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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
3',5'-Cyclic IMP3',5' cyclic IMPME461123-C00943-331.0447
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME461128-C03232-184.9855
4-Acetamidobutanoate4-Acetamidobutanoic acidME461136-C02946-146.0812
5-OxoprolinePyroglutamic acidME461126-C01879-130.0500
6-Lactoyl-5-6-7-8-tetrahydropterin6-LactoyltetrahydropterinME461145-C04244-240.1090
AcetylcholineAcetylcholineME461142-C01996-146.1175
AdenineAdenineME461113-C00147-136.0618
AdenosineAdenosineME461112-C00212-268.1039
CholineCholineME461143-C00114-104.1075
CreatineCreatineME461135-C00300-132.0769
CytosineCytosineME461116-C00380-112.0509
D-GlucosamineGlucosamineME461134-C00329-180.0866
Fe(III)dicitrate-ME461146-C06229-245.9450
Glutathione disulfideOxidized glutathioneME461125-C00127-613.1587
glycineGlycineME461102-C00037-76.0402
GuanineGuanineME461115-C00242-152.0567
GuanosineGuanosineME461114-C00387-284.0988
HypoxanthineHypoxanthineME461121-C00262-137.0459
InosineInosineME461120-C00294-269.0879
L-arginineArginineME461098-C00062-175.1190
L-CitrullineCitrullineME461130-C00327-176.1029
L-cysteineCysteineME461099-C00097-122.0272
L-glutamateGlutamic acidME461100-C00025-148.0604
L-glutamineGlutamineME461101-C00064-147.0764
L-leucineLeucineME461103-C00123-132.1020
L-lysineLysineME461104-C00047-147.1128
L-methionineMethionineME461105-C00073-150.0584
L-Methionine S-oxideMethionine sulfoxideME461139-C02989-166.0533
L-NoradrenalineNorepinephrineME461148-C00547-170.0811
L-phenylalaninePhenylalanineME461106-C00079-166.0864
L-prolineProlineME461107-C00148-116.0710
L-threonineThreonineME461108-C00188-120.0658
L-tryptophanTryptophanME461109-C00078-205.0972
L-tyrosineTyrosineME461110-C00082-182.0813
L-valineValineME461111-C00183-118.0866
NicotinamideNiacinamideME461124-C00153-123.0555
OrnithineOrnithineME461129-C01602-133.0972
PantothenolPantothenolME461138-C00864-220.1180
PhosphoserinePhosphoserineME461127-C02532-186.0186
Picolinic acidPicolinic acidME461140-C10164-124.0395
PutrescinePutrescineME461131-C00134-89.1080
PyridoxaminePyridoxamineME461147-C00534-169.0961
SpermidineSpermidineME461132-C00315-146.1652
SpermineSpermineME461133-C00750-203.2230
SphingosineSphingosineME461141-C00319-300.2896
ThymidineThymidineME461117-C00214-243.0991
ThymineThymineME461118-C00178-127.0504
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME461137-C01157-132.0656
TriacanthineTriacanthineME461144-C08435-204.1231
UracilUracilME461119-C00106-113.0361
XanthineXanthineME461122-C00385-153.0407


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-ME461180-C02352-131.0336
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME461161-C00631-184.9846
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME461173-C02630-147.0286
2-Methyleneglutarate-ME461192-C02930-143.0336
2-Oxoglutarate2-Oxoglutaric acidME461168-C00026-145.0130
6-CarboxyhexanoatePimelic acidME461197-C02656-159.0664
6-Pyruvoyltetrahydropterin-ME461193-C03684-236.0778
9-Oxononanoic acid9-Oxo-nonanoic acidME461196-C16322-171.1015
Acetyl phosphateAcetylphosphateME461191-C00227-138.9788
alpha-D-Ribose 1-phosphateRibose 1-phosphateME461175-C00620-229.0117
Anthranilate2-Aminobenzoic acidME461187-C00108-136.0390
AscorbateVitamin CME461177-C00072-175.0237
ATPATPME461149-C00002-505.9878
CitrateCitric acidME461167-C00158-191.0187
DehydroascorbateL-Dehydroascorbic acidME461178-C05422-173.0081
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME461159-C00354-338.9884
D-glucono-1,5-lactoneGluconolactoneME461194-C00198-177.0394
D-GlucoseGlucoseME461157-C00031-179.0551
D-Glucose 6-phosphateGlucose 6-phosphateME461158-C00092-259.0221
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME461160-C00118-168.9883
DiphosphatePyrophosphateME461156-C00013-176.9348
D-RhamnoseRhamnoseME461166-C01684-163.0614
D-RiboseRiboseME461165-C00121-149.0443
Ethanolamine phosphatePhosphoethanolamineME461189-C00346-140.0105
FumarateFumaric acidME461170-C00122-115.0022
Glucosinolate-ME461195-C17260-316.9841
GlutathioneGlutathioneME461176-C00051-306.0764
Glycerol 3-phosphatesn-Glycero-3-phosphateME461188-C00093-171.0056
GlycolateGlycolic acidME461182-C00160-75.0071
IDPIDPME461152-C00104-427.0070
Indole-3-acetaldehydeIndoleacetaldehydeME461186-C00637-158.0599
ItaconateItaconic acidME461172-C00490-129.0178
LactateLactic acidME461164-C01432-89.0228
L-CysteateCysteic acidME461185-C00506-167.9960
L-gamma-Glutamyl-L-hypoglycin-ME461179-C08280-269.1157
MalateMalic acidME461171-C00149-133.0128
PhosphatePhosphoric acidME461155-C00009-96.9680
PhosphocreatinePhosphocreatineME461183-C02305-210.0278
PhosphoenolpyruvatePhosphoenolpyruvic acidME461162-C00074-166.9740
PyridoxalPyridoxalME461153-C00250-166.0498
PyruvatePyruvic acidME461163-C00022-87.0071
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME461174-C06222-289.0328
Sphinganine 1-phosphateSphinganine 1-phosphateME461190-C01120-380.2551
SuccinateSuccinic acidME461169-C00042-117.0178
TaurineTaurineME461184-C00245-124.0059
UDPUDPME461151-C00015-402.9999
UDP-glucoseUDP-glucoseME461154-C00029-565.0474
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME461181-C00043-606.0742
UTPUTPME461150-C00075-482.9611


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