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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
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME405122-C00631--
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME405132-C02630--
2-Oxoglutaramate2-Keto-glutaramic acidME405127-C00940--
2-Oxoglutarate2-Oxoglutaric acidME405126-C00026--
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME405139-C03232--
3-Sulfino-L-alanine3-Sulfino-alanineME405146-C00606--
AMPAMPME405112-C00020--
AscorbateVitamin CME405137-C00072--
CatechinCatechinME405159-C17590--
CitrateCitric acidME405125-C00158--
DehydroascorbateL-Dehydroascorbic acidME405138-C05422--
D-Fructose 6-phosphateFructose 6-phosphateME405120-C00085--
D-GlucoseGlucoseME405118-C00031--
D-Glucose 6-phosphateGlucose 6-phosphateME405119-C02965--
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME405121-C00118--
DiphosphatePyrophosphateME405117-C00013--
D-Ribitol 5-phosphateD-Ribitol 5-phosphateME405160-C01068--
D-RiboseRiboseME405124-C00121--
Ethanolamine phosphatePhosphoethanolamineME405152-C00346--
FumarateFumaric acidME405129-C00122--
Hydroxyacetone phosphateHydroxyacetone phosphateME405162-C03505--
L-2-Aminoadipatealpha-Aminoadipic acidME405155-C00956--
LactateLactic acidME405123-C01432--
L-ArabinoseLyxoseME405144-C00259--
L-CysteateCysteic acidME405149-C00506--
L-SelenomethionineSelenomethionineME405148-C05335--
MalateMalic acidME405130-C00149--
MaleamateMaleamateME405157-C01596--
Mercaptopyruvate3-Mercaptopyruvic acidME405147-C00957--
N-AcetylneuraminateN-Acetylneuraminic acidME405142-C00270--
N-Glycoloyl-neuraminateN-Glycoloylneuraminic acidME405143-C03410--
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME405153-C01210--
N-Succinyl-L-citrullineN(2)-Succinyl-citrullineME405145-C18048--
OrnithineOrnithineME405140-C01602--
OrthophosphatePhosphoric acidME405116-C00009--
OxaloacetateOxaloacetic acidME405131-C00036--
Pentose phosphates (isobars)Ribulose 5-phosphateME405135-C00199--
(S)(+)-AllantoinAllantoinME405113-C02350--
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME405133-C06222--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME405134-C05382--
SerotoninSerotoninME405150-C00780--
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME405136-C05526--
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME405154-C01233--
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME405151-C00093--
Sodium glucuronate-ME405158-C13085--
SuccinateSuccinic acidME405128-C00042--
Thioredoxin disulfide-ME405161-C00343--
ThreonateThreonic acidME405156-C01620--
ThymineThymineME405115-C00178--
UMPUMPME405114-C00105--
UrateUric acidME405141-C00366--


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
2-3-Bisphosphoglycerate-ME405197-C03339--
2-Deoxy-alpha-D-glucoside-ME405234-C03573--
2-Oxo-7-methylthioheptanoic acid2-Oxo-7-methylthioheptanoic acidME405243-C17220--
3-Oxalomalate3-Oxalomalic acidME405233-C01990--
4-Aminobenzoatep-Aminobenzoic acidME405230-C00568--
4-Pyridoxate4-Pyridoxic acidME405189-C00847--
5-6-DihydrothymineDihydrothymineME405188-C00906--
5-Hydroxyisourate5-Hydroxyisouric acidME405186-C11821--
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME405202-C05283--
5-OxoprolinePyroglutamic acidME405200-C01879--
6-Hydroxykynurenic acid6-Hydroxykynurenic acidME405222-C08480--
Acetyl phosphateAcetylphosphateME405228-C00227--
AdenineAdenineME405191-C00147--
AdenosineAdenosineME405192-C00212--
alanineAlanineME405163-C00041--
AllantoateAllantoic acidME405185-C00499--
arginineArginineME405164-C00062--
asparagineAsparagineME405165-C00152--
aspartateAspartic acidME405166-C00049--
cis-p-Coumarate-ME405235-C06738--
CreatineCreatineME405213-C00300--
CreatinineCreatinineME405214-C00791--
Cys-GlyCys-GlyME405220-C01419--
cysteineCysteineME405167-C00097--
CytidineCytidineME405187-C00475--
D-O-Phosphoserine-ME405204-C02532--
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME405201-C03738--
glutamateGlutamic acidME405168-C00025--
glutamineGlutamineME405169-C00064--
GlutathioneGlutathioneME405198-C00051--
Glutathione disulfideOxidized glutathioneME405199-C00127--
glycineGlycineME405170-C00037--
GuanidinoacetateGuanidoacetic acidME405215-C00581--
GuanineGuanineME405184-C00242--
GuanosineGuanosineME405193-C00387--
histidineHistidineME405171-C00135--
HomocarnosineHomocarnosineME405211-C00884--
HypotaurineHypotaurineME405219-C00519--
HypoxanthineHypoxanthineME405182-C00262--
Indole-3-acetaldehydeIndoleacetaldehydeME405221-C00637--
InosineInosineME405194-C00294--
L-AdrenalineEpinephrineME405223-C00788--
L-CarnitineCarnitineME405224-C00318--
L-CitrullineCitrullineME405207-C00327--
leucine/isoleucineLeucine/IsoleucineME405172-C00123--
L-OctanoylcarnitineCAR 8:0ME405227-C02838--
lysineLysineME405173-C00047--
methionineMethionineME405174-C00073--
MethylenediureaMethylenediureaME405232-C06381--
N6-Methyl-L-lysineN(6)-MethyllysineME405236-C02728--
N-Amidino-L-aspartateGuanidinosuccinic acidME405240-C03139--
N-Carbamyl-L-glutamateCarglumic acidME405242-C05829--
NicotinamideNiacinamideME405190-C00153--
N-N-DimethylglycineDimethylglycineME405203-C01026--
O-ButanoylcarnitineCAR 4:0ME405226-C02862--
O-PropanoylcarnitineCAR 3:0ME405225-C03017--
PantothenolPantothenolME405217-C00864--
Peptide tryptophan-ME405231-C02732--
phenylalaninePhenylalanineME405175-C00079--
PhosphocreatinePhosphocreatineME405212-C02305--
prolineProlineME405176-C00148--
PurinePurineME405196-C15587--
PutrescinePutrescineME405208-C00134--
PyridoxaminePyridoxamineME405239-C00534--
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME405205-C00021--
S-Adenosyl-L-methionineS-AdenosylmethionineME405206-C00019--
serineSerineME405177-C00065--
SpermidineSpermidineME405209-C00315--
SpermineSpermineME405210-C00750--
Succinyl sulfathiazoleSuccinylsulfathiazoleME405238-C11745--
TaurineTaurineME405218-C00245--
threonineThreonineME405178-C00188--
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME405216-C01157--
trans-Homoaconitate-ME405241-C16579--
TriacanthineTriacanthineME405229-C08435--
Tripeptide-ME405237-C00316--
tryptophanTryptophanME405179-C00078--
tyrosineTyrosineME405180-C00082--
UracilUracilME405195-C00106--
valineValineME405181-C00183--
XanthineXanthineME405183-C00385--


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