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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
2--3--Cyclic CMP2',3' cyclic CMPME157044-C02354--
2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholineLPC 18:1ME157121----
2-Deoxy-alpha-D-glucoside-ME157131-C03573--
2-Methyleneglutarate-ME157125-C02930--
2-Oxo-7-methylthioheptanoic acid2-Oxo-7-methylthioheptanoic acidME157144-C17220--
3-hexadecanoyl-sn-glycero-1-phosphocholine-ME157120----
3-Methyleneoxindole3-MethyleneoxindoleME157098-C02796--
3-Oxalomalate3-Oxalomalic acidME157130-C01990--
3-Sulfino-L-alanine3-Sulfino-alanineME157095-C00606--
4-Aminobenzoatep-Aminobenzoic acidME157127-C00568--
5-10-Methenyltetrahydrofolate5,10-Methenyl-THFME157072-C00445--
5-6-DihydrothymineDihydrothymineME157045-C00906--
5-Guanidino-2-oxopentanoate2-OxoarginineME157086-C03771--
5-Hydroxyisourate5-Hydroxyisouric acidME157040-C11821--
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME157066-C05283--
5-OxoprolinePyroglutamic acidME157059-C01879--
5--Phosphoribosyl-N-formylglycinamideFGARME157041-C04376--
6-Lactoyl-5-6-7-8-tetrahydropterin6-LactoyltetrahydropterinME157126-C04244--
Acetyl phosphateAcetylphosphateME157122-C00227--
AdenineAdenineME157050-C00147--
AdenosineAdenosineME157051-C00212--
alanineAlanineME157014-C00041--
AllantoateAllantoic acidME157038-C00499--
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME157081-C06156--
arginineArginineME157015-C00062--
AscorbateVitamin CME157061-C00072--
asparagineAsparagineME157016-C00152--
aspartateAspartic acidME157017-C00049--
beta-D-Glucuronoside-ME157141-C03033--
cis-p-Coumarate-ME157132-C06738--
CreatineCreatineME157088-C00300--
CreatinineCreatinineME157089-C00791--
Cys-GlyCys-GlyME157097-C01419--
CystathionineCystathionineME157068-C00542--
cysteineCysteineME157018-C00097--
cystineCystineME157033-C00491--
CytidineCytidineME157043-C00475--
D-Alanyl-alanyl-poly(glycerolphosphate)-ME157138-C04457--
Decanoic acid (caprate)Capric acidME157111-C01571--
D-GlucosamineGlucosamineME157082-C00329--
D-Ribitol 5-phosphateD-Ribitol 5-phosphateME157134-C01068--
Ethanolamine phosphatePhosphoethanolamineME157102-C00346--
Fe(III)dicitrate-ME157136-C06229--
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME157065-C15767--
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME157063-C05695--
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME157064-C03738--
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME157062-C00669--
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME157084-C15699--
glutamateGlutamic acidME157019-C00025--
glutamineGlutamineME157020-C00064--
GlutathioneGlutathioneME157057-C00051--
Glutathione disulfideOxidized glutathioneME157058-C00127--
glycineGlycineME157021-C00037--
GuanidinoacetateGuanidoacetic acidME157091-C00581--
GuanineGuanineME157037-C00242--
GuanosineGuanosineME157052-C00387--
histidineHistidineME157022-C00135--
HomocarnosineHomocarnosineME157085-C00884--
HomomethionineHomomethionineME157146-C17213--
HypotaurineHypotaurineME157094-C00519--
HypoxanthineHypoxanthineME157035-C00262--
IndoleIndoleME157099-C00463--
Indole-3-acetaldehydeIndoleacetaldehydeME157100-C00637--
InosineInosineME157053-C00294--
kynurenineKynurenineME157034-C00328--
L-ArabinoseLyxoseME157083-C00259--
L-CarnitineCarnitineME157105-C00318--
L-CitrullineCitrullineME157074-C00327--
leucine/isoleucineLeucine/IsoleucineME157023-C00123--
L-HomocitrullineHomocitrullineME157145-C02427--
L-HomocysteineHomocysteineME157067-C00155--
L-Methionine S-oxideMethionine sulfoxideME157096-C02989--
L-OctanoylcarnitineCAR 8:0ME157108-C02838--
L-PalmitoylcarnitineCAR 16:0ME157109-C02990--
lysineLysineME157024-C00047--
MesteroloneMesteroloneME157114----
methionineMethionineME157025-C00073--
MethylenediureaMethylenediureaME157129-C06381--
N5-Methyl-L-glutamineN(5)-Methyl-glutamineME157124-C03153--
N6-Methyl-L-lysineN(6)-MethyllysineME157133-C02728--
N-(9Z-hexadecenoyl)-ethanolaminePalmitoleoyl-EAME157119----
N-Acetyl-L-citrullineN-AcetylcitrullineME157090-C15532--
N-AcetylneuraminateN-Acetylneuraminic acidME157079-C00270--
NAD+NAD+ME157055-C00003--
N-Amidino-L-aspartateGuanidinosuccinic acidME157139-C03139--
N-Carbamyl-L-glutamateCarglumic acidME157143-C05829--
N-(Dodecanoyl)-ethanolamineLauroyl-EAME157118----
N-Glycoloyl-neuraminateN-Glycoloylneuraminic acidME157080-C03410--
N-hexadecanoyl-ethanolaminePalmitoyl-EAME157115----
NicotinamideNiacinamideME157049-C00153--
N-(L-Arginino)succinateArgininosuccinic acidME157075-C03406--
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME157103-C01210--
N-N-DimethylglycineDimethylglycineME157069-C01026--
N-(Pentadecanoyl)-ethanolaminePentadecanoyl-EAME157117----
N-(Tetradecanoyl)-ethanolamineMyristoyl-EAME157116----
O-ButanoylcarnitineCAR 4:0ME157107-C02862--
O-Decanoyl-L-carnitineCAR 10:0ME157110-C03299--
O-PropanoylcarnitineCAR 3:0ME157106-C03017--
OrnithineOrnithineME157073-C01602--
OrthophosphatePhosphoric acidME157056-C00009--
Peptide tryptophan-ME157128-C02732--
phenylalaninePhenylalanineME157026-C00079--
PhosphocreatinePhosphocreatineME157087-C02305--
prolineProlineME157027-C00148--
Prostaglandin A2PGA2ME157113-C05953--
Protein 5-hydroxylysine-ME157142-C03429--
Protein glutamine-ME157140-C02583--
PutrescinePutrescineME157076-C00134--
PyridoxalPyridoxalME157048-C00250--
RiboflavinRiboflavinME157135-C00255--
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME157070-C00021--
S-Adenosyl-L-methionineS-AdenosylmethionineME157071-C00019--
(S)(+)-AllantoinAllantoinME157039-C02350--
serineSerineME157028-C00065--
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME157060-C05526--
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME157104-C01233--
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME157101-C00093--
SpermidineSpermidineME157077-C00315--
SpermineSpermineME157078-C00750--
TaurineTaurineME157093-C00245--
Tetradecenoic acidTetradecenoic acidME157112-C08322--
Thioredoxin disulfide-ME157137-C00343--
threonineThreonineME157029-C00188--
ThymidineThymidineME157047-C00214--
ThymineThymineME157046-C00178--
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME157092-C01157--
TriacanthineTriacanthineME157123-C08435--
tryptophanTryptophanME157030-C00078--
tyrosineTyrosineME157031-C00082--
UMPUMPME157042-C00105--
UracilUracilME157054-C00106--
valineValineME157032-C00183--
XanthineXanthineME157036-C00385--


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
11(R)-HPETE/Leukotriene B4 (isobars)11-HpETEME157193-C14820--
13(S)-HODE13S-HODEME157191-C14762--
1-4-beta-D-Xylan-ME157175-C02352--
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME157153-C00631--
2-Oxoglutarate2-Oxoglutaric acidME157162-C00026--
3alpha-7alpha-12alpha-Trihydroxy-5beta-cholanateCholic acidME157187-C00695--
4-Pyridoxate4-Pyridoxic acidME157148-C00847--
6-Phospho-D-gluconate6-Phosphogluconic acidME157167-C00345--
9(S)-HODE9S-HODEME157192-C14767--
AcetoacetateAcetoacetic acidME157176-C00164--
alhpa-tocopheronolactoneAlhpa-tocopheronolactoneME157181----
AMPAMPME157147-C00020--
CatechinCatechinME157195-C17590--
CitrateCitric acidME157161-C00158--
CortisolCortisolME157194-C00735--
DehydroascorbateL-Dehydroascorbic acidME157172-C05422--
D-Erythrose 4-phosphateErythrose 4-phosphateME157169-C00279--
D-Glucono-1-5-lactone 6-phosphate6-Phosphonoglucono-D-lactoneME157168-C01236--
D-GlucoseGlucoseME157150-C00031--
D-Glucose 6-phosphateGlucose 6-phosphateME157151-C02965--
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME157152-C00118--
dihydroxy-hexadecanoic acidDihydroxyhexadecanoic acidME157184----
dihydroxy-octadecanoic acid-ME157182----
DiphosphatePyrophosphateME157149-C00013--
Dodecanedioic acidDodecanedioic acidME157180-C02678--
D-O-Phosphoserine-ME157173-C02532--
D-RhamnoseRhamnoseME157160-C01684--
D-RiboseRiboseME157159-C00121--
epoxy-octadecanoic acid-ME157186----
FumarateFumaric acidME157164-C00122--
GlycocholateGlycocholic acidME157188-C01921--
Heptanoic acidHeptylic acidME157177-C17714--
Hydroxyacetone phosphateHydroxyacetone phosphateME157196-C03505--
hydroxy-dodecanedioic acidHydroxydodecanedioic acidME157183----
Icosatetraenoic acidEicosatetraenoic acidME157179-C00219--
LactateLactic acidME157155-C01432--
MalateMalic acidME157165-C00149--
MaltoseMaltoseME157156-C00208--
MaltotrioseMaltotrioseME157157-C01835--
MannitolMannitolME157158-C00392--
Octanoic acid (caprylate)Caprylic acidME157178-C06423--
OxaloacetateOxaloacetic acidME157166-C00036--
Pentose phosphates (isobars)Ribulose 5-phosphateME157171-C00199--
PyruvatePyruvic acidME157154-C00022--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME157170-C05382--
SuccinateSuccinic acidME157163-C00042--
SulfoglycolithocholateSulfoglycolithocholic acidME157190-C11301--
TaurochenodeoxycholateTaurochenodeoxycholic acidME157189-C05465--
trihydroxy-octadecenoic acidTrihydroxyoctadecenoic acidME157185----
UrateUric acidME157174-C00366--


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