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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
PhosphatePhosphoric acidME734029-C00009-96.9681
DiphosphatePyrophosphateME734030-C00013-176.9344
UDPUDPME734024-C00015-402.9996
PyruvatePyruvic acidME734033-C00022-87.0072
2-Oxoglutarate2-Oxoglutaric acidME734040-C00026-145.0137
D-GlucoseGlucoseME734031-C00031-179.0557
OxaloacetateOxaloacetic acidME734045-C00036-131.0003
SuccinateSuccinic acidME734042-C00042-117.0179
Glycerol 3-phosphatesn-Glycero-3-phosphateME734053-C00093-171.0045
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME734032-C00118-168.9883
5-Phospho-alpha-D-ribose 1-diphosphatePhosphoribosyl pyrophosphateME734047-C00119-388.9479
D-RiboseRiboseME734036-C00121-149.0449
FumarateFumaric acidME734043-C00122-115.0023
IMPIMPME734025-C00130-347.0362
MalateMalic acidME734044-C00149-133.0130
CitrateCitric acidME734039-C00158-191.0187
ThymineThymineME734023-C00178-125.0342
TaurineTaurineME734052-C00245-124.0061
Butanoic/Butyric acidButyric acidME734056-C00246-87.0436
Hexadecanoic acid (palmitic acid)Palmitic acidME734065-C00249-255.2328
InosineInosineME734026-C00294-267.0732
dTMPdTMPME734022-C00364-321.0442
MannitolMannitolME734035-C00392-181.0709
5-6-DihydrouracilDihydrouracilME734051-C00429-113.0342
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME734048-C00669-249.0589
Octadecenoic acid (Oleic acid)Oleic acidME734069-C00712-281.2485
Pentanoate (valerate)Valeric acidME734057-C00803-101.0593
2-Oxoglutaramate2-Keto-glutaramic acidME734041-C00940-144.0291
Sphinganine 1-phosphateSphinganine 1-phosphateME734055-C01120-380.2551
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME734054-C01233-214.0504
LactateLactic acidME734034-C01432-89.0229
Octadecanoic acid (stearic acid)Stearic acidME734066-C01530-283.2641
Decanoic acid (capric acid)Capric acidME734062-C01571-171.1381
Hexanoic acid (caproate)Caproic acidME734058-C01585-115.0750
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)Linoleic acidME734070-C01595-279.2329
Nonanoic acid (pelargonic acid)Pelargonic acidME734061-C01601-157.1223
D-RhamnoseRhamnoseME734037-C01684-163.0605
D-ArabitolArabitolME734038-C01904-151.0604
1-4-beta-D-Xylan-ME734050-C02352-131.0339
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME734046-C02630-147.0293
Dodecanedioic acidDodecanedioic acidME734072-C02678-229.1442
Dodecanoic acid (lauric acid)Lauric acidME734063-C02679-199.1696
N-Glycoloyl-neuraminateN-Glycolylneuraminic acidME734049-C03410-324.0991
5'-Phosphoribosyl-N-formylglycinamideFGARME734028-C04376-313.0498
Octanoic acid (caprylic acid)Caprylic acidME734060-C06423-143.1066
Tetradecanoic acid (myristic acid)Myristic acidME734064-C06424-227.2012
a-Linolenic acid (Octadecatrienoic acid)Octadecatrienoic acidME734071-C06427-277.2173
Tetradecenoic acid (myristoleic acid)Myristoleic acidME734067-C08322-225.1855
Hexadecenoic acid (Palmitoleic acid)Palmitoleic acidME734068-C08362-253.2172
5-Hydroxyisourate5-Hydroxyisouric acidME734027-C11821-183.0132
Heptanoic acidHeptylic acidME734059-C17714-129.0908


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-OH (hydroxyisovalerylcarnitine)CAR 4:0;2OH,3MeME734131-ac107-262.1644
NAD+NADME734101-C00003-664.1158
AMPAMPME734087-C00020-348.0699
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME734104-C00021-385.1337
L-glutamateGlutamic acidME734075-C00025-148.0603
UDP-glucoseUDP-glucoseME734100-C00029-567.0608
L-alanineAlanineME734073-C00041-90.0550
L-lysineLysineME734079-C00047-147.1128
L-arginineArginineME734074-C00062-175.1189
L-glutamineGlutamineME734076-C00064-147.0764
L-serineSerineME734083-C00065-106.0498
L-methionineMethionineME734080-C00073-150.0573
L-phenylalaninePhenylalanineME734081-C00079-166.0863
L-tyrosineTyrosineME734085-C00082-182.0811
UracilUracilME734091-C00106-113.0355
Anthranilate2-Aminobenzoic acidME734122-C00108-138.0545
L-leucineLeucineME734078-C00123-132.1019
PutrescinePutrescineME734107-C00134-89.1072
L-histidineHistidineME734077-C00135-156.0767
AdenineAdenineME734088-C00147-136.0625
L-prolineProlineME734082-C00148-116.0705
NicotinamideNiacinamideME734098-C00153-123.0552
L-valineValineME734086-C00183-118.0861
L-threonineThreonineME734084-C00188-120.0655
ThymidineThymidineME734090-C00214-243.0990
dCMPdCMPME734089-C00239-308.0647
PyridoxalPyridoxalME734097-C00250-168.0655
HypoxanthineHypoxanthineME734092-C00262-137.0459
CreatineCreatineME734109-C00300-132.0767
SpermidineSpermidineME734108-C00315-146.1651
L-CitrullineCitrullineME734106-C00327-176.1030
kynurenineKynurenineME734120-C00328-209.0920
UrateUric acidME734096-C00366-169.0355
XanthineXanthineME734093-C00385-153.0406
5-Aminopentanoate5-Aminopentanoic acidME734114-C00431-118.0861
N-AcetylornithineN-AcetylornithineME734111-C00437-175.1077
IndoleIndoleME734117-C00463-118.0649
AllantoateAllantoic acidME734094-C00499-177.0614
SerotoninSerotoninME734127-C00780-177.1021
CreatinineCreatinineME734110-C00791-114.0662
PantothenolPantothenolME734115-C00864-220.1177
L-TryptophanamideTryptophanamideME734119-C00977-204.1130
OrnithineOrnithineME734105-C01602-133.0972
5-OxoprolinePyroglutamic acidME734102-C01879-130.0499
AcetylcholineAcetylcholineME734128-C01996-146.1176
(S)(+)-AllantoinAllantoinME734095-C02350-159.0513
acetyl-carnitine (acyl-C2)CAR 2:0ME734129-C02571-204.1229
N-formyl kynurenineN-Formyl-L-kynurenineME734121-C02700-237.0857
propionyl-carnitine (acyl-C3)CAR 3:0ME734130-C03017-218.1385
5-Phosphoribosylamine5-PhosphoribosylamineME734099-C03090-230.0440
g-Oxalo-crotonate4-Oxalocrotonic acidME734124-C03453-159.0276
Formyl-5-hydroxy-kynurenamineFormyl-5-hydroxykynurenamineME734125-C05647-209.0920
8-Methoxykynurenate8-Methoxykynurenic acidME734126-C05830-220.0617
3-Methyldioxyindole3-MethyldioxyindoleME734116-C05834-146.0600
N-Succinyl-L-glutamateN2-SuccinylglutamateME734112-C05931-248.0742
N-Succinyl-L-glutamate 5-semialdehyde-ME734113-C05932-232.0799
6-Hydroxykynurenic acid6-Hydroxykynurenic acidME734118-C08480-206.0445
Picolinic acidPicolinic acidME734123-C10164-124.0391
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME734103-C15699-218.1535


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