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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
11,14-Eicosadienoic acid11,14-Eicosadienoic acidME121813-C16525--
1,4-ButanediaminePutrescineME121861-C00134--
1H-Indole-3-acetic acidIndoleacetic acidME121846-C00954--
1-Monooleoylglycerol-ME121837----
1-MonopalmitinMG 16:0/0:0/0:0ME121876----
1-stearoyl-rac-glycerolMG 18:0ME121787----
2,3-Dihydroxybutanoic acid2,3-Dihydroxybutanoic acidME121832----
2-deoxy-3,4,5-tris-O-(trimethylsilyl)pentonate-ME121819----
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME121806----
2-hydroxybutyric acid2-Hydroxybutyric acidME121863-C05984--
2-oxo-3-methylbutanoate-ME121860----
2-oxo-3-methylvaleric acid3-Methyl-2-oxovaleric acidME121778----
2-oxo-4-methylvaleric acid-ME121777----
2-Piperidinecarboxylic acidPipecolic acidME121873-C00408--
2-Piperidone, 3-amino-ME121802----
2-pyrrolidone-5-carboxylic acid-ME121824----
3,6-Dioxa-2,7-disilaoctane, 2,2,4,7,7-pentamethyl--ME121871----
3-Hydroxybutyric acid3-Hydroxybutyric acidME121851-C01089--
3-hydroxyisobutyric acid3-Hydroxyisobutyric acidME121856-C01188--
3-hydroxyoxyisovaleric acid-ME121827----
3-hydroxypyridine3-HydroxypyridineME121843----
4-(acetylamino)phenyl-Glucopyranosiduronic acid-ME121853----
4-aminobutyric acid4-Aminopentanoic acidME121845----
4-Hydroxyphenyllactic acid4-Hydroxyphenyllactic acidME121868-C03672--
4-Ketoglucose-ME121872----
(5-Amino-1H-tetraazol-1-yl)acetic acid-ME121810----
5-Deoxypyridoxal-ME121835----
5-oxoprolinePyroglutamic acidME121796-C02237--
6-hydroxy-2-aminohexanoic acid-ME121847----
AlanineAlanineME121790-C00041--
Aminoadipic acidAminoadipic acidME121867-C00956--
Aminomalonic acidAminomalonic acidME121804-C00872--
Anthranilic acid2-Aminobenzoic acidME121821-C00108--
ArabitolArabitolME121807-C01904--
Arachidonic acidArachidonic acidME121780-C00219--
AsparagineAsparagineME121794-C00152--
CadaverineCadaverineME121831-C01672--
Caproic acidCaproic acidME121784-C01585--
CholesterolCholesterolME121812-C00187--
Citric acidCitric acidME121866-C00158--
CreatinineCreatinineME121839-C00791--
CyclohexanoneCyclohexanoneME121858-C00414--
Cyclohexyloxy-ME121842----
CystineCystineME121797-C01420--
cytosineCytosineME121840-C00380--
Decanoic acidCapric acidME121859-C01571--
Decosahexaenoic acid-ME121781----
D-Gluconic acidGluconic acidME121823-C00257--
Elaidic acidElaidic acidME121815-C01712--
Erythrotetrofuranose-ME121822----
EthanolamineEthanolamineME121809-C00189--
FructoseFructoseME121857-C00095--
GlucopyranoseGlucoseME121850----
GlucoseGlucoseME121818-C00031--
GlutamateGlutamic acidME121789----
Glutaric acidGlutaric acidME121803-C00489--
Glyceric acidGlyceric acidME121814-C00258--
GlycerolGlycerolME121785-C00116--
glycerol phosphatesn-Glycero-3-phosphateME121783-C00093--
glycol-ME121855----
Hexadecanoic acidPalmitic acidME121786-C00249--
Hydroxy, acetic acid-ME121805----
Hydroxyglutaric acidHydroxyglutaric acidME121825----
InositolInositolME121820-C00137--
IsoleucineIsoleucineME121779-C00407--
L-2-aminobutyric acid2S-Aminobutyric acidME121836----
laurateLauric acidME121865-C02679--
Linolic acidLinoleic acidME121782-C01595--
L-Val-L-LeuVal-LeuME121776----
LysineLysineME121793-C00047--
Malic acidMalic acidME121800-C00149--
MaltoseMaltoseME121870-C00208--
Mannonic acid, lactone-ME121828----
MethionineMethionineME121817-C00073--
Methyltyrosine-ME121844----
Myo-Inositol, phosphate-ME121852----
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME121830-C01042--
N-Acetyl-L-LysineN(2)-AcetyllysineME121833-C12989--
Nicotinic acidNicotinic acidME121826-C00253--
N,N-DimethylglycineDimethylglycineME121862-C01026--
Octadecanoic acidStearic acidME121848-C01530--
OleamideOleamideME121834----
Oleic acidOleic acidME121854-C00712--
Palmitelaidic acidPalmitelaidic acidME121829-C08362--
PhenylalaninePhenylalanineME121788-C00079--
PhosphatePhosphoric acidME121869----
Phthalic acidPhthalic acidME121875-C01606--
ProlineProlineME121816-C00148--
pyruvic acidPyruvic acidME121798-C00022--
Salicylic acidSalicylic acidME121841-C00805--
SerineSerineME121795-C00065--
Spirophosph-Glucopyranoside-ME121838----
Succinic acidSuccinic acidME121799-C00042--
Tetradecanoic acidMyristic acidME121811-C06424--
Threonic acidThreonic acidME121801-C01620--
ThreonineThreonineME121791-C00188--
thymineThymineME121864-C00178--
TrehaloseTrehaloseME121874-C01083--
TyrosineTyrosineME121792-C00082--
vitamin Ealpha-TocopherolME121808-C02477--
XylitolXylitolME121849-C00379--


Analysis: Reversed phase

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,11-Undecanedicarboxylic acidTridecanedioic acidME121993----
1-Methylxanthine1-MethylxanthineME121901-C16358--
20-Carboxyleukotriene B420-Carboxy-LTB4ME121971-C05950--
2,4-Dichlorophenol2,4-DichlorophenolME121997----
2,8-Dihydroxyadenine-ME121907----
2-Aminobutyric acid2-Aminobutyric acidME121892----
2-cholo-phenylalanine-ME122045----
2-Deoxyribonic acid2-Deoxyribonic acidME121985----
2-Furoylglycine2-FuroylglycineME121972----
2-Hydroxy-2-methylbutyric acid2-Hydroxy-2-methyl-butyric acidME122005----
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME121927-C05123--
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylateME121910-C06050--
2-Phenylacetamide2-PhenylacetamideME121956-C02505--
3,3',4'5-Tetrahydroxystilbene-ME121944----
3,4,5-Trimethoxycinnamic acid3,4,5-Trimethoxycinnamic acidME121989----
3b,16a-Dihydroxyandrostenone sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME121909----
3-Furoic acid3-Furoic acidME121955----
3-Indolebutyric acid3-Indolebutyric acidME121979-C11284--
3-Methylglutaconic acid3E-Methylglutaconic acidME121984----
3-Pyridinebutanoic acid-ME121898----
3-Pyridylacetic acid3-Pyridylacetic acidME122035----
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME121923-C00156--
4-Hydroxybutyric acid4-Hydroxybutyric acidME121930-C00989--
4-hydroxy-prolinecis-4-HydroxyprolineME121949-C01015--
4-methyl-2-oxovaleric acidKetoleucineME121895-C00233--
5-Acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME121926-C16365--
5-Amino-6-ribitylamino uracil5-Amino-6-(D-Ribitylamino)uracilME121970----
5-Methyldeoxycytidine5-MethyldeoxycytidineME121906----
5'-Phosphoribosyl-N-formylglycinamideFGARME121905----
6-Hydroxynicotinic acid6-Hydroxynicotinic acidME121925-C01020--
7b-Hydroxydehydroepiandrosterone-ME121986----
AcetylcarnitineCAR 2:0ME122029----
AcetylglycineN-AcetylglycineME121943----
Allyl isothiocyanateAllyl isothiocyanateME121969----
Alpha-N-Phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME122041-C04148--
AndrostenedioneAndrostenedioneME122040-C00280--
ArabinoseArabinoseME121920----
ArginineArginineME121893-C00062--
Aspartic acidAspartic acidME121883-C00049--
BenzaldehydeBenzaldehydeME121976-C00193--
Beta-alaninebeta-AlanineME121915----
BetaineBetaineME122008-C00719--
Biflorin-ME121900----
BilirubinBilirubinME121978-C00486--
B-Sulfinyl pyruvate-ME122004----
But-2-enoic acidCrotonic acidME121880-C01771--
ButyrylcarnitineCAR 4:0ME121987----
CarnitineCarnitineME121957----
cholineCholineME121965-C00114--
cis-5-TetradecenoylcarnitineCAR 14:1ME122006----
CitrullineCitrullineME121912-C00327--
Coproporphyrin-ME121977----
CortisolCortisolME122038-C00735--
creatinineCreatinineME122043-C00791--
CysteinylglycineCys-GlyME121931----
CytidineCytidineME122012-C00475--
D-Alanyl-D-alanineD-Alanyl-D-AlanineME121914----
DecanoylcarnitineCAR 10:0ME121959-C03299--
Delta-hydroxylysine5-HydroxylysineME121967----
D-Glucuronic acidGlucuronic acidME121947-C00191--
DihydrothymineDihydrothymineME121928-C00906--
DihydrouracilDihydrouracilME121981-C00429--
Dimethylallylpyrophosphate-ME121916----
DimethylbenzimidazoleDimethylbenzimidazoleME121902-C03114--
Dimethyl sulfoneDimethyl sulfoneME122024-C11142--
Dimethyl sulfoxideDimethyl sulfoxideME121996-C11143--
DimethyltryptamineDimethyltryptamineME122023-C08302--
DL-2-Aminooctanoic acid2-Aminocaprylic acidME122014----
DodecanoylcarnitineCAR 12:0ME122011----
dUMPdUMPME121950-C00365--
EcgonineEcgonineME122028-C10858--
Estradiol-17beta 3-sulfateEstradiol-17beta 3-sulfateME121995-C08357--
Estrone sulfateEstrone 3-sulfateME122000-C02538--
GalactoseGalactoseME121980-C00124--
GluconateGluconic acidME121936-C00257--
GlutamineGlutamineME121882-C00064--
GlutamylphenylalanineGlu-PheME121963----
GlutarylglycineGlutarylglycineME122030----
GlutathioneGlutathioneME121889-C00051--
GlycineGlycineME121885-C00037--
Glycocholic acidGlycocholic acidME121933-C01921--
Glycolic acidGlycolic acidME121937-C00160--
Guanidinosuccinic acidGuanidinosuccinic acidME122039-C03139--
Heptadecanoic acidMargaric acidME122046----
HexanoylcarnitineCAR 6:0ME121958----
Hippuric acidHippuric acidME121954-C01586--
HistidineHistidineME122042-C00135--
Histidylproline diketopiperazine-ME122010----
Homocysteic acidHomocysteic acidME122018-C16511--
HomoserineHomoserineME121890-C00263--
Hydrogen sulfite-ME121953----
HypoxanthineHypoxanthineME121948-C00262--
IndoleIndoleME121908-C00463--
Indole-5,6-quinoneIndole-5,6-quinoneME121968-C05579--
Indoleacrylic acidIndoleacrylic acidME122025-C00331--
IndoxylIndoxylME122001-C05658--
Indoxyl sulfateIndoxyl sulfateME121942----
Isohomovanillic acidIsohomovanillic acidME121924----
IsovalerylsarcosineIsovalerylsarcosineME121945----
-Ketoglutaric acid-ME121891----
KynurenineKynurenineME122019-C00328--
Lactic acidLactic acidME121934-C00186--
L-arginineArginineME121964-C00062--
L-beta-aspartyl-L-phenylalanine-ME121894----
LeucineLeucineME122047-C00123--
Leucinic acidLeucinic acidME121946----
L-glycyl-L-hydroxyprolineL-Glycyl-L-hydroxyprolineME121932----
L-RhamnoseRhamnoseME121911----
L(-)-SorboseSorboseME121994----
LysoPC(16:0)LPC 16:0ME122003-C04230--
LysoPC(16:1(9Z))LPC 16:1(9Z)ME122032----
LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z))LPC 22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME122034----
MannitolMannitolME121913-C00392--
Mannitol 1-phosphateMannitol 1-phosphateME122027-C00644--
MannoseMannoseME121878-C00159--
Mesaconic acidMesaconic acidME121896----
Methionine sulfoxideMethionine sulfoxideME121884----
Methylacetoacetic acidMethylacetoacetic acidME121897----
MethylguanidineMethylguanidineME121990-C02294--
Methylmalonic acidMethylmalonic acidME121886-C02170--
MethylnoradrenalineLevonordefrinME121973----
MevalonolactoneMevalonolactoneME121899----
Monoisobutyl phthalic acidMonoisobutyl phthalateME122015----
MyoinositolMyo-inositolME122037-C00137--
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME122022-C05843--
N-a-Acetyl-L-arginineN-AcetylarginineME122031----
N-Acetylgalactosamine 4-sulphateN-Acetyl-D-glucosamineME121917-C00140--
N-Acetylneuraminic acidN-Acetylneuraminic acidME121935-C19909--
N-Formyl-L-methionineN-FormylmethionineME122033-C03145--
N-Glycolylneuraminic acidN-Glycolylneuraminic acidME121992----
Nicotinic acid mononucleotideNicotinic acid mononucleotideME121941----
Norepinephrine sulfateNorepinephrine sulfateME121974----
Norophthalmic acidNorophthalmic acidME121975----
OctanoylcarnitineCAR 8:0ME121960-C02838--
OrnithineOrnithineME121918-C00077--
p-CresolP-CresolME121952-C01468--
Phenylglyoxylic acidPhenylglyoxylic acidME122020-C02137--
PhenylpropionylglycinePhenylpropionylglycineME121939----
phospholic choline-ME121904----
Pipecolic acidPipecolic acidME122009-C00408--
Pregnenolone sulfatePregnenolone sulfateME121940-C18044--
ProgesteroneProgesteroneME122007-C00410--
ProlineProlineME121929-C00148--
Proline betaineProline betaineME121988-C10172--
Propionic acidPropionic acidME121919-C00163--
PseudouridinePseudouridineME122021-C02067--
Pyrrolidonecarboxylic acidPyroglutamic acidME122017-C02237--
QuinoneQuinoneME121991-C00472--
RiboflavinRiboflavinME121998-C00255--
RibothymidineRibothymidineME121983----
Sebacic acidSebacic acidME121922-C08277--
Se-MethylselenocysteineSe-MethylselenocysteineME121888----
SertralineSertralineME121903----
SorboseSorboseME121879----
SphingosineSphingosineME122013-C00319--
Suberic acidSuberic acidME121881-C08278--
Succinic acid semialdehydeSuccinic acid semialdehydeME121961-C00232--
SuccinyladenosineSuccinyladenosineME121962----
TaurineTaurineME121887-C00245--
TestosteroneTestosteroneME122002-C00535--
Tetrahydroneopterin-ME121982----
ThiamineThiamineME121951-C00378--
Traumatic acidTraumatic acidME122016-C16308--
TrimethylamineTrimethylamineME121966-C00565--
Trimethylamine N-OxideTrimethylamine N-oxideME122044----
TryptophanTryptophanME122026-C00078--
Tyramine-O-sulfateTyramine-O-sulfateME121921----
uracilUracilME122036-C00106--
UreaUreaME121999-C00086--
uric acidUric acidME121938-C00366--
ValineValineME121877-C00183--


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