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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 CMPME471120-C02354--
3',5'-Cyclic AMP3',5' cyclic AMPME471119-C00575--
4-Acetamidobutanoate4-Acetamidobutanoic acidME471144-C02946--
5-6-DihydrothymineDihydrothymineME471121-C00906--
5-6-Dihydrouracil-ME471149-C00429--
5-Guanidino-2-oxopentanoate2-OxoarginineME471141-C03771--
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME471154-C05635--
5-Hydroxyisourate5-Hydroxyisouric acidME471118-C11821--
5-OxoprolinePyroglutamic acidME471128-C01879--
acetyl-carnitine (acyl-C2)-ME471170-C02571--
AcetylcholineAcetylcholineME471168-C01996--
acyl-C18:2 (Linoleoyl-CoA)-ME471187-HMDB01064--
acyl-C20:4-ME471188-ac125--
acyl-C4-OH (Hydroxybutyrylcarnitine)-ME471173-HMDB13127--
acyl-C5:1 (Tiglylcarnitine)-ME471174-HMDB02366--
acyl-C5-OH (hydroxyisovalerylcarnitine)-ME471175-ac107--
AdenosineAdenosineME471109-C00212--
AllantoateAllantoic acidME471117-C00499--
Anthranilate2-Aminobenzoic acidME471160-C00108--
butanoyl-l-carnitine (acyl-C4)-ME471172-C02862--
CarnosineCarnosineME471140-C00386--
CreatineCreatineME471142-C00300--
CreatinineCreatinineME471143-C00791--
CytidineCytidineME471111-C00475--
CytosineCytosineME471112-C00380--
D-GlucosamineGlucosamineME471139-C00329--
DimethylglycineDimethylglycineME471132-C01026--
DopamineDopamineME471164-C03758--
EctoineEctoineME471165-C06231--
gamma-Glutamyl-gamma-aminobutyrate-ME471130-C15767--
Glutathione disulfideOxidized glutathioneME471127-C00127--
g-Oxalo-crotonate-ME471161-C03453--
GuanidinoacetateGuanidoacetic acidME471146-C00581--
GuanineGuanineME471110-C00242--
Hexadecenoyl-carnitine (acyl-C16:1)-ME471185-HMDB06317--
hexanoyl-L-carnitine (acyl-C6)-ME471176-HMDB00756--
Hydroxyindole-acetylglycine-ME471162-C05832--
HypoxanthineHypoxanthineME471115-C00262--
IMPIMPME471113-C00130--
IndoleIndoleME471155-C00463--
IndolepyruvateIndolepyruvateME471156-C00331--
IndoxylIndoxylME471157-C05658--
InosineInosineME471114-C00294--
kynurenineKynurenineME471158-C00328--
L-AdrenalineEpinephrineME471163-C00788--
L-alanineAlanineME471091-C00041--
L-arginineArginineME471092-C00062--
L-asparagineAsparagineME471093-C00152--
L-aspartateAspartic acidME471094-C00049--
L-CarnitineCarnitineME471169-C00318--
L-CitrullineCitrullineME471135-C00327--
L-cystineCystineME471108-C00491--
L-glutamateGlutamic acidME471095-C00025--
L-glutamineGlutamineME471096-C00064--
L-histidineHistidineME471097-C00135--
L-HomocysteineHomocysteineME471131-C00155--
L-leucine/isoleucine-ME471098-C00123--
L-lysineLysineME471099-C00047--
L-methionineMethionineME471100-C00073--
L-Methionine S-oxideMethionineME471153-C02989--
L-octanoylcarnitine (acyl-C8)-ME471177-C02838--
L-Palmitoylcarnitine (acyl-C16)-ME471184-C02990--
L-phenylalaninePhenylalanineME471101-C00079--
L-prolineProlineME471102-C00148--
L-serineSerineME471103-C00065--
L-threonineThreonineME471104-C00188--
L-tryptophanTryptophanME471105-C00078--
L-tyrosineTyrosineME471106-C00082--
L-valineValineME471107-C00183--
N-AcetylornithineN-AcetylornithineME471145-C00437--
NAD+NAD+ME471125-C00003--
NADP+NADP+ME471124-C00006--
N-formyl kynurenineN-Formyl-L-kynurenineME471159-C02700--
NicotinamideNiacinamideME471123-C00153--
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME471166-C01210--
octenoyl-l-carnitine (acyl-C8:1)-ME471178-ac111--
O-Decenoyl-L-carnitine (acyl-C10:1)-ME471179-CID57357170--
O-dodecanoyl-carnitine (acyl-C12)-ME471180-HMDB02250--
O-dodecenoyl-carnitine (acyl-C12:1)-ME471181-HMDB13326--
O-octadecenoyl-L-carnitine (acyl-C18:1)-ME471186-HMDB06351--
OrnithineOrnithineME471134-C01602--
O-tetradecanoyl-L-carnitine (acyl-C14)-ME471182-HMDB05066--
PantetheinePantetheineME471150-C00831--
Pantetheine 4--phosphate-ME471151-C01134--
PantothenolPantothenolME471148-C00864--
PhosphatePhosphoric acidME471126-C00009--
propionyl-carnitine (acyl-C3)-ME471171-C03017--
PutrescinePutrescineME471136-C00134--
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME471122-C00647--
S-Adenosyl-L-methionineS-AdenosylmethionineME471133-C00019--
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME471129-C05526--
SpermidineSpermidineME471137-C00315--
SpermineSpermineME471138-C00750--
SphingosineSphingosineME471167-C00319--
TaurineTaurineME471152-C00245--
Tetradecenoyl Carnitine (acyl-C14:1)-ME471183-HMDB13329--
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME471147-C01157--
XanthineXanthineME471116-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
1/2-3-Bisphosphoglycerate-ME471214-C00236--
2/3-Phospho-D-glycerate-ME471215-C00631--
2-Hydroxyglutarate/Citramalate-ME471230-C02630--
2-Oxoglutaramate2-Keto-glutaramic acidME471225-C00940--
2-OxoglutarateOxoglutaric acidME471224-C00026--
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione-ME471258-C04287--
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME471242-C03232--
3-Sulfino-L-alanine3-Sulfino-alanineME471251-C00606--
3-Sulfocatechol3-SulfocatecholME471252-C06336--
4-Pyridoxate4-Pyridoxic acidME471206-C00847--
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME471241-C05283--
6-Phospho-D-gluconate6-Phosphogluconic acidME471231-C00345--
AdenineAdenineME471193-C00147--
ADPADPME471190-C00008--
ADP-D-riboseADP-riboseME471208-C01882--
Adrenic acid (7,10,13,16-Docosatetraenoic acid)-ME471279-C16527--
a-Linolenic acid (Octadecatrienoic acid)-ME471275-C06427--
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME471246-C06156--
alpha-D-Ribose 1-phosphateRibose 1-phosphateME471235-C00620--
AMPAMPME471191-C00020--
Arachidonic acid (Eicosatetraenoic acid)-ME471276-C00219--
AscorbateVitamin CME471237-C00072--
ATPATPME471189-C00002--
CitrateCitric acidME471223-C00158--
CMPCMPME471197-C00055--
CMP-N-acetylneuraminate-ME471248-C00128--
dAMPdAMPME471192-C00360--
D-ArabitolArabitolME471222-C01904--
Decanoic acid (capric acid)-ME471266-C01571--
DehydroascorbateL-Dehydroascorbic acidME471238-C05422--
D-Erythrose 4-phosphateErythrose 4-phosphateME471233-C00279--
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME471212-C00354--
D-Glucono-1-5-lactone 6-phosphate-ME471232-C01236--
D-GlucoseGlucoseME471210-C00031--
D-Glucose 6/1-phosphate-ME471211-C02965--
D-Glyceraldehyde 3-phosphate/Glycerone phosphate-ME471213-C00118--
Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatri...-ME471281-C03242--
DiphosphatePyrophosphateME471209-C00013--
Docosahexaenoic acidDocosahexaenoic acidME471278-C06429--
Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa...-ME471282-C16513--
Dodecanoic acid (lauric acid)-ME471267-C02679--
D-RhamnoseRhamnoseME471221-C01684--
D-RiboseRiboseME471220-C00121--
Eicosapentaenoic acidEicosapentaenoic acidME471280-C06428--
Ethanolamine phosphatePhosphoethanolamineME471260-C00346--
FumarateFumaric acidME471227-C00122--
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME471240-C03738--
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME471239-C00669--
GDPGDPME471195-C00035--
GlutathioneGlutathioneME471236-C00051--
Glycerol 3-phosphatesn-Glycero-3-phosphateME471259-C00093--
GMPGMPME471196-C00144--
GTPGTPME471194-C00044--
Heptanoic acidHeptylic acidME471263-C17714--
Hexadecanoic acid (palmitic acid)-ME471269-C00249--
Hexadecenoic acid (Palmitoleic acid)-ME471272-C08362--
Hexanoic acid (caproate)-ME471262-C01585--
Indole-3-acetaldehydeIndoleacetaldehydeME471254-C00637--
Indole-3-acetateIndoleacetic acidME471255-C00954--
ITPITPME471202-C00081--
LactateLactic acidME471218-C01432--
L-CysteateCysteic acidME471253-C00506--
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)-ME471274-C01595--
MalateMalic acidME471228-C00149--
Mannitol/SorbitolSorbitolME471219-C00392/C00794--
N-AcetylneuraminateN-Acetylneuraminic acidME471244-C00270--
N-Glycoloyl-neuraminateN-GlycoloylneuraminateME471245-C03410--
Nonanoic acid (pelargonic acid)-ME471265-C01601--
N-Succinyl-L-glutamate 5-semialdehyde-ME471250-C05932--
Octadecanoic acid (stearic acid)-ME471270-C01530--
Octadecenoic acid (Oleic acid)-ME471273-C00712--
Octanoic acid (caprylic acid)-ME471264-C06423--
OxaloacetateOxaloacetic acidME471229-C00036--
PhosphocreatinePhosphocreatineME471249-C02305--
PhosphoenolpyruvatePhosphoenolpyruvic acidME471216-C00074--
Picolinic acidPicolinic acidME471257-C10164--
PyridoxalPyridoxalME471205-C00250--
PyruvatePyruvic acidME471217-C00022--
quinolinic acidQuinolinic acidME471256-C03722--
(S)(+)-AllantoinAllantoinME471203-C02350--
Sedoheptulose 1/7-phosphate-ME471234-C06222--
Sphingosine 1-phosphateSphingosine 1-phosphateME471261-C06124--
Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraeno...-ME471277-C16300--
SuccinateSuccinic acidME471226-C00042--
Tetradecanoic acid (myristic acid)-ME471268-C06424--
Tetradecenoic acid (myristoleic acid)-ME471271-C08322--
Tetrahydrofolate6R-THFME471243-C00101--
ThymidineThymidineME471198-C00214--
UDP-glucoseUDP-glucoseME471207-C00029--
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME471247-C00043--
UMPUMPME471200-C00105--
UracilUracilME471201-C00106--
UrateUric acidME471204-C00366--
UTPUTPME471199-C00075--


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