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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-3-Bisphosphoglycerate3-Phospho-D-glyceroyl dihydrogen phosphateME586966-C00236--
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME586967-C00631--
2-Hydroxyglutarate/Citramalate*** (%CV=31.25)-ME586974-C02630--
5-Hydroxyisourate5-Hydroxyisouric acidME586956-C11821--
5-Phospho-alpha-D-ribose 1-diphosphatePhosphoribosyl pyrophosphateME586976-C00119--
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME586998-C16513--
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME586997-C03242--
Adenylosuccinic acidAdenylsuccinic acidME586958-C03794--
ADPADPME586950-C00008--
a-Linolenic acid (Octadecatrienoic acid)Octadecatrienoic acidME586993-C06427--
alpha-D-Ribose 1-phosphateRibose 1-phosphateME586975-C00620--
Arachidonic acid (Eicosatetraenoic acid)Eicosatetraenoic acidME586994-C00219--
CDPCDPME586952-C00112--
CitrateCitric acidME586970-C00158--
CytidineCytidineME586953-C00475--
Decanoic acid (caprate)Capric acidME586986-C01571--
DehydroascorbateDehydroascorbic acidME586977-C05422--
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME586964-C00354--
D-GlucoseGlucoseME586962-C00031--
D-Glucose 6-phosphateGlucose 6-phosphateME586963-C02965--
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME586965-C00118--
DiphosphatePyrophosphateME586961-C00013--
Docosahexaenoic acidDocosahexaenoic acidME586995-C06429--
Dodecanoic acid (lauric acid)Lauric acidME586987-C02679--
Eicosapentaenoic acidEicosapentaenoic acidME586996-C06428--
Ethanolamine phosphatePhosphoethanolamineME586983-C00346--
FumarateFumaric acidME586972-C00122--
GDPGDPME586951-C00035--
Glycerol 3-phosphatesn-Glycero-3-phosphateME586982-C00093--
GlycolateGlycolic acidME586979-C00160--
Hexadecanoic acid (palmitic acid)Palmitic acidME586989-C00249--
Hexadecenoic acid (Palmitoleic acid)Palmitoleic acidME586990-C08362--
LactateLactic acidME586968-C01432--
L-CysteateCysteic acidME586981-C00506--
L-cystineCystineME586949-C00491--
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)Linoleic acidME586992-C01595--
MalateMalic acidME586973-C00149--
MannitolMannitolME586969-C00392--
N-Acetyl-L-citrullineN-AcetylcitrullineME586980-C15532--
Nonanoic acid (pelargonate)Pelargonic acidME586985-C01601--
Octadecenoic acid (Oleic acid)Oleic acidME586991-C00712--
Octanoic acid (caprylate)Caprylic acidME586984-C06423--
PhosphatePhosphoric acidME586960-C00009--
SuccinateSuccinic acidME586971-C00042--
Tetradecanoic acid (myristic acid)Myristic acidME586988-C06424--
UDPUDPME586954-C00015--
UDP-glucoseUDP-glucoseME586959-C00029--
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME586978-C00043--
UrateUric acidME586957-C00366--
XanthineXanthineME586955-C00385--


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-Formyldihydrofolate10-Formyldihydrofolic acidME587030-C03204--
5-OxoprolinePyroglutamic acidME587025-C01879--
acetyl-carnitine (acyl-C2)CAR 2:0ME587051-C02571--
AcetylcholineAcetylcholineME587048-C01996--
acyl-C18:2 (Linoleoyl-CoA)Linoleoyl-CoAME587065-HMDB01064--
acyl-C20:4CAR 20:4ME587066-ac125--
acyl-C4-DCCAR DC4:0ME587055-HMDB13133--
acyl-C4-OHCAR 4:0;OHME587054-HMDB13127--
acyl-C5-OHCAR 5:0;OHME587056-ac107--
ADP-D-riboseADP-riboseME587021-C01882--
AMPAMPME587016-C00020--
Anthranilate2-Aminobenzoic acidME587043-C00108--
BiliverdinBiliverdinME587067-C00500--
butanoyl-l-carnitine (acyl-C4)CAR 4:0ME587053-C02862--
CarnosineCarnosineME587036-C00386--
CholineCholineME587049-C00114--
CMPCMPME587018-C00055--
Cys-GlyCys-GlyME587026-C01419--
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME587029-C15767--
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME587028-C03738--
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME587027-C00669--
GlutathioneGlutathioneME587023-C00051--
Glutathione disulfideOxidized glutathioneME587024-C00127--
glycineGlycineME587005-C00037--
g-Oxalo-crotonate4-Oxalocrotonic acidME587045-C03453--
GuanidinoacetateGuanidoacetic acidME587038-C00581--
GuanineGuanineME587017-C00242--
Hexadecenoyl-carnitine (acyl-C16:1)CAR 16:1ME587062-HMDB06317--
hexanoyl-L-carnitine (acyl-C6)CAR 6:0ME587057-HMDB00756--
Indole-3-acetateIndoleacetic acidME587042-C00954--
L-alanineAlanineME586999-C00041--
L-arginineArginineME587000-C00062--
L-asparagineAsparagineME587001-C00152--
L-aspartateAspartic acidME587002-C00049--
L-CarnitineCarnitineME587050-C00318--
L-CitrullineCitrullineME587032-C00327--
L-glutamateGlutamic acidME587003-C00025--
L-glutamineGlutamineME587004-C00064--
L-histidineHistidineME587006-C00135--
L-leucine/isoleucineLeucineME587007-C00123--
L-lysineLysineME587008-C00047--
L-methionineMethionineME587009-C00073--
L-Methionine S-oxideMethionine sulfoxideME587041-C02989--
L-Palmitoylcarnitine (acyl-C16)CAR 16:0ME587061-C02990--
L-phenylalaninePhenylalanineME587010-C00079--
L-serineSerineME587011-C00065--
L-threonineThreonineME587012-C00188--
L-tryptophanTryptophanME587013-C00078--
L-tyrosineTyrosineME587014-C00082--
L-valineValineME587015-C00183--
MaltotrioseMaltotrioseME587022-C01835--
N-AcetylornithineN-AcetylornithineME587037-C00437--
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME587046-C01210--
Octadecanoyl-L-carnitine (acyl-C18)CAR 18:0ME587063-HMDB00848--
O-dodecanoyl-carnitine (acyl-C12)CAR 12:0ME587058-HMDB02250--
O-dodecenoyl-carnitine (acyl-C12:1)CAR 12:1ME587059-HMDB13326--
O-octadecenoyl-L-carnitine (acyl-C18:1)CAR 18:1ME587064-HMDB06351--
OrnithineOrnithineME587031-C01602--
O-tetradecanoyl-L-carnitine (acyl-C14)CAR 14:0ME587060-HMDB05066--
Picolinic acidPicolinic acidME587044-C10164--
propionyl-carnitine (acyl-C3)CAR 3:0ME587052-C03017--
PutrescinePutrescineME587033-C00134--
SpermidineSpermidineME587034-C00315--
SpermineSpermineME587035-C00750--
SphingosineSphingosineME587047-C00319--
TaurineTaurineME587040-C00245--
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME587039-C01157--
UMPUMPME587019-C00105--
UracilUracilME587020-C00106--


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