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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
phosphatePhosphoric acidME2705731004C00009345365314
pyrophosphatePyrophosphateME2705661023C00013327517110
pyridoxal-5-phosphatePyridoxal 5'-phosphateME2705671051C00018825754219
adenosine-5-monophosphateAMPME2706786083C000201038688169
pyruvic acidPyruvic acidME2705651060C00022211668174
alpha-ketoglutarate2-Oxoglutaric acidME27067551C00026507392198
glycineGlycineME270631750C00037368707248
alanineAlanineME2706775950C00041243971116
succinic acidSuccinic acidME2705541110C00042370608247
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME270546445675C00043625003226
lysineLysineME2706065962C00047663483156
aspartic acidAspartic acidME2706705960C00049480387232
cytidine-5-monophosphateCMPME2706556131C00055700635243
glutamineGlutamineME2706365961C00064600315156
serineSerineME2705605951C00065395020218
methionineMethionineME2705976137C00073483560176
phosphoenolpyruvatePhosphoenolpyruvic acidME27057258114173C00074518184211
ornithineOrnithineME27058288747248C00077619196142
tryptophanTryptophanME2705496305C00078780482202
phenylalaninePhenylalanineME2705746140C00079537804218
tyrosineTyrosineME2705486057C00082671252218
ureaUreaME2705441176C00086336741189
glucose-6-phosphateGlucose 6-phosphateME2706375958C00092818275387
cysteineCysteineME2706575862C00097500158220
beta-alaninebeta-AlanineME270667239C00099435564248
glucose-1-phosphateGlucose 1-phosphateME27063865533C00103594647217
uracilUracilME2705451174C00106385816241
glycerolGlycerolME270634753C00116344466205
ribose-5-phosphateRibose 5-phosphateME270562439167C00117731837315
riboseRiboseME2705635779C00121553078217
fumaric acidFumaric acidME270644444972C00122390016245
leucineLeucineME2706106106C00123345168158
inosine 5'-monophosphateIMPME2706188582C001301016811169
histidineHistidineME2706226274C00135663790154
myo-inositolMyo-inositolME270595892C00137730022305
putrescinePutrescineME2705681045C00138588119174
adenineAdenineME270680190C00147646534264
prolineProlineME270569145742C00148364523142
asparagineAsparagineME2706716267C00152553078188
nicotinamideNiacinamideME270588936C00153471602179
citric acidCitric acidME270659311C00158617342273
mannoseMannoseME27060018950C00159645856205
UDP-glucuronic acidUDP-glucuronic acidME27054717473C00167587601217
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME270683439176C00170967036236
benzoic acidBenzoic acidME270668243C00180339067179
xyloseXyloseME270540135191C00181546699307
valineValineME2705416287C00183313502144
cholesterolCholesterolME2706615997C001871078536129
threonineThreonineME2705516288C00188408777218
ethanolamineEthanolamineME270650700C00189344719174
hydroxylamineHydroxylamineME270620787C00192253158146
gluconic acid lactoneGluconolactoneME2706407027C00198645815220
ribulose-5-phosphateRibulose 5-phosphateME270561439184C00199735908357
maltoseMaltoseME270602439186C00208946601204
adenosineAdenosineME27067960961C00212918039236
arachidonic acidArachidonic acidME270672444899C0021983433991
glucoseGlucoseME27063964689C00221650867319
guanineGuanineME270628764C00242744307352
taurineTaurineME2705531123C00245556690326
palmitic acidPalmitic acidME270579985C00249713809313
glyceric acidGlyceric acidME270635439194C00258377495189
mannose-6-phosphate NISTMannose 6-phosphateME27059965127C00275822643387
inosineInosineME2706196021C00294897434230
orotic acidOrotic acidME270581967C00295586317254
uridineUridineME2705436029C00299856709224
xylulose NISTXyluloseME270539439205C00312553450173
spermidineSpermidineME2705571102C00315792924144
D-erythro-sphingosineSphingosineME2706545280335C00319859500204
4-aminobutyric acid4-Aminopentanoic acidME270686119C00334488730304
phosphoethanolaminePhosphoethanolamineME2705711015C00346603912299
tocopherol alpha-alpha-TocopherolME270550638015C003761066526237
hexitolSorbitolME270625453C00392704741217
isoleucineIsoleucineME2706146306C00407359251158
aconitic acidcis-Aconitic acidME270681643757C00417586815229
5-aminovaleric acid5-Aminopentanoic acidME270684138C00431540425174
N-carbamoylaspartateN-Carbamoylaspartic acidME27058993072C00438611345257
isocitric acidIsocitric acidME2706165318532C00451617338245
ribitolRibitolME270564827C00474575497217
erythritolErythritolME270651222285C00503471922217
lyxitolL-ArabitolME270605439255C00532573587217
3-phosphoglycerate3-Phosphoglyceric acidME270687724C00597610734227
N-acetylglutamateN-Acetylglutamic acidME27059170914C00624604748216
isothreonic acidD-Threonic acidME270613151152C00639489385292
malic acidMalic acidME270603525C00711463180233
oleic acidOleic acidME270584445639C00712781527339
spermine majorSpermineME2705561103C00750952638116
creatinineCreatinineME270658588C00791502599115
sorbitolSorbitolME2705585780C00794667922217
gluconic acidGluconic acidME2706416857417C00800693148333
1-hexadecanolCetyl alcoholME2706972682C00823679596299
aminomalonateAminomalonic acidME270674100714C00872455754218
alpha-aminoadipic acidalpha-Aminoadipic acidME27067692136C00956573295260
4-hydroxybutyric acid4-Hydroxybutyric acidME27068510413C00989325027233
O-phosphoserineDL-O-PhosphoserineME27058357689797C01005624355356
N-acetylaspartic acidN-Acetylaspartic acidME27059265065C01042548028158
fructose-1-phosphateFructose 1-phosphateME270647439394C01094803180387
galactinolGalactinolME27064311727586C012351017580204
cysteine-glycineCys-GlyME270656439498C01419715335220
lactic acidLactic acidME270611612C01432217657191
stearic acidStearic acidME2705555281C01530787622117
capric acidCapric acidME2706622969C01571452386229
linoleic acidLinoleic acidME2706075280450C01595777414150
pelargonic acidPelargonic acidME2705768158C01601399229117
maltotrioseMaltotrioseME270601439586C018351176044361
oxoprolineOxoprolineME2705807405C01879485935156
1-monopalmitinMG 16:0/0:0/0:0ME27069514900C01885901749129
glucoheptuloseGlucoheptuloseME2706425459879C02076828606217
fucose 1FucoseME270645439650C02095578299160
fructoseFructoseME270649439709C02336639442307
2-hydroxyglutaric acid2-Hydroxyglutaric acidME27069243C02630506306247
N-acetylputrescineN-AcetylputrescineME270590122356C02714595523174
hexose-6-phosphateHexose 6-phosphateME270624208C02965831123387
beta-glycerolphosphatesn-Glycero-2-phosphateME2706652526C02979574470243
methionine sulfoxideMethionine sulfoxideME270596158980C02989637588128
guanidinosuccinateGuanidinosuccinic acidME270629439918C03139557299328
glycerol-alpha-phosphatesn-Glycero-3-phosphateME270632754C03189590747357
inositol-4-monophosphateInositol 4-phosphateME270617440043C03546845976315
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME2705709378C03672654036308
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME2706881662C03761521554247
3-aminoisobutyric acid3-Aminoisobutanoic acidME27068964956C05145452655248
fructose-6-phosphateFructose 6-phosphateME270646440641C05345804279315
fructose-1,6-bisphosphateFructose 1,6-bisphosphateME27064810267C05378939046315
glycerol-3-galactosideGalactosylglycerolME27063316048618C05401805227204
zymosterolZymosterolME27053892746C054371088064129
5-methoxytryptamine5-MethoxytryptamineME2706821833C05659864466174
myristic acidMyristic acidME27059411005C06424634414285
arachidic acidArachidic acidME27067310467C06425856421117
docosahexaenoic acidDocosahexaenoic acidME270652445580C0642990281991
maleimideMaleimideME27060410935C07272245118154
1,5-anhydroglucitol1,5-AnhydrosorbitolME27069864960C07326633603217
beta-gentiobiosebeta-GentiobioseME270666441422C08240973116204
sophoroseSophoroseME270559441432C08250962064307
behenic acidBehenic acidME2706698215C08281920648117
lignoceric acidLignoceric acidME27060811197C08320978597132
palmitoleic acidPalmitoleic acidME270578445638C08362704511311
pantothenic acidPantothenic acidME2705776613C12276690887291
dihydrocholesterolDihydrocholesterolME27065366066C129781082070215
octadecylglycerolMG O-18:0ME2705863681C13858928878205
hexadecylglycerol NISTMG O-16:0ME27062672733C13859867593205
cis-gondoic acidcis-Gondoic acidME2706605282768C16526851223367
pentadecanoic acidPentadecylic acidME27057513849C16537674647117
threitolThreitolME270552169019C16884467595217
oleamide NISTOleamideME2705855283387C19670849710144
1-monostearinMG 18:0/0:0/0:0ME27069424699D01947959214203
1,2-anhydro-myo-inositol NIST1,2-Anhydro-myo-inositolME270700119054-651472318
1,3,5-trimethylcyanuric acid-ME270699--416269171
1-monooleinMG 18:1(9Z)/0:0/0:0ME2706965283468-952623129
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME27069323368901-397526241
2-monooleinMG 0:0/18:1(9Z)/0:0ME2706915319879-941794129
2-monopalmitinMG 0:0/16:0/0:0ME270690123409-890356129
beta-hydroxymyristic acid3-Hydroxytetradecanoic acidME270664--703225233
butyrolactam NIST2-PyrrolidinoneME27066312025-277199142
glycyl tyrosineGly-TyrME27063092829-922071174
heptadecanoic acidMargaric acidME27062710465-751309117
hexuronic acid1Hexuronic acidME270623152867-667373160
hydroxycarbamate NISTHydroxycarbamic acidME27062116639161-325318278
isohexonic acid-ME270615604-698302333
lactamideLactamideME27061294220-265698232
levoglucosanGlucosanME2706092724705-569637204
methanolphosphateMethanolphosphateME27059813130-289520241
N-methyl-UMP-ME270593--975846169
octadecanolStearyl alcoholME2705878221-755409327
uridine-5'-monophosphateUMPME2705426030-980179169


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