--586815229
capric acidCapric acidME137616--452386229
inosineInosineME137552--897184230
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME137648--588886231
aspartic acidAspartic acidME137623--480387232
beta-glutamic acidIsoglutamic acidME137619--525547232
4-hydroxybutyric acid4-Hydroxybutyric acidME137643--325027233
malic acidMalic acidME137533--463180233
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME137641--967036236
adenosineAdenosineME137635--918039236
tocopherol alphaalpha-TocopherolME137463--1067809237
2,5-dihydroxypyrazine2,5-DihydroxypyrazineME137661--397526241
methanolphosphateMethanolphosphateME137527--289520241
uracilUracilME137455--385735241
beta-glycerolphosphatesn-Glycero-2-phosphateME137618--574470243
dodecanolDodecanolME137598--507619243
fumaric acidFumaric acidME137588--392338245
isocitric acidIsocitric acidME137549--616323245
maleic acidMaleic acidME137535--363611245
glutamic acidGlutamic acidME137577--529100246
2-hydroxyglutaric acid2-Hydroxyglutaric acidME137652--506306247
citramalic acidCitramalic acidME137611--456203247
erythronic acid lactoneErythrono-1,4-lactoneME137595--407495247
succinic acidSuccinic acidME137472--370737247
beta-alaninebeta-AlanineME137620--435564248
glycineGlycineME137568--368707248
orotic acidOrotic acidME137511--586317254
allantoic acid dehydrated-ME137630--723539259
glutaric acidGlutaric acidME137574--421596261
adenineAdenineME137636--646534264
hypoxanthineHypoxanthineME137555--619128265
sucroseSucroseME137471--912704271
citric acidCitric acidME137610--617342273
hydroxycarbamateHydroxycarbamic acidME137557--325948278
5-hydroxy-3-indoleacetic acid5-Hydroxyindoleacetic acidME137640--777606290
pantothenic acidPantothenic acidME137506--690887291
2,3-dihydroxybutanoic acid2,3-Dihydroxybutanoic acidME137656--384796292
galactonic acidGalactonic acidME137586--690882292
isothreonic acidD-Threonic acidME137546--489385292
ribonic acidRibonic acidME137484--597646292
tartaric acidTartaric acidME137469--532135292
threonic acidThreonic acidME137466--497572292
4-hydroxyhippuric acid4-Hydroxyhippuric acidME137642--784581294
bisphosphoglycerol-ME137617--764660299
phosphoethanolaminePhosphoethanolamineME137497--603912299
phosphogluconic acidPhosphogluconic acidME137496--847013299
dehydroascorbic acidL-Dehydroascorbic acidME137602--641371303
4-aminobutyric acid4-Aminopentanoic acidME137644--488730304
fructoseFructoseME137592--641863307
xyloseXyloseME137445--546699307
palmitoleic acidPalmitoleic acidME137507--704511311
palmitic acidPalmitic acidME137508--713809313
phosphatePhosphoric acidME137499--345365314
fructose-6-phosphateFructose 6-phosphateME137590--804279315
inositol-4-monophosphateInositol 4-phosphateME137550--846510315
ribose-5-phosphateRibose 5-phosphateME137482--731096315
conduritol-beta-expoxideConduritol epoxideME137608--701723318
glucoseGlucoseME137581--659798319
n-acetyl-d-hexosamineN-AcetylhexosamineME137522--746341319
N-acetylmannosamineN-Acetyl-mannosamineME137520--722897319
guanosineGuanosineME137565--954962324
xanthosineXanthosineME137449--926133325
taurineTaurineME137468--556690326
octadecanolStearyl alcoholME137515--755409327
ascorbic acidVitamin CME137626--672898332
gluconic acidGluconic acidME137582--693148333
oleic acidOleic acidME137513--779120339
xanthineXanthineME137450--701688353
glycerol-alpha-phosphatesn-Glycero-3-phosphateME137569--590747357
ribulose-5-phosphateRibulose 5-phosphateME137481--735908357
1-kestose1-KestoseME137659--1123027361
lactitolLactitolME137544--959541361
maltotrioseMaltotrioseME137531--1176044361
melezitoseMelezitoseME137529--1146704361
melibioseMelibioseME137528--988497361
raffinoseRaffinoseME137486--1120886361
cis-gondoic acidcis-Gondoic acidME137612--847372367
fructose-1-phosphateFructose 1-phosphateME137591--803180387
galactose-6-phosphateGalactose 6-phosphateME137585--828102387
glucose-6-phosphateGlucose 6-phosphateME137579--818275387
hexose-6-phosphateHexose 6-phosphateME137560--806282387
uric acidUric acidME137453--731038441
arachidonic acidArachidonic acidME137627--83711591
doconexentDHAME137600--90281991
phenaceturic acidPhenylacetylglycineME137502--65435191
97455 maybe EPA-ME137638--84076493
squaleneSqualeneME137475--97623795


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