Clustering data with hclust algorithm for Validation of the application of targeted metabolomic appraoch in the diagnosis of CFS (Study ST000617)

HILIC NEGATIVE ION MODE (Analysis AN000946)
MetaboliteStructureF1F2
Eicosapentaenoic acidME1731711.170.81
Pantothenic acidME1732201.180.80
Plasmalogen(p18:0/22:6)ME1732491.090.90
Docosahexaenoic acidME1731701.090.90
PE(36:2)ME1732261.090.90
CL(18:2/18:2/18:2/18:2)ME1731621.070.92
S-AdenosylhomocysteineME1732591.080.91
PE(36:3)ME1732271.080.91
Kynurenic acidME1731931.080.91
CL(18:2/18:2/18:2/18:1)ME1731611.080.91
Hippuric acidME1731831.080.91
CL(18:2/18:2/18:1/18:1)ME1731591.120.86
Taurocholic acidME1733011.110.88
PI(36:2)ME1732401.110.88
ArginineME1731481.110.88
PE (18:0/18:0)ME1732211.110.88
PhenylacetylglutamineME1732301.100.88
Lipoic acidME1731971.100.89
3-Phosphoglyceric acidME1731331.100.89
13S-hydroxyoctadecadienoic acidME1731211.100.89
3-methylphenylacetic acidME1731321.100.89
PG(34:1)ME1732290.981.03
Orotic acidME1732100.981.03
N-Acetyl-L-aspartic acidME1732060.981.03
2-Ketohexanoic acidME1731280.981.03
Indoxyl sulfateME1731870.981.03
Ureidosuccinic acidME1733040.981.02
SM(d18:1/26:2)ME1732960.981.02
Plasmalogen(20:4/p18:0)ME1732460.981.02
PI(36:0)ME1732380.981.02
Octulose-monophosphateME1732080.981.02
KetoleucineME1731920.981.02
Citric acidME1731550.981.02
Cholesteryl sulfateME1731520.981.02
Adipic acidME1731410.981.02
Androsterone sulfateME1731460.981.02
Uric acidME1733050.971.03
SM(d18:1/20:1 OH)ME1732760.971.03
SM(d18:1/18:0 OH)ME1732680.971.03
N-acetylserineME1732070.971.03
GlucoseME1731820.971.03
GluconolactoneME1731740.971.03
Citramalic acidME1731540.971.03
CitrullineME1731560.971.03
Phenyllactic acidME1732310.971.04
Isocitric acidME1731890.971.04
Malic acidME1732000.971.04
4-Hydroxybenzoic acidME1731341.000.99
Hexacosanoic acidME1731811.010.99
Gluconic acidME1731731.010.99
Acetic acidME1731381.010.99
4-Hydroxyphenylpyruvic acidME1731361.010.99
20-Hydroxyeicosatetraenoic acidME1731231.010.99
2,3-Diphosphoglyceric acidME1731221.010.99
2-Ketobutyric acidME1731270.991.02
PseudouridineME1732540.991.02
SM(d18:1/26:1 OH)ME1732930.991.01
SM(d18:1/26:0)ME1732920.991.01
SM (d18:1/24:2)ME1732610.991.01
SM(d18:1/20:0 OH)ME1732740.991.01
SM(d18:1/16:2)ME1732670.991.01
Quinolinic AcidME1732570.991.01
PI(40:5)ME1732450.991.01
p-Hydroxyphenylacetic acidME1732320.991.01
PA(16:0/16:1)ME1732130.991.01
Methylsuccinic AcidME1732030.991.01
Homovanillic acidME1731840.991.01
D-Ribose 5-phosphateME1732580.991.01
CL(18:2/18:2/18:2/16:1)ME1731600.991.01
CL(18:2/18:2/16:1/16:1)ME1731580.991.01
Acetoacetic acidME1731390.991.01
Benzoic acidME1731490.991.01
Sphingosine 1-phosphateME1732971.001.00
SM(d18:1/16:2 OH)ME1732661.001.00
Shikimate 3-phosphateME1732601.001.00
Pyruvic acidME1732561.001.00
PI(36:1)ME1732391.001.00
PE(34:2)ME1732241.001.00
Allantoic acidME1731431.001.00
Linoleic acidME1731961.001.00
D-Glyceraldehyde 3-phosphateME1731691.001.01
SM(d18:1/24:0 OH)ME1732861.001.01
Taurodeoxycholic acidME1733021.020.98
SM(d18:1/26:2 OH)ME1732951.020.98
IsovalerylglycineME1731901.020.98
Gamma glutamyl-AlanineME1731721.020.98
2-Keto-L-gluconateME1731291.020.98
Aminoadipic acidME1731451.020.98
Glyoxylic acidME1731791.020.97
Plasmalogen(p16:0/20:4)ME1732481.020.97
Chenodeoxyglycocholic acidME1731511.030.96
L-Aspartic acidME1731941.030.96
UracilME1733031.030.97
PI(34:2)ME1732371.030.97
PA(18:0/16:1)ME1732161.030.97
PA(16:1/18:1)ME1732151.030.97
PA(16:1/16:1)ME1732141.030.97
Glycerol 3-phosphateME1731771.030.97
InosineME1731881.030.97
p-Aminobenzoic acidME1732191.040.96
PA(18:1/18:1)ME1732181.040.96
Malonic acidME1732011.040.96
PA(18:0/18:1)ME1732171.040.96
AICARME1731421.050.95
cis-aconitic acidME1731531.040.95
CL(18:2/18:2/18:2/22:6)ME1731641.040.95
SM(d18:1/16:1)ME1732651.050.94
Plasmalogen(22:6/p16:0)ME1732471.050.94
PI(32:2)ME1732341.050.94
N-Acetylglutamic acidME1732051.050.94
Glycocholic acidME1731781.050.94
CL(18:2/18:1/18:1/20:4)ME1731571.050.94
Glyceric acidME1731751.050.94
L-ThreonineME1731991.060.94
Oleic acidME1732091.060.93
CL(18:2/18:2/18:2/20:4)ME1731630.941.06
SM(d18:1/22:2)ME1732840.941.06
PI(38:5)ME1732440.951.06
Dehydroascorbic acidME1731650.951.06
PE(36:1)ME1732250.951.06
SM(d18:1/18:1 OH)ME1732700.951.05
PS(36:2)ME1732530.951.05
PE(20:4/18:1)ME1732220.951.05
GlycerolME1731760.951.05
L-CystineME1731950.951.05
Suberic AcidME1732980.961.04
Methylmalonic acidME1732020.961.04
2-HydroxyglutarateME1731250.961.04
Adenosine diphosphateME1731400.961.04
SM(d18:1/22:1)ME1732820.961.05
SM(d18:1/22:0 OH)ME1732800.961.05
SM(d18:1/20:0)ME1732750.961.05
PE(34:1)ME1732230.961.05
Itaconic acidME1731910.961.05
Alpha-ketoisovaleric acidME1731440.961.05
DeoxyguanosineME1731680.961.05
TaurineME1733000.931.08
Succinic acidME1732990.931.08
SM(d18:1/20:2 OH)ME1732780.931.08
SM(d18:1/20:2)ME1732790.931.08
SM(d18:1/18:2)ME1732730.931.08
PI(34:1)ME1732360.931.08
PI(38:3)ME1732420.931.08
PI(16:0/16:0)ME1732330.931.07
PI(38:4)ME1732430.941.07
SM(d18:1/26:1)ME1732940.941.07
PI(34:0)ME1732350.911.10
Oxaloacetic acidME1732110.911.10
MyoinositolME1732040.911.10
HypoxanthineME1731860.911.10
L-Lactic acidME1731980.911.10
12-HETEME1731200.921.08
PE(36:4)ME1732280.921.08
UridineME1733060.921.09
SM(d18:1/25:0) or SM(d18:1/24:1 OH)ME1732900.921.09
SM(d18:1/24:0)ME1732870.921.09
SM(d18:1/23:0) or SM(d18:1/22:1 OH)ME1732850.921.09
2-Methylcitric acidME1731300.921.09
2-Pyrocatechuic acidME1731310.921.09
2-Hydroxy-3-methylbutyric acidME1731240.841.17
PS(18:0/20:4)ME1732510.841.17
Deoxycholic acidME1731670.851.17
SM(d18:1/16:0)ME1732630.851.17
Arachidonic AcidME1731470.891.13
PI(36:4)ME1732410.891.13
SM(d18:1/26:0 OH)ME1732910.891.12
SM(d18:1/18:1)ME1732710.891.12
SM(d18:1/24:2 OH)ME1732890.891.12
SM(d18:1/24:1)ME1732880.901.11
Hydroxyisocaproic acidME1731850.901.11
SM(d18:1/18:2 OH)ME1732720.901.11
Pyroglutamic acidME1732550.901.12
XanthosineME1733080.901.12
4-Hydroxyphenyllactic acidME1731350.871.15
XanthineME1733070.861.15
PA(16:0/16:0)ME1732120.861.15
PS(18:0/18:1)ME1732500.861.15
SM(d18:1/16:1 OH)ME1732640.871.14
PS(36:0)ME1732520.871.14
SM(d18:1/16:0 OH)ME1732620.871.14
SM(d18:1/22:0)ME1732810.881.13
SM(d18:1/20:1)ME1732770.881.13
Dehydroepiandrosterone sulfateME1731660.881.13
GuanosineME1731800.881.13
SM(d18:1/18:0)ME1732690.881.14
SM(d18:1/22:2 OH)ME1732830.881.14
4-Pyridoxic acidME1731371.450.50
2-Isopropylmalic acidME1731261.240.73
Chenodeoxycholic acidME1731501.290.68

Factors:

F1Treatment:CFS
F2Treatment:Control
Data matrix
  logo