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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
2-Oxo-7-methylthioheptanoic acid2-Oxo-7-methylthioheptanoic acidME461063-C17220-191.0761
3-methyldioxyindole3-MethyldioxyindoleME461051-C05834-164.0703
5-OxoprolinePyroglutamic acidME461035-C01879-130.0498
6-Lactoyl-5-6-7-8-tetrahydropterin6-LactoyltetrahydropterinME461057-C04244-240.1083
AcetylcholineAcetylcholineME461054-C01996-146.1172
AdenineAdenineME461025-C00147-136.0616
AdenosineAdenosineME461024-C00212-268.1030
AllantoateAllantoic acidME461032-C00499-177.0606
AMPAMPME461023-C00020-348.0691
Anthranilate2-Aminobenzoic acidME461052-C00108-138.0547
CholineCholineME461055-C00114-104.1073
cis-p-Coumarate-ME461059-C06738-165.0542
CMPCMPME461027-C00055-324.0580
CreatineCreatineME461045-C00300-132.0766
CreatinineCreatinineME461046-C00791-114.0663
Cys-GlyCys-GlyME461036-C01419-179.0480
CytidineCytidineME461028-C00475-244.0944
CytosineCytosineME461029-C00380-112.0508
DimethylglycineDimethylglycineME461038-C01026-104.0709
ErgothioneineErgothioneineME461058-C02732-230.0951
Fe(III)dicitrate-ME461061-C06229-245.9443
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME461037-C15767-233.1131
glycineGlycineME461012-C00037-76.0400
GuanineGuanineME461026-C00242-152.0565
HypoxanthineHypoxanthineME461031-C00262-137.0456
L-alanineAlanineME461005-C00041-90.0555
L-arginineArginineME461006-C00062-175.1187
L-asparagineAsparagineME461007-C00152-133.0607
L-aspartateAspartic acidME461008-C00049-134.0447
L-CitrullineCitrullineME461040-C00327-176.1026
L-cysteineCysteineME461009-C00097-122.0271
L-glutamateGlutamic acidME461010-C00025-148.0601
L-glutamineGlutamineME461011-C00064-147.0762
L-leucineLeucineME461013-C00123-132.1017
L-lysineLysineME461014-C00047-147.1126
L-methionineMethionineME461015-C00073-150.0581
L-Methionine S-oxideMethionine sulfoxideME461050-C02989-166.0528
L-NoradrenalineNorepinephrineME461062-C00547-170.0809
L-phenylalaninePhenylalanineME461016-C00079-166.0860
L-prolineProlineME461017-C00148-116.0708
L-serineSerineME461018-C00065-106.0503
L-threonineThreonineME461019-C00188-120.0656
L-tryptophanTryptophanME461020-C00078-205.0967
L-tyrosineTyrosineME461021-C00082-182.0809
L-valineValineME461022-C00183-118.0864
N6-Methyl-L-lysineN(6)-MethyllysineME461060-C02728-161.1281
NAD+NADME461034-C00003-664.1138
NicotinamideNiacinamideME461033-C00153-123.0553
PantothenolPantothenolME461048-C00864-220.1173
PhosphocreatinePhosphocreatineME461044-C02305-212.0425
Picolinic acidPicolinic acidME461053-C10164-124.0394
PutrescinePutrescineME461041-C00134-89.1079
S-Adenosyl-L-methionineS-AdenosylmethionineME461039-C00019-399.1429
SpermidineSpermidineME461042-C00315-146.1650
SpermineSpermineME461043-C00750-203.2226
TaurineTaurineME461049-C00245-126.0220
ThymineThymineME461030-C00178-127.0502
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME461047-C01157-132.0654
TriacanthineTriacanthineME461056-C08435-204.1225


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
1-4-beta-D-Xylan-ME461090-C02352-131.0337
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME461083-C02630-147.0286
2-Methyleneglutarate-ME461095-C02930-143.0336
2-OxoadipateOxoadipic acidME461092-C00322-159.0289
3',5'-Cyclic IMP3',5' cyclic IMPME461067-C00943-329.0299
9-Oxononanoic acid9-Oxo-nonanoic acidME461097-C16322-171.1015
alpha-D-Ribose 1-phosphateRibose 1-phosphateME461085-C00620-229.0110
AscorbateVitamin CME461087-C00072-175.0242
CitrateCitric acidME461077-C00158-191.0187
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME461072-C00354-338.9883
D-glucono-1,5-lactoneGluconolactoneME461096-C00198-177.0397
D-GlucoseGlucoseME461070-C00031-179.0552
D-Glucose 6-phosphateGlucose 6-phosphateME461071-C00092-259.0215
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME461073-C00118-168.9886
DiphosphatePyrophosphateME461069-C00013-176.9346
Ethanolamine phosphatePhosphoethanolamineME461094-C00346-140.0103
FumarateFumaric acidME461079-C00122-115.0023
GlutathioneGlutathioneME461086-C00051-306.0761
Glycerol 3-phosphatesn-Glycero-3-phosphateME461093-C00093-171.0054
ItaconateItaconic acidME461082-C00490-129.0177
LactateLactic acidME461075-C01432-89.0228
MalateMalic acidME461080-C00149-133.0128
MaltoseMaltoseME461076-C00208-341.1084
N-formyl kynurenineN-Formyl-L-kynurenineME461091-C02700-235.0750
N-Glycoloyl-neuraminateN-Glycolylneuraminic acidME461089-C03410-324.0929
OrnithineOrnithineME461088-C01602-131.0811
OxaloacetateOxaloacetic acidME461081-C00036-131.0003
PhosphatePhosphoric acidME461068-C00009-96.9680
PyruvatePyruvic acidME461074-C00022-87.0071
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME461084-C06222-289.0324
SuccinateSuccinic acidME461078-C00042-117.0178
UracilUracilME461065-C00106-111.0185
UrateUric acidME461066-C00366-167.0196
UTPUTPME461064-C00075-482.9600


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