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Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,2-dihydroxyheptadec-16-yn-4-yl acetate-ME1153411----
12(S)-HETE12S-HETEME1153359----
1,3-Diaminopropane1,3-DiaminopropaneME1153412----
1H-indene-3-carboxamide-ME1153413----
1-Linoleoyl glycerolMG 18:2ME1153414----
1-Methyladenine1-MethyladenineME1153415----
1-Methyl Adenosine1-MethyladenosineME1153323----
2-[(1S)-1-Hydroxyethyl]-4(1H)-quinazolinone-ME1153420----
2,3-dihydroxypropyl 12-methyltridecanoate-ME1153417----
2,4-dihydroxyheptadec-16-en-1-yl acetate-ME1153418----
2,4-Dimethylbenzaldehyde-ME1153419----
2-(acetylamino)-3-[4-(acetylamino)phenyl]acrylic a...-ME1153416----
2-Anisidine2-AnisidineME1153421----
2'-DeoxyuridineDeoxyuridineME1153360----
2-Ethylhexyl sulfate-ME1153361----
2-Ethylhydracrylic/2-(hydroxymethyl)butanoi acid-ME1153362----
2-Fluoro-6-(4-methoxyphenoxy)benzonitrile-ME1153422----
2-Hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME1153363----
2-Oxoglutaric acid2-Oxoglutaric acidME1153364----
3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(t...-ME1153423----
3-[2-morpholino-5-(trifluoromethyl)phenyl]-4-pheny...-ME1153427----
3-(4-benzylpiperazino)pyrazine-2-carbonitrile-ME1153424----
3-benzyl-4-hydroxy-5-(4-hydroxyphenyl)-2,5-dihydro...-ME1153428----
3-Hydroxy-2-methyl-4-pyroneMaltolME1153324----
3-Hydroxy-2-methylpyridine-ME1153429----
3-Methoxybenzaldehyde3-MethoxybenzaldehydeME1153430----
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME1153365----
3-Methyladipic/pimelic acid-ME1153366----
3-Methylhistidine3-MethylhistidineME1153325----
3-Phenyllactic acidPhenyllactic acidME1153367----
3-(tert-Butyl)-1-(2,4-dichlorobenzyl)-N-isopropyl-...-ME1153425----
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-o...-ME1153426----
3-Ureidopropionic acidUreidopropionic acidME1153368----
4,4'-Bipyridine4,4'-BipyridineME1153431----
4-Ethynylaniline-ME1153432----
4-Hydroxyprolinecis-4-HydroxyprolineME1153326----
4'-Methoxyacetophenone4'-MethoxyacetophenoneME1153433----
4-Piperidone-ME1153434----
5-acetyl-2,6-dimethyl-1,2,3,4-tetrahydropyridin-4-...-ME1153435----
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME1153369----
5-Methylcytosine5-MethylcytosineME1153370----
5-Nitro-o-toluidine5-Nitro-o-toluidineME1153436----
6-(4-methoxyphenyl)pyrimidine-2,4-diamine-ME1153437----
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol-ME1153438----
6-Methyl-2-pyridinemethanol-ME1153439----
6-Methylquinoline6-MethylquinolineME1153440----
7-Methylguanine7-MethylguanineME1153327----
8-Aminooctanoic acid8-Aminooctanoic acidME1153371----
8-HydroxyquinolineQuinolin-8-olME1153441----
9-Oxo-10(E),12(E)-octadecadienoic acid-ME1153442----
9-Oxo-ODE9-OxoODEME1153443----
AcetophenoneAcetophenoneME1153444----
AcetylcholineAcetylcholineME1153372----
Acetyl-β-methylcholineMethacholineME1153445----
AlanineAlanineME1153373----
AllantoinAllantoinME1153328----
AllopurinolAllopurinolME1153329----
alpha-Linolenic acidalpha-Linolenic acidME1153374----
AMPAMPME1153375----
AnserineAnserineME1153376----
Anthranilic acid2-Aminobenzoic acidME1153377----
Arachidonic acidArachidonic acidME1153378----
BuprenorphineBuprenorphineME1153446----
ButorphanolButorphanolME1153447----
CamphorCamphorME1153330----
CarnitineCarnitineME1153331----
CetrimoniumCetrimoniumME1153448----
cis-Aconitic acidcis-Aconitic acidME1153379----
CitrullineCitrullineME1153332----
CorticosteroneCorticosteroneME1153449----
CortisoneCortisoneME1153333----
CotinineCotinineME1153334----
CreatinineCreatinineME1153380----
Crotonic acidCrotonic acidME1153450----
CytidineCytidineME1153381----
D-Alanine methyl ester-ME1153451----
DeoxyinosineDeoxyinosineME1153382----
Diaminopimelic acidDiaminopimelic acidME1153383----
Diethyleneglycol diacetate-ME1153452----
Dimethyl 2,6-dimethyl-4-(2-thienyl)pyridine-3,5-di...-ME1153453----
Dimethyl cyclohexane-1,4-dicarboxylateDimethyl hexahydroterephthalateME1153454----
DL-MetanephrineMetanephrineME1153455----
DL-StachydrineStachydrineME1153456----
Docosahexanoic acidDHAME1153384----
Dulcitol/Mannitol/Sorbitol-ME1153385----
Eicosapentaenoic acidEicosapentaenoic acidME1153386----
EpinephrineEpinephrineME1153387----
Ethyl palmitoleate-ME1153457----
Ethyl vanillinEthyl vanillinME1153388----
Glutathione disulfideOxidized glutathioneME1153335----
GMPGMPME1153389----
GNH-ME1153458----
HexanoylcarnitineCAR 6:0ME1153459----
HexoseHexoseME1153390----
Hexose dimer-ME1153391----
HistidineHistidineME1153336----
Hypoglycin A-ME1153460----
Indan-1-one 1-(4,5-dihydro-1H-imidazol-2-yl)hydraz...-ME1153461----
Indole-3-acetic acidIndoleacetic acidME1153392----
Indole-3-lactic acidIndole-3-lactic acidME1153393----
InosineInosineME1153337----
Isethionic acid2-HydroxyethanesulfonateME1153394----
IsoleucineIsoleucineME1153338----
Kynurenic acidKynurenic acidME1153395----
LeucineLeucineME1153339----
Linoleic acidLinoleic acidME1153340----
Linoleoyl EthanolamideLinoleoyl-EAME1153462----
mesityl (4-methylphenyl) sulfone-ME1153463----
MethionineMethionineME1153341----
Methionine sulfoxideMethionine sulfoxideME1153396----
MethyprylonMethyprylonME1153464----
MevalonolactoneMevalonolactoneME1153465----
MonooleinMG 18:1ME1153466----
MyristoylcarnitineCAR 14:0ME1153342----
N1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-2-cyano-3-(di...-ME1153470----
N-(2-Methoxyethyl)-3-{5-[(2S)-1-methyl-2-pyrrolidi...-ME1153467----
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME1153471----
N8-AcetylspermidineN8-AcetylspermidineME1153343----
N-Acetyl-alanineN-AcetylalanineME1153397----
N-Acetyl-glutamineN-AcetylglutamineME1153398----
N-Acetyl-glycineN-AcetylglycineME1153344----
N-Acetyl-methionineN-AcetylmethionineME1153399----
N-Acetyl-ornithineN-AcetylornithineME1153345----
N-AcetylputrescineN-AcetylputrescineME1153472----
N-Acetyltyramine-ME1153473----
N-BenzylformamideN-benzylformamideME1153474----
N-FormylmethionineN-FormylmethionineME1153400----
Nicotine amideNiacinamideME1153346----
Nicotinic acidNicotinic acidME1153347----
N-Iso valerylglycineIsovalerylglycineME1153401----
N-Methyloctan-1-amineN-Methyloctan-1-amineME1153475----
N,N-Diethylethanolamine2-DiethylaminoethanolME1153468----
N,N-dimethyl-N'-[2-(5-oxo-4,5-dihydro-1H-pyrazol-4...-ME1153469----
Nor-9-carboxy-δ9-THC-ME1153476----
Noroxycodone-d3StandardME1153477----
Oleoyl ethanolamideOleoyl-EAME1153478----
Palmitoleic acidPalmitoleic acidME1153402----
Pantothenic acidPantothenic acidME1153348----
PEG n12-ME1153479----
PEG n6-ME1153480----
PEG n7-ME1153481----
PEG n8-ME1153482----
Perillartine-ME1153483----
PhenylalaninePhenylalanineME1153349----
PhloroglucinolPhloroglucinolME1153484----
Pipecolinic acidPipecolic acidME1153350----
PutrescinePutrescineME1153485----
Pyridoxamine 5-phosphatePyridoxamine 5'-phosphateME1153486----
Pyroquilon-ME1153487----
QuinolineQuinolineME1153488----
RhamnoseRhamnoseME1153403----
Suberic acidSuberic acidME1153404----
TaurineTaurineME1153405----
ThiamineThiamineME1153351----
ThymidineThymidineME1153406----
Tranexamic acidTranexamic acidME1153489----
trans,trans-2,4-Heptadienal-ME1153490----
Trimethylamine N-OxideTrimethylamine N-oxideME1153352----
Tris(2-butoxyethyl) phosphateTris(2-butoxyethyl) phosphateME1153491----
TyrosineTyrosineME1153353----
UracilUracilME1153407----
UreaUreaME1153408----
UridineUridineME1153354----
Urocanic acidUrocanic acidME1153355----
ValineValineME1153356----
VanillinVanillinME1153409----
VindolineVindolineME1153492----
XanthineXanthineME1153357----
α-aminobutyric acid2-Aminobutyric acidME1153358----
δ-GluconolactoneGluconolactoneME1153410----


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Aminoadipic acidalpha-Aminoadipic acidME1153510----
2-Hydroxybutyric acid2-Hydroxybutyric acidME1153511----
2-Hydroxyisocaproic acid2-Hydroxyisocaproic acidME1153512----
2-Hydroxyoctanoic acid2-Hydroxyoctanoic acidME1153513----
3-Chloro-Tyrosine3-ChlorotyrosineME1153514----
3-Hydroxybutyric acid3-Hydroxybutyric acidME1153515----
3-Hydroxydecanoic acid3-Hydroxydecanoic acidME1153556----
3-Methylglutaconic acid3E-Methylglutaconic acidME1153516----
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME1153517----
4-IndolecarbaldehydeIndole-4-carboxaldehydeME1153557----
4-Methyl-2-oxovaleric acidKetoleucineME1153518----
5-Hydroxytryptophan5-Hydroxy-tryptophanME1153519----
Adipic acidAdipic acidME1153493----
ArginineArginineME1153494----
AsparagineAsparagineME1153520----
CarnosineCarnosineME1153521----
Citric acidCitric acidME1153495----
CreatineCreatineME1153522----
CystineCystineME1153523----
DL-4-Hydroxyphenyllactic acid4-Hydroxyphenyllactic acidME1153558----
Docosapentaenoic acidDocosapentaenoic acidME1153524----
Dodecanedioic acidDodecanedioic acidME1153496----
Fumaric acidFumaric acidME1153525----
Galactonic acidGalactonic acidME1153497----
Glutamic acidGlutamic acidME1153498----
GlutamineGlutamineME1153526----
Glutaric acidGlutaric acidME1153527----
Glyceric acidGlyceric acidME1153528----
GlycineGlycineME1153529----
Glycolic acidGlycolic acidME1153530----
GuanosineGuanosineME1153531----
Hexadecanedioic acidHexadecanedioic acidME1153499----
Hexanoyl GlycineNA-Gly 6:0ME1153500----
Hippuric acidHippuric acidME1153532----
HomoarginineHomoarginineME1153533----
HypoxanthineHypoxanthineME1153501----
IMPIMPME1153534----
Isocitric acidIsocitric acidME1153535----
Lactic acidLactic acidME1153502----
L-Ascorbic acid 2-sulfate-ME1153559----
L-Tyrosine methyl esterMethyl tyrosinateME1153560----
LysineLysineME1153536----
N-Acetyl-aspartic acidN-Acetylaspartic acidME1153537----
N-Acetylneuraminic acidN-Acetylneuraminic acidME1153538----
N-Acetyl-phenylalanineN-AcetylphenylalanineME1153539----
N-Acetyl-tryptophanN-AcetyltryptophanME1153540----
Nicotinuric acidNicotinuric acidME1153561----
NP-005614-ME1153562----
PentoseGalacturonic acidME1153541----
Perfluoro-1-octanesulfonic acid (PFOS)-ME1153563----
ProlineProlineME1153542----
Pyroglutamic acidPyroglutamic acidME1153503----
Pyruvic acidPyruvic acidME1153543----
Quinic acidQuinic acidME1153544----
(R)-3-Hydroxy myristic acid-ME1153555----
Ribulose-5-phosphateRibulose 5-phosphateME1153545----
Sebacic acidSebacic acidME1153504----
SerineSerineME1153546----
Sphingosine 1-phosphateSphingosine 1-phosphateME1153547----
Succinic acidSuccinic acidME1153505----
Sugar alcoholSorbitolME1153548----
Tauro-a-Muricholic acidTauro-alpha-muricholic acidME1153549----
Tauro-b-Muricholic acidTauro-beta-muricholic acidME1153550----
Tetradecanedioic acidTetradecanedioic acidME1153506----
Threonic acidThreonic acidME1153551----
ThreonineThreonineME1153507----
Thromboxane B2TXB2ME1153564----
Traumatic acidTraumatic acidME1153552----
TryptamineTryptamineME1153553----
TryptophanTryptophanME1153508----
UMPUMPME1153554----
Uric acidUric acidME1153509----


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