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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-Formyldihydrofolate-ME471648----
10-FormyltetrahydrofolateN10-Formyl-THFME471649----
3-methyldioxyindole3-MethyldioxyindoleME471660----
4-Acetamidobutanoate4-Acetamidobutanoic acidME471657----
5-10-Methenyltetrahydrofolate5,10-Methenyl-THFME471647----
5-6-DihydrothymineDihydrothymineME471636----
5-6-DihydrouracilDihydrouracilME471658----
5-Hydroxyisourate5-Hydroxyisouric acidME471633----
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME471644----
5-OxoprolinePyroglutamic acidME471640----
5-Phosphoribosylamine5-PhosphoribosylamineME471639----
5'-Phosphoribosyl-N-formylglycinamideFGARME471635----
6-Hydroxykynurenic acid6-Hydroxykynurenic acidME471664----
AcetylcholineAcetylcholineME471670----
acyl-C12 (O-dodecanoyl-carnitine)CAR 12:0ME471684----
acyl-C2 (acetyl-carnitine)CAR 2:0ME471673----
acyl-C3 (propionyl-carnitine)CAR 3:0ME471674----
acyl-C4 (butanoyl-l-carnitine)CAR 4:0ME471675----
acyl-C4-DCCAR DC4:0ME471677----
acyl-C4-OH (Hydroxybutyrylcarnitine)CAR 4:0;OHME471676----
acyl-C5:1 (Tiglylcarnitine)CAR 5:1ME471679----
acyl-C5 (isovalerylcarnitine)CAR 4:0;3MeME471678----
acyl-C5-OHCAR 5:0;OHME471680----
acyl-C6-DCCAR DC6:0ME471682----
acyl-C6 (hexanoyl-l-carnitine)CAR 6:0ME471681----
acyl-C8:1 (octenoyl-l-carnitine)CAR 8:1ME471683----
AdenosineAdenosineME471629----
AMPAMPME471628----
Anthranilate2-Aminobenzoic acidME471666----
ArgininosuccinateArgininosuccinic acidME471652----
CholineCholineME471671----
CreatineCreatineME471655----
CreatinineCreatinineME471656----
CytidineCytidineME471631----
CytosineCytosineME471632----
DimethylglycineDimethylglycineME471645----
DopamineDopamineME471668----
EctoineEctoineME471669----
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME471643----
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME471641----
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME471642----
glycineGlycineME471623----
GuanineGuanineME471630----
Indole-3-acetaldehydeIndoleacetaldehydeME471661----
IndolepyruvateIndolepyruvateME471662----
IndoxylIndoxylME471663----
L-AdrenalineEpinephrineME471667----
L-alanineAlanineME471620----
L-arginineArginineME471621----
L-CarnitineCarnitineME471672----
L-CitrullineCitrullineME471651----
L-glutamateGlutamic acidME471622----
L-histidineHistidineME471624----
L-lysineLysineME471625----
L-methionineMethionineME471626----
L-Methionine S-oxideMethionine sulfoxideME471659----
L-tryptophanTryptophanME471627----
N-formyl kynurenineN-Formyl-L-kynurenineME471665----
NicotinamideNiacinamideME471638----
OrnithineOrnithineME471650----
PhosphoserinePhosphoserineME471646----
PutrescinePutrescineME471653----
PyridoxalPyridoxalME471637----
SpermidineSpermidineME471654----
UrateUric acidME471634----


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
1-4-beta-D-Xylan-ME471739----
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME471709----
2-Aminomuconate2-Aminomuconic acidME471754----
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME471725----
2-Oxoglutaramate2-Keto-glutaramic acidME471721----
2-Oxoglutarate2-Oxoglutaric acidME471720----
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione-ME471756----
3-Sulfino-L-alanine3-Sulfino-alanineME471746----
4-Pyridoxate4-Pyridoxic acidME471705----
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME471749----
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME471780----
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME471779----
AdenineAdenineME471693----
alpha-D-Ribose 1-phosphateRibose 1-phosphateME471729----
AscorbateVitamin CME471730----
BilirubinBilirubinME471782----
BiliverdinBiliverdinME471781----
Butanoic acidButyric acidME471759----
CitrateCitric acidME471719----
D-ArabitolArabitolME471718----
dCMPdCMPME471696----
Decanoic acid (caprate)Capric acidME471765----
DehydroascorbateL-Dehydroascorbic acidME471731----
D-Erythrose 4-phosphateErythrose 4-phosphateME471727----
D-Glucono-1-5-lactone 6-phosphate6-Phosphonoglucono-D-lactoneME471726----
D-GlucosamineGlucosamineME471738----
D-GlucoseGlucoseME471707----
D-Glucose 6/1-phosphate/Fructose 6-phosphate-ME471708----
Docosahexaenoic acidDocosahexaenoic acidME471777----
Dodecanedioic acidDodecanedioic acidME471778----
Dodecanoic acidLauric acidME471766----
D-RhamnoseRhamnoseME471717----
D-RiboseRiboseME471716----
dTMPdTMPME471697----
Eicosapentaenoic acidEicosapentaenoic acidME471776----
Eicosatetraenoic acidEicosatetraenoic acidME471775----
FolateFolic acidME471735----
FumarateFumaric acidME471723----
GMPGMPME471694----
g-Oxalo-crotonate4-Oxalocrotonic acidME471753----
GuanosineGuanosineME471695----
Heptanoic acidHeptylic acidME471762----
Hexadecanoic acidPalmitic acidME471768----
Hexadecenoic acidHexadecenoic acidME471771----
Hexanoic acid (caproate)Caproic acidME471761----
HypoxanthineHypoxanthineME471703----
InosineInosineME471702----
kynurenineKynurenineME471750----
LactateLactic acidME471712----
L-asparagineAsparagineME471685----
L-aspartateAspartic acidME471686----
L-CysteateCysteic acidME471748----
L-gamma-Glutamyl-L-hypoglycin-ME471732----
L-glutamineGlutamineME471687----
LinoleateLinoleic acidME471773----
L-phenylalaninePhenylalanineME471688----
L-SelenomethionineSelenomethionineME471747----
L-serineSerineME471689----
L-threonineThreonineME471690----
L-tyrosineTyrosineME471691----
L-valineValineME471692----
MalateMalic acidME471724----
MaltoseMaltoseME471713----
MaltotrioseMaltotrioseME471714----
MannitolMannitolME471715----
N-AcetylneuraminateN-Acetylneuraminic acidME471736----
N-AcetylornithineN-AcetylornithineME471740----
N-Glycoloyl-neuraminateN-Glycoloylneuraminic acidME471737----
Nonanoic acid (pelargonate)Pelargonic acidME471764----
N-Succinyl-L-glutamate 5-semialdehyde-ME471742----
Octadecanoic acidStearic acidME471769----
Octadecatrienoic acidOctadecatrienoic acidME471774----
Octadecenoic acidOctadecenoic acidME471772----
Octanoic acid (caprylate)Caprylic acidME471763----
PantetheinePantetheineME471744----
PantothenolPantothenolME471743----
Pentanoate (valerate)Valeric acidME471760----
PhosphatePhosphoric acidME471706----
PhosphoenolpyruvatePhosphoenolpyruvic acidME471710----
Picolinic acidPicolinic acidME471752----
PyruvatePyruvic acidME471711----
quinolinic acidQuinolinic acidME471751----
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME471733----
S-Adenosyl-L-methionineS-AdenosylmethionineME471734----
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME471728----
SerotoninSerotoninME471755----
Sphinganine 1-phosphateSphinganine 1-phosphateME471758----
Sphingosine 1-phosphateSphingosine 1-phosphateME471757----
SuccinateSuccinic acidME471722----
TaurineTaurineME471745----
Tetradecanoic acidMyristic acidME471767----
Tetradecenoic acidTetradecenoic acidME471770----
ThymidineThymidineME471698----
ThymineThymineME471699----
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME471741----
UMPUMPME471700----
UracilUracilME471701----
XanthineXanthineME471704----


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