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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
O-Decenoyl-L-carnitineCAR 10:1ME29239157357170--314.231
octenoyl-l-carnitineCAR 8:1ME29238970679121--286.2006
3-Methyleneoxindole3-MethyleneoxindoleME292374-C02796-146.0595
4-Acetamidobutanoate4-Acetamidobutanoic acidME292368-C02946-146.0807
5-Guanidino-2-oxopentanoate2-OxoarginineME292365-C03771-174.0869
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME292373-C05635-192.0645
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME292359-C05283-276.1174
5-OxoprolinePyroglutamic acidME292356-C01879-130.0496
AcetylcholineAcetylcholineME292383-C01996-146.117
AdenineAdenineME292348-C00147-136.0614
AllantoateAllantoic acidME292353-C00499-177.0603
Anthranilate2-Aminobenzoic acidME292396-C00108-138.0545
CholineCholineME292384-C00114-105.1133
CreatineCreatineME292366-C00300-132.0762
CreatinineCreatinineME292367-C00791-114.0661
Cys-GlyCys-GlyME292357-C01419-179.0476
DimethylglycineDimethylglycineME292361-C01026-104.0706
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME292358-C03738-219.0969
g-Oxalo-crotonate4-Oxalocrotonic acidME292380-C03453-159.0272
Hexanoic acidCaproic acidME292394-C01585-117.0909
hexanoyl-L-carnitineCAR 6:0ME292388---260.1851
HydroxybutyrylcarnitineCAR 4:0;OHME292386---248.1467
HypoxanthineHypoxanthineME292351-C00262-137.0451
IndoleIndoleME292375-C00463-118.0651
Indole-3-acetaldehydeIndoleacetaldehydeME292376-C00637-160.0751
Indole-3-acetateIndoleacetic acidME292377-C00954-176.0702
InosineInosineME292350-C00294-269.0866
IsovalerylcarnitineCAR 4:0;3MeME292393---246.1694
kynurenineKynurenineME292378-C00328-209.0912
L-AdrenalineEpinephrineME292381-C00788-184.0937
L-AlanineAlanineME292329-C00041-90.05525
L-arginineArginineME292330-C00062-175.1182
L-asparagineAsparagineME292331-C00152-133.0603
L-AspartateAspartic acidME292332-C00049-134.0442
L-CarnitineCarnitineME292385-C00318-163.1187
L-CitrullineCitrullineME292364-C00327-176.1022
L-cysteineCysteineME292333-C00097-122.0267
L-cystineCystineME292347-C00491-241.0295
L-glutamateGlutamic acidME292334-C00025-148.0596
L-glutamineGlutamineME292335-C00064-147.0759
L-histidineHistidineME292336-C00135-156.0762
L-HomocysteineHomocysteineME292360-C00155-136.042
L-leucineLeucineME292337-C00123-132.1015
L-lysineLysineME292338-C00047-147.1122
L-methionineMethionineME292339-C00073-150.0576
L-Methionine S-oxideMethionine sulfoxideME292372-C02989-166.0527
L-phenylalaninePhenylalanineME292340-C00079-166.0857
L-prolineProlineME292341-C00148-116.0704
L-serineSerineME292342-C00065-106.0498
L-threonineThreonineME292343-C00188-120.0654
L-tryptophanTryptophanME292344-C00078-205.0962
L-tyrosineTyrosineME292345-C00082-182.0803
L-valineValineME292346-C00183-118.086
N-AcetylornithineN-AcetylornithineME292369-C00437-175.1072
O-Decanoyl-L-carnitineCAR 10:0ME292390---316.2469
O-dodecenoyl-carnitineCAR 12:1ME292392---342.2622
OrnithineOrnithineME292363-C00077-133.0967
Picolinic acidPicolinic acidME292379-C10164-124.0402
PyridoxalPyridoxalME292354-C00250-168.0627
Pyridoxamine phosphatePyridoxamine 5'-phosphateME292355-C00647-249.06
Quinolinic acidQuinolinic acidME292397-C03722-168.0292
SarcosineSarcosineME292362-C00213-90.05527
SerotoninSerotoninME292395-C00780-177.1016
Sphingosine 1-phosphateSphingosine 1-phosphateME292382-C06124-380.2541
TaurineTaurineME292371-C00245-126.0215
TiglylcarnitineCAR 4:1;2MeME292387---244.1538
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME292370-C01157-132.0653
UracilUracilME292349-C00106-113.0343
XanthineXanthineME292352-C00385-153.0401


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-ME292416-C02352-131.0332
2',3'-Cyclic CMP2',3' cyclic CMPME292399-C02354-304.0353
2-Hydroxyglutarate2-Hydroxyglutaric acidME292412-C02630-147.0283
2-Oxoglutarate2-Oxoglutaric acidME292407-C00026-145.0129
3-Sulfocatechol3-SulfocatecholME292418-C06336-188.9848
alpha-D-Ribose 1-phosphateRibose 1-phosphateME292413-C00620-229.0112
AscorbateVitamin CME292414-C00072-175.0234
CitrateCitric acidME292406-C00158-191.0182
DehydroascorbateDehydroascorbic acidME292415-C05422-173.0078
D-GlucoseGlucoseME292401-C00031-179.0547
D-RiboseRiboseME292405-C00121-149.044
FumarateFumaric acidME292409-C00122-115.0019
L-1-Pyrroline-3-hydroxy-5-carboxylate-ME292417-C04281-128.0334
LactateLactic acidME292403-C00186-89.02254
MalateMalic acidME292410-C00149-133.0126
MannitolMannitolME292404-C00392-181.0704
Octanoic acidCaprylic acidME292419-C06423-143.1057
OxaloacetateOxaloacetic acidME292411-C00036-130.9999
PhosphatePhosphoric acidME292400-C00009-96.96776
PyruvatePyruvic acidME292402-C00022-87.00687
SuccinateSuccinic acidME292408-C00042-117.0176
UrateUric acidME292398-C00366-167.0195


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