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Analysis: CE 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
2,3-PyridinedicarboxylateQuinolinic acidME168934-C03722--
2,5-DihydroxybenzoateGentisic acidME168935-C00628--
2-Deoxyglucose 6-phosphate2-Deoxy-D-glucose 6-phosphateME168936-C06369--
2-Hydroxybutyrate2-Hydroxybutyric acidME168937-C05984--
2-Hydroxyglutarate2-Hydroxyglutaric acidME168938-C02630--
2-Hydroxyisobutyrate2-Hydroxyisobutyric acidME168939----
2-Hydroxypentanoate2-Hydroxyvaleric acidME168940----
2-Hydroxyphenylacetate2-Hydroxyphenylacetic acidME168941-C05852--
2-Isopropylmalate2-Isopropylmalic acidME168942-C02504--
2-OxoadipateOxoadipic acidME168943-C00322--
2-Oxoglutarate2-Oxoglutaric acidME168944-C00026--
2-OxoisopentanoateKetoisovaleric acidME168945-C00141--
3-(2-Hydroxyphenyl)propionate3-(2-Hydroxyphenyl)propanoic acidME168946-C01198--
3-(4-Hydroxyphenyl)propionateDesaminotyrosineME168947-C01744--
3-Hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME168948-C03761--
3-Hydroxybutyrate3-Hydroxybutyric acidME168949-C01089--
3-HydroxypropionateHydroxypropionic acidME168950-C01013--
3-Indoxyl sulfateIndoxyl sulfateME168951----
3-MethylbutanoateIsovaleric acidME168952-C08262--
3PG3-Phosphoglyceric acidME168953-C00197--
3-PhenyllactatePhenyllactic acidME168954-C05607--
3-PhenylpropionateHydrocinnamic acidME168955-C05629--
3-UreidopropionateUreidopropionic acidME168956-C02642--
4-Acetylbutyrate5-Ketocaproic acidME168957-C02129--
4-Hydroxymandelate4-Hydroxymandelic acidME168958-C11527--
4-Methyl-2-oxopentanoateKetoleucineME168959-C00233--
4-Methylthio-2-oxobutyrate2-Oxo-4-methylthiobutanoic acidME168960-C01180--
4-OxopentanoateLevulinic acidME168961----
5-OxoprolinePyroglutamic acidME168962-C01879--
Acetyl CoAAcetyl-CoAME168853-C00024--
AdipateAdipic acidME168854-C06104--
ADPADPME168855-C00008--
AMPAMPME168856-C00020--
AzelateAzelaic acidME168857-C08261--
ButanoateButyric acidME168858-C00246--
CarbamoylaspartateCarbamoylaspartateME168859-C00438--
CholateCholic acidME168860-C00695--
cis-Aconitatecis-Aconitic acidME168861-C00417--
CitraconateCitraconic acidME168862-C02226--
CitramalateCitramalic acidME168863-C02614--
CitrateCitric acidME168864-C00158--
CMPCMPME168865-C00055--
CysteateCysteic acidME168866-C00506--
Cysteine S-sulfateCysteine-S-sulfateME168867-C05824--
Dihydroorotate4,5-Dihydroorotic acidME168868-C00337--
DodecanedioateDodecanedioic acidME168869-C02678--
dTMPdTMPME168870-C00364--
F6PFructose 6-phosphateME168871-C00085--
FumarateFumaric acidME168872-C00122--
G1PGlucose 1-phosphateME168873-C00103--
G6PGlucose 6-phosphateME168874-C00092--
GluconateGluconic acidME168875-C00257--
Glucosamine 6-phosphateGlucosamine 6-phosphateME168876-C00352--
GlucuronateGlucuronic acidME168877-C00191--
GlutarateGlutaric acidME168878-C00489--
GlycerateGlyceric acidME168879-C00258--
Glycerophosphatesn-Glycero-3-phosphateME168880-C00093--
GlycolateGlycolic acidME168881-C00160--
HippurateHippuric acidME168882-C01586--
HomovanillateHomovanillic acidME168883-C05582--
IMPIMPME168884-C00130--
Isethionate2-HydroxyethanesulfonateME168885-C05123--
Isobutyryl CoAIsobutyryl-CoAME168886-C00630--
IsocitrateIsocitric acidME168887-C00311--
ItaconateItaconic acidME168888-C00490--
LactateLactic acidME168889-C00186--
MalateMalic acidME168890-C00711--
MalonateMalonic acidME168891-C00383--
MethanesulfonateMethanesulfonic acidME168892-C11145--
Methyl sulfateMethyl sulfateME168893-C02704--
MucateGalactaric acidME168894-C00879--
N-AcetylaspartateN-Acetylaspartic acidME168895-C01042--
N-Acetyl-beta-alanineN-Acetyl-beta-alanineME168896-C01073--
N-Acetylglucosamine 1-phosphateN-Acetylglucosamine 1-phosphateME168897-C04501--
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME168898-C00357--
N-AcetylglutamateN-Acetylglutamic acidME168899-C00624--
NAD+NADME168900-C00003--
NADP+NADPME168901-C00006--
N-CarbamylglutamateCarglumic acidME168902-C05829--
N-FormylaspartateN-Formyl-aspartic acidME168903-C01044--
NicotinateNicotinic acidME168904-C00253--
o-HydroxyhippurateSalicyluric acidME168905-C07588--
O-PhosphoserinePhosphoserineME168906-C01005--
OrotateOrotic acidME168907-C00295--
PentanoateValeric acidME168908-C00803--
PhenylpyruvatePhenylpyruvic acidME168909-C00166--
PhthalatePhthalic acidME168910-C01606--
p-Hydroxybenzoate4-Hydroxybenzoic acidME168911-C00156--
p-Hydroxyphenylacetate4-Hydroxyphenylacetic acidME168912-C00642--
PimelatePimelic acidME168913-C02656--
PropionatePropionic acidME168914-C00163--
PyruvatePyruvic acidME168915-C00022--
QuinateQuinic acidME168916-C00296--
Ru5PRibulose 5-phosphateME168917-C00199--
S7PSedoheptulose 7-phosphateME168918-C05382--
SaccharateGlucaric acidME168919-C00818--
SebacateSebacic acidME168920-C08277--
ShikimateShikimic acidME168921-C00493--
SuccinateSuccinic acidME168922-C00042--
TaurocholateTaurocholic acidME168923-C05122--
TerephthalateTerephthalic acidME168924-C06337--
ThreonateThreonic acidME168925-C01620--
trans-4-Hydroxy-3-methoxycinnamatetrans-Ferulic acidME168926-C01494--
trans-Aconitatetrans-Aconitic acidME168927-C02341--
UDPUDPME168928-C00015--
UDP-glucuronateUDP-glucuronic acidME168929-C00167--
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME168930-C00043--
UMPUMPME168931-C00105--
UrateUric acidME168932-C00366--
XMPXMPME168933-C00655--


Analysis: CE 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
1,3-Diaminopropane1,3-DiaminopropaneME169115-C00986--
1-Amino-1-cyclopentanecarboxylate1-Azaniumylcyclopentane-1-carboxylateME169110-C03969--
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME169111-C01234--
1-Methyladenosine1-MethyladenosineME169112-C02494--
1-Methylhistamine1-MethylhistamineME169113-C05127--
1-Methylnicotinamide1-Methyl nicotinamideME169114-C02918--
2,3-Diaminopropionate2,3-Diaminopropionic acidME169116-C06393--
2,4-Diaminobutyrate2,4-Diaminobutyric acidME169117-C03283--
2AB2S-Aminobutyric acidME169118-C02356--
2-Aminophenol2-AminophenolME169119-C01987--
2'-DeoxycytidineDeoxycytidineME169120-C00881--
2'-DeoxyguanosineDeoxyguanosineME169121-C00330--
2'-DeoxyinosineDeoxyinosineME169122-C05512--
3-Aminoisobutyrate3-Aminoisobutanoic acidME169123-C05145--
3-Aminopropane-1,2-diol(S)-3-Amino-1,2-propanediolME169124-C06057--
3-Methoxytyramine3-MethoxytyramineME169125-C05587--
3-Methylguanine3-MethylguanineME169126-C02230--
3-Methylhistidine3-MethylhistidineME169127-C01152--
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME169128-C05135--
4-HydroxymethylimidazoleImidazole-4-methanolME169129-C05562--
5-Aminolevulinate5-Amino-levulinic acidME169130-C00430--
5-Aminovalerate5-Aminopentanoic acidME169131-C00431--
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME169132-C05635--
5-Hydroxylysine5-HydroxylysineME169133-C16741--
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME169134-C03592--
5-Methylcytosine5-MethylcytosineME169135-C02376--
5-Methylthioadenosine5'-MethylthioadenosineME169136-C00170--
6-Hydroxynicotinate6-Hydroxynicotinic acidME169137-C01020--
7-Methylguanine7-MethylguanineME169138-C02242--
AcetylcholineAcetylcholineME168963-C01996--
AdenineAdenineME168964-C00147--
AdenosineAdenosineME168965-C00212--
ADMADimethylarginineME168966-C03626--
AgmatineAgmatineME168967-C00179--
AlaAlanineME168968-C00041--
Ala-AlaAla-AlaME168969-C00993--
AllantoinAllantoinME168970-C01551--
alpha-AminoadipateAminoadipic acidME168971-C00956--
Alpha-MethylserineAlpha-MethylserineME168972-C02115--
AnserineAnserineME168973-C01262--
Anthranilate2-Aminobenzoic acidME168974-C00108--
ArgArginineME168975-C00062--
ArgininosuccinateArgininosuccinic acidME168976-C03406--
AsnAsparagineME168977-C00152--
AspAspartic acidME168978-C00049--
beta-Alabeta-AlanineME168979-C00099--
beta-ImidazolelactateImidazolelactic acidME168980-C05568--
BetaineBetaineME168981-C00719--
Betaine aldehydeBetaine aldehydeME168982-C00576--
BetonicineBetonicineME168983-C08269--
CadaverineCadaverineME168984-C01672--
CarnitineCarnitineME168985-C00318--
CarnosineCarnosineME168986-C00386--
CholineCholineME168987-C00114--
CitrullineCitrullineME168988-C00327--
CreatineCreatineME168989-C00300--
CreatinineCreatinineME168990-C00791--
CyclohexylamineCyclohexylamineME168991-C00571--
CysCysteineME168992-C00097--
CystathionineCystathionineME168993-C02291--
Cysteine-glutathione disulphide -Divalent-ME168994----
CystineCystineME168995-C00491--
CytidineCytidineME168996-C00475--
CytosineCytosineME168997-C00380--
DiethanolamineDiethanolamineME168998-C06772--
DOPADOPAME168999-C00355--
DopamineDopamineME169000-C03758--
EctoineEctoineME169001-C06231--
GABAgamma-Aminobutyric acidME169002-C00334--
gamma-Butyrobetaine3-DehydroxycarnitineME169003-C01181--
gamma-Guanidinobutyrate4-Guanidinobutanoic acidME169004-C01035--
GlnGlutamineME169005-C00064--
GluGlutamic acidME169006-C00025--
GlucosaminateGlucosaminic acidME169007-C03752--
GlucosamineGlucosamineME169008-C00329--
Glu-GluGlu-GluME169009-C01425--
Glutathione(ox)Oxidized glutathioneME169010-C00127--
GlyGlycineME169011-C00037--
Glycerophosphorylcholinesn-Glycero-3-phosphocholineME169012-C00670--
Gly-GlyGly-GlyME169013-C02037--
Gly-LeuGly-LeuME169014-C02155--
GuanidinoacetateGuanidoacetic acidME169015-C00581--
GuanidinosuccinateGuanidinosuccinic acidME169016-C03139--
GuanineGuanineME169017-C00242--
GuanosineGuanosineME169018-C00387--
HisHistidineME169019-C00135--
HistamineHistamineME169020-C00388--
HistidinolL-HistidinolME169021-C00860--
HomocystineHomocystineME169022-C01817--
HomoserineHomoserineME169023-C00263--
HydroxyprolineHydroxyprolineME169024-C01015--
HypotaurineHypotaurineME169025-C00519--
HypoxanthineHypoxanthineME169026-C00262--
IleIsoleucineME169027-C00407--
Imidazole-4-acetateImidazoleacetic acidME169028-C02835--
Indole-3-acetaldehydeIndoleacetaldehydeME169029-C00637--
Indole-3-acetamide1H-Indole-3-acetamideME169030-C02693--
Indole-3-acetateIndoleacetic acidME169031-C00954--
InosineInosineME169032-C00294--
Isoamylamine3-Methyl-1-butylamineME169033-C02640--
IsopropanolamineIsopropanolamineME169034-C05771--
KynurenineKynurenineME169035-C00328--
LeuLeucineME169036-C00123--
LysLysineME169037-C00047--
Mannosamine2-Amino-2-deoxy-D-mannoseME169038-C03570--
MelamineMelamineME169039-C08737--
MetMethionineME169040-C00073--
Methionine sulfoxideMethionine sulfoxideME169041-C02989--
MethylguanidineMethylguanidineME169042-C02294--
N1-AcetylspermidineN1-AcetylspermidineME169046-C00612--
N1-AcetylspermineN1-AcetylspermineME169047-C02567--
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME169044-C03413--
N1,N8-DiacetylspermidineN1,N8-DiacetylspermidineME169045----
N6,N6,N6-TrimethyllysineN-6-TrimethyllysineME169048-C03793--
N8-AcetylspermidineN8-AcetylspermidineME169049-C01029--
N-AcetylglucosamineN-AcetylglucosamineME169050-C00140--
N-AcetylglucosylamineN-Acetyl-beta-glucosaminylamineME169051-C01239--
N-AcetylhistidineN-AcetylhistidineME169052-C02997--
N-AcetylornithineN-AcetylornithineME169053-C00437--
N-AcetylputrescineN-AcetylputrescineME169054-C02714--
N-AcetylvalineN-AcetylvalineME169055----
N-alpha,N-alpha-DimethylhistidineN,N-DimethylhistidineME169056-C04259--
N-epsilon-AcetyllysineN6-AcetyllysineME169057-C02727--
NicotinamideNiacinamideME169058-C00153--
N-MethylalanineN-MethylalanineME169059-C02721--
N,N-DimethylglycineDimethylglycineME169043-C01026--
NoradrenalineXi-NorepinephrineME169060-C00547--
o-AcetylcarnitineCAR 2:0ME169061-C02571--
O-AcetylserineO-AcetylserineME169062-C00979--
OphthalmateOphthalmic acidME169063----
OrnithineOrnithineME169064-C00077--
o-Succinylhomoserineo-SuccinylhomoserineME169065-C01118--
p-Aminobenzoatep-Aminobenzoic acidME169066-C00568--
PhePhenylalanineME169067-C00079--
PhenethylaminePhenylethylamineME169068-C05332--
PhosphorylcholineCholine phosphateME169069-C00588--
PipecolatePipecolic acidME169070-C00408--
ProProlineME169071-C00148--
Proline betaineProline betaineME169072-C10172--
Pseudopelletierinepsi-PelletierineME169073-C10865--
PterinPterinME169074-C00715--
Putrescine(1,4-Butanediamine)PutrescineME169075-C00134--
PyridoxalPyridoxalME169076-C00250--
PyridoxaminePyridoxamineME169077-C00534--
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME169078-C00647--
PyridoxinePyridoxineME169079-C00314--
RiboflavinRiboflavinME169080-C00255--
SaccharopineSaccharopineME169081-C00449--
SAHS-AdenosylhomocysteineME169082-C00021--
SAM+S-AdenosylmethionineME169083-C00019--
SarcosineSarcosineME169084-C00213--
SDMASymmetric dimethylarginineME169085----
SerSerineME169086-C00065--
SerotoninSerotoninME169087-C00780--
SpermidineSpermidineME169088-C00315--
SpermineSpermineME169089-C00750--
TaurineTaurineME169090-C00245--
ThiamineThiamineME169091-C00378--
Thiamine monophosphateThiamine monophosphateME169092-C01081--
ThrThreonineME169093-C00188--
ThymidineThymidineME169094-C00214--
ThymineThymineME169095-C00178--
TRHThyrotropin releasing hormoneME169096-C03958--
TrigonellineTrigonellineME169097-C01004--
Trimethylamine N-oxideTrimethylamine N-oxideME169098-C01104--
TropinoneTropinoneME169099-C00783--
TrpTryptophanME169100-C00078--
TryptamineTryptamineME169101-C00398--
TyrTyrosineME169102-C00082--
TyramineTyramineME169103-C00483--
UracilUracilME169104-C00106--
UridineUridineME169105-C00299--
UrocanateUrocanic acidME169106-C00785--
ValValineME169107-C00183--
XanthineXanthineME169108-C00385--
XanthosineXanthosineME169109-C01762--


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