Return to study ST001902 main page

Analysis: Normal phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Methylpropanoyl-CoA M13Isobutyryl-CoAME436582-C0063022851.2079
2-Methylpropanoyl-CoA M18Isobutyryl-CoAME436583-C0063022856.2247
2-Methylpropanoyl-CoA M19Isobutyryl-CoAME436584-C0063022857.228
2-Methylpropanoyl-CoA M2Isobutyryl-CoAME436585-C0063022840.1711
2-Methylpropanoyl-CoA M4Isobutyryl-CoAME436586-C0063022842.1778
5'-Methyladenosine M0-ME436556-C001703.2298.0968
5'-Methyladenosine M1-ME436557-C001703.2299.1002
5'-Methyladenosine M2-ME436558-C001703.2300.1035
5'-Methyladenosine M4-ME436559-C001703.2302.1102
5'-Methyladenosine M5-ME436560-C001703.2303.1136
5'-Methyladenosine M6-ME436561-C001703.2304.1169
Acetyl-CoA M0Acetyl-CoAME436587-C0002422810.1331
Acetyl-CoA M1Acetyl-CoAME436588-C0002422811.1364
Acetyl-CoA M2Acetyl-CoAME436589-C0002422812.1398
Acetyl-CoA M3Acetyl-CoAME436590-C0002422813.1431
Acetyl-CoA M4Acetyl-CoAME436591-C0002422814.1465
Acetyl-CoA M5Acetyl-CoAME436592-C0002422815.1498
Acetyl-CoA M6Acetyl-CoAME436593-C0002422816.1532
Acetyl-CoA M7Acetyl-CoAME436594-C0002422817.1565
Acetyl-CoA M8Acetyl-CoAME436595-C0002422818.1599
Adenine M0AdenineME436639-C001475.4136.0618
Alanine StdAlanineME436630-C00041794.062
A M0AlanineME436632-C002124268.104
A M1AlanineME436633-C002124269.1074
A M2AlanineME436634-C002124270.1107
A M3AlanineME436635-C002124271.1141
A M4AlanineME436636-C002124272.1174
A M5AlanineME436637-C002124273.1208
A M6AlanineME436638-C002124274.1241
Arginine StdArginineME436562-C000629185.1272
Citrulline M0CitrullineME436646-C003278.7176.103
CoA M0Coenzyme AME436596-C0001021.8768.1225
CoA M1Coenzyme AME436597-C0001021.8769.1258
CoA M2Coenzyme AME436598-C0001021.8770.1292
CoA M4Coenzyme AME436599-C0001021.8772.1359
CoA M5Coenzyme AME436600-C0001021.8773.1392
CoA M6Coenzyme AME436601-C0001021.8774.1426
Creatine M0CreatineME436608-C003007132.0768
Creatine M1CreatineME436609-C003007133.0801
Creatinine M0CreatinineME436610-C003003.9114.0662
Creatinine M1CreatinineME436611-C003003.9115.0695
dA M0DeoxyadenosineME436622-C005593.7252.1086
dG M0DeoxyguanosineME436623-C003304268.1035
dG M1DeoxyguanosineME436624-C003304269.1069
dG M2DeoxyguanosineME436625-C003304270.1102
dG M3DeoxyguanosineME436626-C003304271.1136
dG M4DeoxyguanosineME436627-C003304272.1169
dG M5DeoxyguanosineME436628-C003304273.1203
dG M6DeoxyguanosineME436629-C003304274.1236
Dimethylglycine M0DimethylglycineME436563-C010264.5104.0706
Glycine StdGlycineME436631-C000378.779.043
G M0GlycineME436640-C003877.7284.099
G M5GlycineME436641-C003877.7289.1157
GSSG M0Oxidized glutathioneME436612-C0012717613.1592
GSSG M1Oxidized glutathioneME436613-C0012717614.1626
GSSG M2Oxidized glutathioneME436614-C0012717615.1659
GSSG M3Oxidized glutathioneME436615-C0012717616.1693
GSSG M4Oxidized glutathioneME436616-C0012717617.1726
GSSG M5Oxidized glutathioneME436617-C0012717618.176
GSSG M6Oxidized glutathioneME436618-C0012717619.1793
HistidineHistidineME436564-C001358.8156.0768
Histidine StdHistidineME436565-C001358.8165.0879
HMG-CoA M53-Hydroxy-3-methylglutaryl-CoAME436602-C0035622.5917.1815
Hydroxyproline M0HydroxyprolineME436566-C011577.2132.0655
Hydroxyproline M1HydroxyprolineME436567-C011577.2133.0689
Hypoxanthine M0HypoxanthineME436645-C002628.3137.0458
Inosine M0InosineME436642-C002948.6269.0881
Inosine M5InosineME436643-C002948.6274.1048
Leucine-Isoleucine StdLeucine/IsoleucineME436568-C001236139.119
Lysine StdLysineME436569-C000479.5155.127
Methionine M0MethionineME436570-C000736.7150.0583
Methionine M1MethionineME436571-C000736.7151.0617
Methionine M4MethionineME436572-C000736.7154.0717
Methionine M5MethionineME436573-C000736.7155.0751
Methionine StdMethionineME436574-C000736.7156.0721
NicotinamideNiacinamideME436619-C001532.8123.0553
Phenylalanine StdPhenylalanineME436575-C000796.5176.1134
Phosphocreatine M0PhosphocreatineME436620-C0230516.1212.0431
Phosphocreatine M1PhosphocreatineME436621-C0230516.1213.0464
Pipecolate M0Pipecolic acidME436576-C004089.8130.0863
Propanoyl-CoA M0Propionyl-CoAME436603-C0010021.5824.1487
Propanoyl-CoA M1Propionyl-CoAME436604-C0010021.5825.1521
Propanoyl-CoA M19Propionyl-CoAME436605-C0010021.5843.2124
Propanoyl-CoA M5Propionyl-CoAME436606-C0010021.5829.1655
Propanoyl-CoA M6Propionyl-CoAME436607-C0010021.5830.1688
Sarcosine M0SarcosineME436577-C00213890.055
Threonine StdThreonineME436578-C001888.2125.076
TyramineTyramineME436579-C004832.6138.0913
Tyrosine StdTyrosineME436580-C000828192.1084
U M223-Nordeoxycholic acidME436644-C002994.9247.0835
Valine StdValineME436581-C001836.3124.1


Analysis: Normal phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-HG M02-Hydroxyglutaric acidME436748-C0263015.5147.0299
2-HG M12-Hydroxyglutaric acidME436749-C0263015.5148.0333
2-HG M22-Hydroxyglutaric acidME436750-C0263015.5149.0366
2-Oxoadipate M0Oxoadipic acidME436647-C0032216.2159.0299
5-Oxoproline M0Pyroglutamic acidME436648-C018799.8128.0353
5-Oxoproline M1Pyroglutamic acidME436649-C018799.8129.0387
5-Oxoproline M2Pyroglutamic acidME436650-C018799.8130.042
5-Oxoproline M3Pyroglutamic acidME436651-C018799.8131.0454
5-Oxoproline M4Pyroglutamic acidME436652-C018799.8132.0487
5-Oxoproline M5Pyroglutamic acidME436653-C018799.8133.0521
Aconitic acid M0cis-Aconitic acidME436751-C0041719173.0092
Aconitic acid M1cis-Aconitic acidME436752-C0041719174.0125
Aconitic acid M2cis-Aconitic acidME436753-C0041719175.0159
Aconitic acid M3cis-Aconitic acidME436754-C0041719176.0192
ATP M7ATPME436658-C0000223513.0119
CDP M0CDPME436705-C0011219.1402.0109
CDP M5CDPME436706-C0011219.1407.0277
CMP M0CMPME436707-C0005516.3322.0446
CTP M0CTPME436708-C0006321.5481.9772
CTP M5CTPME436709-C0006321.5486.994
dCMP M0dCMPME436660-C0023917306.0497
dCMP M1dCMPME436661-C0023917307.053
dCMP M2dCMPME436662-C0023917308.0564
dTMP M2dTMPME436663-C0036416.5323.056
dTMP M3dTMPME436664-C0036416.5324.0594
dTMP M4dTMPME436665-C0036416.5325.0627
dU M0DeoxyuridineME436666-C005263.9227.0673
dU M4DeoxyuridineME436667-C005263.9231.0807
GDP M0GDPME436710-C0003521442.0171
GDP M4GDPME436711-C0003521446.0305
GDP M5GDPME436712-C0003521447.0338
GlcNAc-6-phosphate M7N-Acetyl-glucosamine 6-phosphateME436690-C0035716.2307.0724
GlcNAc-6-phosphate M8N-Acetyl-glucosamine 6-phosphateME436691-C0035715.5308.0758
Glucuronic Acid M3Glucuronic acidME436692-C0019113196.0454
Glucuronic Acid M4Glucuronic acidME436693-C0019113197.0488
Glucuronic Acid M5Glucuronic acidME436694-C0019113198.0521
Glucuronic Acid M6Glucuronic acidME436695-C0019113199.0555
Glutamate StdGlutamic acidME436755-C0002513.5152.0597
GMP M0GMPME436713-C0014417.5362.0507
GMP M5GMPME436714-C0014417.5367.0675
GTP M0GTPME436715-C0004425521.9834
GTP M5GTPME436716-C0004425527.0001
Hexose phosphate M0Hexose 6-phosphateME436669-C0008516259.0224
Hexose phosphate M5Hexose 6-phosphateME436670-C0008516264.0392
Hexose phosphate M6Hexose 6-phosphateME436671-C0008516265.0425
Homocysteine M0HomocysteineME436654-C001557.9135.0315
IMP M0IMPME436735-C0013018347.0398
IMP M5IMPME436736-C0013018352.0566
InositolInositolME436672-C001376.4179.0561
NADP+NADP+ME436659-C0000618.3742.0682
NorvalineNorvalineME436655-C017997.1116.0717
Orotidine M5OrotidineME436656-X0000613292.0688
Orotidine M8OrotidineME436657-X0000613295.0789
Pantothenic acid (Vitamin B5)Pantothenic acidME436756-C0086410.2218.1034
PhosphatePhosphoric acidME436757-C0000916.896.9696
Phosphoethanolamine M0PhosphoethanolamineME436668-C0034614140.0118
PRPP M0Phosphoribosyl pyrophosphateME436737-C0011924388.9445
PRPP M5Phosphoribosyl pyrophosphateME436738-C0011924393.9613
PyrophosphatePyrophosphateME436758-C0001323176.936
Pyruvate M0Pyruvic acidME436673-C00022787.0088
Serine StdSerineME436674-C000659.3108.0424
Sorbitol M0SorbitolME436675-C007945.5181.0718
Sorbitol M6SorbitolME436676-C007945.5187.0919
Thiosulfate-ME436759-C0032017112.9373
Thymine M0ThymineME436718-C001783.2125.0357
T M0ThreonineME436717-C002143.5241.083
UDP-GlcNAc M10UDP-N-acetylglucosamineME436696-C0004316.3616.1078
UDP-GlcNAc M11UDP-N-acetylglucosamineME436697-C0004316.3617.1111
UDP-GlcNAc M12UDP-N-acetylglucosamineME436698-C0004316.3618.1145
UDP-GlcNAc M13UDP-N-acetylglucosamineME436699-C0004316.3619.1178
UDP-GlcNAc M14UDP-N-acetylglucosamineME436700-C0004316.3620.1212
UDP-GlcNAc M15UDP-N-acetylglucosamineME436701-C0004316.3621.1245
UDP-GlcNAc M7UDP-N-acetylglucosamineME436702-C0004316.3613.0977
UDP-GlcNAc M8UDP-N-acetylglucosamineME436703-C0004316.3614.1011
UDP-GlcNAc M9UDP-N-acetylglucosamineME436704-C0004316.3615.1044
UDP-Glucose M0UDP-glucoseME436677-C0002916.6565.0477
UDP-Glucose M10UDP-glucoseME436678-C0002916.6575.0812
UDP-Glucose M11UDP-glucoseME436679-C0002916.6576.0846
UDP-Glucose M12UDP-glucoseME436680-C0002916.6577.0879
UDP-Glucose M13UDP-glucoseME436681-C0002916.6578.0913
UDP-Glucose M14UDP-glucoseME436682-C0002916.6579.0946
UDP-Glucose M3UDP-glucoseME436683-C0002916.6568.0578
UDP-Glucose M4UDP-glucoseME436684-C0002916.6569.0611
UDP-Glucose M5UDP-glucoseME436685-C0002916.6570.0645
UDP-Glucose M6UDP-glucoseME436686-C0002916.6571.0678
UDP-Glucose M7UDP-glucoseME436687-C0002916.6572.0712
UDP-Glucose M8UDP-glucoseME436688-C0002916.6573.0745
UDP-Glucose M9UDP-glucoseME436689-C0002916.6574.0779
UDP M0UDPME436719-C0001519.5402.9949
UDP M1UDPME436720-C0001519.5403.9983
UDP M2UDPME436721-C0001519.5405.0016
UDP M4UDPME436722-C0001519.5407.0083
UDP M5UDPME436723-C0001519.5408.0117
UDP M6UDPME436724-C0001519.5409.015
UDP M7UDPME436725-C0001519.5410.0184
UDP M8UDPME436726-C0001519.5411.0217
UMP M0UMPME436739-C0010516.5323.0286
UMP M5UMPME436740-C0010516.5328.0453
UMP M6UMPME436741-C0010516.5329.0487
UMP M7UMPME436742-C0010516.5330.052
Uracil M0UracilME436743-C001063.75111.02
Uracil M1UracilME436744-C001063.75112.0234
Uracil M2UracilME436745-C001063.75113.0267
Uracil M3UracilME436746-C001063.75114.0301
UTP M0UTPME436727-C0007522.5482.9613
UTP M1UTPME436728-C0007522.5483.9646
UTP M2UTPME436729-C0007522.5484.968
UTP M4UTPME436730-C0007522.5486.9747
UTP M5UTPME436731-C0007522.5487.978
UTP M6UTPME436732-C0007522.5488.9814
UTP M7UTPME436733-C0007522.5489.9847
UTP M8UTPME436734-C0007522.5490.9881
Xanthine M0XanthineME436747-C0038511.5151.0262


  logo