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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
2,3-Dihydroxybutanoic acid2,3-Dihydroxybutanoic acidME121666----
Anthranilic acid2-Aminobenzoic acidME121648-C00108--
2-aminobutyric acid2-Aminobutyric acidME121586----
2-hydroxypyridine2-HydroxypyridineME121652-C02502--
2-methyl-butyric acid2-Methylbutyric acidME121591----
a-ketoglutarate2-Oxoglutaric acidME121561----
3-amino-2-Piperidone3-Amino-2-piperidoneME121567----
3-Aminosalicylic acid, TMS3-Aminosalicylic acidME121662----
3-Hydroxybutyric acid3-Hydroxybutyric acidME121612-C01089--
3-hydroxypyridine3-HydroxypyridineME121610----
3-Phosphoglyceric acid, TMS3-Phosphoglyceric acidME121599----
5-Hydroxy-tryptophan5-Hydroxy-tryptophanME121566-C00643--
AlanineAlanineME121658-C00041--
AlloisoleucineAlloisoleucineME121637----
Aminomalonic acidAminomalonic acidME121623-C00872--
ArabinofuranoseArabinofuranoseME121603----
Arachidonic acidArachidonic acidME121556-C00219--
AsparagineAsparagineME121549-C00152--
AspartateAspartic acidME121553----
Benzoic acidBenzoic acidME121584-C00180--
Beta-alaninebeta-AlanineME121649----
CadaverineCadaverineME121634-C01672--
Decanoic acidCapric acidME121597-C01571--
Caproic acidCaproic acidME121572-C01585--
Octanoic acidCaprylic acidME121580-C06423--
CholesterolCholesterolME121581-C00187--
Citric acidCitric acidME121602-C00158--
CreatineCreatineME121675-C00300--
CyclohexanoneCyclohexanoneME121646-C00414--
CysteineCysteineME121552-C00097--
CystineCystineME121557-C01420--
Elaidic acidElaidic acidME121676-C01712--
ErythroseErythroseME121635-C02143--
D-FructoseFructoseME121594-C00095--
2-Butenedioic acidFumaric acidME121608-C00122--
Galactonic acidGalactonic acidME121631-C00880--
d-GalactoseGalactoseME121590-C00124--
GlucopyranoseGlucoseME121622----
D-Glucuronic acidGlucuronic acidME121671-C00191--
GlutamateGlutamic acidME121555----
GlyceraldehydeGlyceraldehydeME121636-C02154--
Glyceric acid, TMSGlyceric acidME121574----
GlycerolGlycerolME121625-C00116--
GlycineGlycineME121589-C00037--
Glyoxylic acidGlyoxylic acidME121558-C00048--
Heneicosanoic acidHeneicosylic acidME121642----
L-HomoserineHomoserineME121647-C00263--
Hydroxycarbamic acidHydroxycarbamic acidME121657----
HypotaurineHypotaurineME121550-C00519--
1H-Indole-3-acetic acidIndoleacetic acidME121607-C00954--
InositolInositolME121630-C00137--
IsoleucineIsoleucineME121560-C00407--
3-methyl-2-oxo-butanoic acidKetoisovaleric acidME121598----
LactateLactic acidME121559----
Dodecanoic acidLauric acidME121665-C02679--
L-LeucineLeucineME121673-C00123--
L-LysineLysineME121626-C00047--
MaleimideMaleimideME121661-C07272--
MalateMalic acidME121563----
MannitolMannitolME121621-C00392--
L-methionineMethionineME121579-C00073--
MethylcysteineMethylcysteineME121618----
Myo-InositolMyo-inositolME121638----
Myristic acidMyristic acidME121641-C06424--
Myristoleic acidMyristoleic acidME121569-C08322--
N-Acetyl glucosamineN-Acetyl-D-glucosamineME121592-C00140--
N-acetyl-glycineN-AcetylglycineME121600----
N-Acetylneuraminic acidN-Acetylneuraminic acidME121564-C19909--
N-formyl-glycineN-FormylglycineME121644----
NicotineNicotineME121639-C16386--
Nicotinic acidNicotinic acidME121582-C00253--
L-OrnithineOrnithineME121656-C00077--
OrnithineOrnithineME121609-C00077--
Oxalic acidOxalic acidME121651-C00209--
Hexadecanoic acidPalmitic acidME121601-C00249--
Palmitoleic acidPalmitoleic acidME121585-C08362--
Parabanic acidParabanic acidME121573----
Nonanoic acidPelargonic acidME121615-C01601--
PhenylalaninePhenylalanineME121606-C00079--
Picolinic acidPicolinic acidME121578-C10164--
2-Piperidinecarboxylic acidPipecolic acidME121640-C00408--
ProlineProlineME121632-C00148--
Pseudo uridinePseudouridineME121565-C02067--
5-OxoprolinePyroglutamic acidME121551----
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME121577-C05942--
PyruvatePyruvic acidME121562-C00022--
RibitolRibitolME121650----
D-RibofuranoseRiboseME121653-C00121--
sarcosineSarcosineME121643-C00213--
SerineSerineME121629-C00065--
Glycerolphosphatesn-Glycero-3-phosphateME121554-C00093--
GluticolSorbitolME121655----
SorboseSorboseME121595----
Octadecanoic acidStearic acidME121570-C01530--
SuccinateSuccinic acidME121568----
ThreitolThreitolME121593-C16884--
L-Threonic acidThreonic acidME121620----
ThreonineThreonineME121587-C00188--
L-TryptophanTryptophanME121664-C00078--
L-TyrosineTyrosineME121659-C00082--
UreaUreaME121604-C00086--
Uric acidUric acidME121571-C00366--
XylitolXylitolME121611-C00379--
d-XyloseXyloseME121619-C00181--
1,2-dimethylpropanol-ME121660----
1-hydroxy-1-cyclohexen-ME121668----
2,2'-Bipyridine-ME121628----
2,3'-Dipyridyl-ME121605----
2,4-bishydroxybutanoic acid-ME121576----
2-amino-6-methylaminohexanoic acid-ME121616----
2-oxo-3-methyl-pentanoic acid-ME121617----
2-oxo-4-methylvaleric acid-ME121588----
3,4-bishydroxybutanoic acid-ME121613----
3, 4 dehydroproline-ME121624----
3,6-Dioxa-2,7-disilaoctane, 2,2,4,7,7-pentamethyl--ME121669----
3-hydroxyoxyisovaleric acid-ME121575----
4-Deoxypyridoxine-ME121633----
6-deoxy-mannose-ME121663----
9,12-Octadecadienoic acid (Z,Z)--ME121645----
à-Aminoadipic acid-ME121627----
á-Amino isobutyric acid-ME121670----
à-Hydroxyisobutyric acid-ME121672----
cis-3-Hexenyllactate-ME121614----
Cyclohexyloxy-ME121674----
glycol-ME121583----
N,N-Dimethyl-2-isopropoxyethylamine-ME121667----
Olic acid-ME121654----
Oxanilic acid-ME121596----


Analysis: Reversed phase

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
18-Hydroxycorticosterone18-HydroxycorticosteroneME121715----
1-Pyrroline-2-carboxylic acid1-Pyrroline-2-carboxylic acidME121722-C03564--
2,3-Diaminopropionic acid2,3-Diaminopropionic acidME121771-C06393--
Calcidiol25-Hydroxyvitamin D3ME121737----
3-Hydroxydodecanedioic acid3-Hydroxy-dodecanedioic acidME121696----
3-Indolepropionic acid3-Indolepropionic acidME121700----
3-Pyridylacetic acid3-Pyridylacetic acidME121757----
3-Succinoylpyridine3-SuccinoylpyridineME121732-C19569--
4-Aminohippuric acid4-Aminohippuric acidME121739-D06890--
4-Hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME121683-C01127--
5-Acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME121725-C16365--
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME121699-C05635--
5-Hydroxylysine5-HydroxylysineME121687-C16741--
Delta-hydroxylysine5-HydroxylysineME121754----
5-Methoxytryptophol5-MethoxytryptopholME121728----
5-Phosphoribosylamine5-PhosphoribosylamineME121709-C03090--
6-Phosphogluconic acid6-Phosphogluconic acidME121746-C00345--
AminoacetoneAminoacetoneME121682-C01888--
AndrostenedioneAndrostenedioneME121702-C00280--
ArginineArginineME121768-C00062--
BenzaldehydeBenzaldehydeME121708-C00193--
BenzocaineBenzocaineME121694----
BilirubinBilirubinME121688-C00486--
DecanoylcarnitineCAR 10:0ME121727-C03299--
DodecanoylcarnitineCAR 12:0ME121741----
TetradecanoylcarnitineCAR 14:0ME121740----
PalmitoylcarnitineCAR 16:0ME121760----
trans-Hexadec-2-enoyl carnitineCAR 16:1(2E)ME121717----
StearoylcarnitineCAR 18:0ME121726----
oleoylcarnitineCAR 18:1ME121731----
Linoleyl carnitineCAR 18:2ME121718----
AcetylcarnitineCAR 2:0ME121767----
PropionylcarnitineCAR 3:0ME121681----
ButyrylcarnitineCAR 4:0ME121684----
IsovalerylcarnitineCAR 4:0;3MeME121689----
HexanoylcarnitineCAR 6:0ME121735----
OctanoylcarnitineCAR 8:0ME121736-C02838--
CarnitineCarnitineME121775----
CarnosineCarnosineME121751-C00386--
CholineCholineME121755-C00114--
cis-2-Methylaconitatecis-2-MethylaconitateME121729----
4-hydroxy-prolinecis-4-HydroxyprolineME121759-C01015--
CitrullineCitrullineME121773-C00327--
CystathionineCystathionineME121761-C02291--
Deoxycholic acidDeoxycholic acidME121774-C04483--
Dihydroxyacetone phosphateDihydroxyacetone phosphateME121733-C00111--
EpinephrineEpinephrineME121770-C00788--
Epinephrine glucuronideEpinephrine glucuronideME121686----
Glucose 6-phosphateGlucose 6-phosphateME121748-C00092--
beta-D-Glucopyranuronic acidGlucuronic acidME121707----
GlutamineGlutamineME121752-C00064--
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME121764-C00118--
GlycolaldehydeGlycolaldehydeME121720-C00266--
Hydroxyacetic acidGlycolic acidME121747-C00160--
Guanidineacetic acidGuanidoacetic acidME121769----
GuanineGuanineME121714-C00242--
HexanoylglycineHexanoylglycineME121701----
Homocysteic acidHomocysteic acidME121685-C16511--
HordenineHordenineME121711-C06199--
HypoxanthineHypoxanthineME121756-C00262--
Indoleacrylic acidIndoleacrylic acidME121721-C00331--
Isopentenyl pyrophosphateIsopentenyl-diphosphateME121730-C00129--
Dehydroascorbic acidL-Dehydroascorbic acidME121692-C00425--
Linoelaidic acidLinoelaidic acidME121724----
LysineLysineME121743-C00047--
MethionineMethionineME121758-C00073--
MethylguanidineMethylguanidineME121763-C02294--
N6-Acetyl-L-lysineN6-AcetyllysineME121750----
N-acetyl-glutamineN-AcetylglutamineME121745----
Nicotinuric acidNicotinuric acidME121680-C05380--
NorleucineNorleucineME121772-C01933--
o-Tyrosineo-TyrosineME121742----
OxaloacetateOxaloacetic acidME121744-C00036--
PentosidinePentosidineME121679----
Phenylglyoxylic acidPhenylglyoxylic acidME121704-C02137--
Phenyllactic acidPhenyllactic acidME121749-C01479--
L-phenylalanyl-L-prolinePhe-ProME121698----
PhosphoserinePhosphoserineME121762-C01005--
ProgesteroneProgesteroneME121706-C00410--
Proline betaineProline betaineME121697-C10172--
Quinic acidQuinic acidME121678-C00296--
Glycerophosphocholinesn-Glycero-3-phosphocholineME121677----
Glycerylphosphorylethanolaminesn-Glycero-3-phosphoethanolamineME121712-C01233--
SphingosineSphingosineME121710-C00319--
Sphingosine 1-phosphateSphingosine 1-phosphateME121693-C06124--
SuccinyladenosineSuccinyladenosineME121691----
Tetracosahexaenoic acidTetracosahexaenoic acidME121734----
ThiamineThiamineME121716-C00378--
TiglylglycineTiglylglycineME121713----
2-Hydroxycinnamic acidtrans-o-Coumaric acidME121738-C01772--
Trimethylamine N-oxideTrimethylamine N-oxideME121766-C01104--
Undecanoic acidUndecylic acidME121723-C17715--
UracilUracilME121753-C00106--
ValineValineME121765-C00183--
4,8 dimethylnonanoyl carnitine-ME121690----
6-Dehydrotestosterone glucuronide-ME121719----
Bisnorcholic acid-ME121695----
Glycylprolylhydroxyproline-ME121703----
Homoanserine-ME121705----


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