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Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
ATPATPME908295-C000023.893505.9883
ADPADPME908296-C000083.875426.0229
PhosphatePhosphoric acidME908310-C000090.77496.9681
DiphosphatePyrophosphateME908311-C000130.783176.9352
UDPUDPME908303-C000153.860402.9951
PyruvatePyruvic acidME908316-C000220.78787.0073
D-GlucoseGlucoseME908312-C000310.661179.0554
GDPGDPME908298-C000353.869442.0172
OxaloacetateOxaloacetic acidME908325-C000360.717131.0006
SuccinateSuccinic acidME908323-C000420.901117.0179
GTPGTPME908297-C000443.890521.9840
CMPCMPME908300-C000550.739322.0448
PhosphoenolpyruvatePhosphoenolpyruvic acidME908315-C000743.846166.9741
UTPUTPME908302-C000753.885482.9611
Glycerol 3-phosphatesn-Glycero-3-phosphateME908341-C000930.676171.0055
UMPUMPME908304-C001050.780323.0289
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME908314-C001181.760168.9883
D-RiboseRiboseME908320-C001210.803149.0457
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME908337-C001280.840613.1412
MalateMalic acidME908324-C001490.775133.0129
CitrateCitric acidME908322-C001580.570191.0188
MaltoseMaltoseME908318-C002080.664337.6981
Eicosatetraenoic acidEicosatetraenoic acidME908347-C002192.587303.2329
TaurineTaurineME908338-C002450.637124.0060
Hexadecanoic acidPalmitic acidME908342-C002492.889255.2329
N-AcetylneuraminateN-Acetylneuraminic acidME908336-C002700.678308.0992
InosineInosineME908305-C002940.652267.0723
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME908313-C003540.639338.9938
UrateUric acidME908307-C003660.847167.0203
XanthineXanthineME908306-C003850.880151.0251
GuanosineGuanosineME908299-C003870.970282.0842
CytidineCytidineME908301-C004750.687242.0798
CystathionineCystathionineME908334-C005420.614218.8268
alpha-D-Ribose 1-phosphateRibose 1-phosphateME908328-C006200.663229.0116
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME908331-C006690.863249.0568
Octadecenoic acidOctadecenoic acidME908345-C007122.922281.2485
SorbitolSorbitolME908319-C007940.701181.0706
4-Pyridoxate4-Pyridoxic acidME908309-C008470.662182.0430
5-6-DihydrothymineDihydrothymineME908308-C009060.648127.0500
DimethylglycineDimethylglycineME908335-C010260.645102.0547
LactateLactic acidME908317-C014320.85789.0229
Octadecanoic acidStearic acidME908343-C015303.377283.2642
LinoleateLinoleic acidME908346-C015952.692279.2329
D-RhamnoseRhamnoseME908321-C016841.778163.0606
5-OxoprolinePyroglutamic acidME908329-C018790.829128.0341
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME908326-C026300.850147.0288
Bis-gamma-glutamylcystineBis-gamma-glutamylcystineME908332-C036461.777497.1052
quinolinic acidQuinolinic acidME908340-C037220.777162.7286
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME908333-C052830.648274.1048
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME908330-C055260.628425.0809
3-methyldioxyindole3-MethyldioxyindoleME908339-C058340.914157.3802
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME908327-C062220.644286.0839
Hexadecenoic acidHexadecenoic acidME908344-C083622.604253.2172


Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
acyl-C5-OHCAR 5:0;OHME908423-ac1071.088262.1641
acyl-C8:1 (octenoyl-l-carnitine)CAR 8:1ME908426-ac1111.906286.2006
NAD+NADME908382-C000030.780664.1141
AMPAMPME908368-C000200.763348.0698
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME908388-C000210.865385.1280
L-glutamateGlutamic acidME908353-C000250.662148.0605
glycineGlycineME908355-C000370.70976.0392
L-alanineAlanineME908348-C000410.66190.0548
L-lysineLysineME908358-C000470.594147.1125
L-aspartateAspartic acidME908351-C000490.660134.0448
GlutathioneGlutathioneME908383-C000510.856308.0899
L-arginineArginineME908349-C000620.624175.1189
L-glutamineGlutamineME908354-C000640.660147.0762
L-serineSerineME908362-C000650.653106.0498
L-methionineMethionineME908359-C000730.864150.0583
L-tryptophanTryptophanME908364-C000781.728205.0969
Tryptophan 13C11TryptophanME908428-C000781.731166216.1342
L-phenylalaninePhenylalanineME908360-C000791.394166.0859
L-tyrosineTyrosineME908365-C000820.923182.0808
L-cysteineCysteineME908352-C000970.583120.8540
UracilUracilME908375-C001060.895113.0343
CholineCholineME908417-C001140.652104.1067
L-leucine/L-isoleucine-ME908357-C001231.013132.1016
Glutathione disulfideOxidized glutathioneME908384-C001270.862613.1570
IMPIMPME908376-C001300.848349.0543
PutrescinePutrescineME908390-C001340.59389.1072
L-histidineHistidineME908356-C001350.605156.0768
GMPGMPME908372-C001440.835364.0642
AdenineAdenineME908371-C001470.934136.0616
L-prolineProlineME908361-C001480.688116.0703
L-asparagineAsparagineME908350-C001520.644133.0601
NicotinamideNiacinamideME908381-C001530.865123.0549
L-valineValineME908366-C001830.763118.0859
L-threonineThreonineME908363-C001880.657120.0654
AdenosineAdenosineME908370-C002120.927268.1034
PyridoxalPyridoxalME908380-C002500.831168.0653
HypoxanthineHypoxanthineME908377-C002620.869137.0458
CreatineCreatineME908395-C003000.678132.0764
SpermidineSpermidineME908391-C003150.590146.1650
kynurenineKynurenineME908407-C003281.411207.0417
Kynurenine 13C10KynurenineME908431-C003281.396368219.125
IndolepyruvateIndolepyruvateME908405-C003310.923204.0626
Indole-Pyruvate 13C11IndolepyruvateME908429-C003311.832684215.1055
Ethanolamine phosphatePhosphoethanolamineME908414-C003460.676142.0263
dAMPdAMPME908369-C003600.855332.0773
dTMPdTMPME908374-C003641.049323.0683
CytosineCytosineME908373-C003800.716112.0504
IndoleIndoleME908403-C004631.803118.0648
L-cystineCystineME908367-C004910.674241.0291
AllantoateAllantoic acidME908378-C004990.614177.0608
HypotaurineHypotaurineME908400-C005190.666110.0270
3',5'-Cyclic AMP3',5' cyclic AMPME908379-C005750.964330.0586
GuanidinoacetateGuanidoacetic acidME908397-C005810.659118.0609
Indole-3-acetaldehydeIndoleacetaldehydeME908404-C006371.740158.5215
SpermineSpermineME908392-C007500.564203.2227
L-AdrenalineEpinephrineME908412-C007881.632184.0965
CreatinineCreatinineME908396-C007910.679114.0661
PantetheinePantetheineME908399-C008311.705279.1346
PantothenolPantothenolME908398-C008641.617220.1172
HomocarnosineHomocarnosineME908394-C008840.866241.1279
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME908415-C012100.665156.0420
Cys-GlyCys-GlyME908385-C014190.856179.0480
OrnithineOrnithineME908389-C016020.594133.0971
AcetylcholineAcetylcholineME908416-C019960.743146.1173
2-Aminomuconate2-Aminomuconic acidME908410-C022200.866158.0448
acyl-C2 (acetyl-carnitine)CAR 2:0ME908418-C025710.853204.1229
L-Formylkynurenine 13C11N-FormylkynurenineME908430-C027001.461402248.1231
N-formyl kynurenineN-FormylkynurenineME908408-C027001.466234.6420
acyl-C4 (butanoyl-l-carnitine)CAR 4:0ME908420-C028621.738232.1538
L-Methionine S-oxideMethionine sulfoxideME908401-C029890.867166.0528
acyl-C3 (propionyl-carnitine)CAR 3:0ME908419-C030171.076218.1382
N-Glycoloyl-neuraminateN-Glycolylneuraminic acidME908393-C034101.818326.1077
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME908386-C037380.864219.0974
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME908402-C056351.407190.1633
8-Methoxykynurenate8-Methoxykynurenic acidME908411-C058301.825220.0616
EctoineEctoineME908413-C062310.889143.0813
6-Hydroxykynurenic acid6-Hydroxykynurenic acidME908406-C084800.897203.9663
Picolinic acidPicolinic acidME908409-C101640.574124.0408
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME908387-C157670.873230.7342
acyl-C5 (isovalerylcarnitine)CAR 4:0;3MeME908422-C208261.774246.1694
acyl-C10:1 (O-Decenoyl-L-carnitine)CAR 10:1ME908427-CID573571701.930314.2318
acyl-C6 (hexanoyl-l-carnitine)CAR 6:0ME908424-HMDB007561.801260.1851
acyl-C8 (L-octanoylcarnitineCAR 8:0ME908425-HMDB007911.879288.2163
acyl-C4-DCCAR DC4:0ME908421-HMDB131330.869262.1274


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