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

HILIC POSITIVE ION MODE (Analysis AN000947)
MetaboliteStructureF1F2
Ceramide(d18:1/16:0)ME1733540.791.23
THC 18:1/24:0ME1734940.791.24
Ceramide(d18:1/26:2)ME1733830.791.24
DHC(18:1/16:0)ME1733950.791.24
Ceramide(d18:1/16:1 OH)ME1733550.811.22
Adenosine monophosphateME1733360.811.21
Ceramide(d18:1/22:1)ME1733700.821.21
AdenosineME1733350.741.28
1,25-Dihydroxyvitamin D3ME1733090.751.27
Ceramide(d18:1/18:0)ME1733590.751.27
LathosterolME1734220.721.31
24,25-EpoxycholesterolME1733150.711.32
Ceramide(d18:1/24:2)ME1733780.701.33
GC(18:1/16:0)ME1734080.701.33
TestosteroneME1734911.140.84
Methionine sulfoxideME1734461.150.83
PC(22:6/P-18:0)ME1734691.150.84
BetaineME1733441.130.86
SarcosineME1734871.120.87
1-Pyrroline-5-carboxylic acidME1733131.160.82
Ceramide(d18:1/12:0)ME1733521.170.81
BMP(18:1/16:1)ME1733471.190.79
PC(20:5/P-16:0)ME1734681.180.80
HydroxyprolineME1734161.180.80
LysoPC(24:1)ME1734441.180.80
MethylcysteineME1734471.220.75
Trimethylamine-N-oxideME1734971.200.77
Ceramide(d18:1/24:0 OH)ME1733740.831.19
Ceramide(d18:1/24:1)ME1733760.831.19
2-OctenoylcarnitineME1733170.841.18
THC 18:1/22:0ME1734930.831.18
TiglylcarnitineME1734960.871.15
THC 18:1/16:0ME1734920.871.15
PS(34:1)ME1734820.871.15
Ceramide(d18:1/16:1)ME1733560.871.15
Ceramide(d18:1/16:2)ME1733570.871.15
Ceramide(d18:1/22:2)ME1733720.871.14
PC(16:0/16:0)ME1734600.871.14
Ceramide(d18:1/22:2 OH)ME1733710.861.16
Ceramide(d18:1/25:0)ME1733790.861.16
PC(30:0)ME1734710.851.17
PimelylcarnitineME1734790.851.17
GlycerophosphocholineME1734090.941.07
9-DecenoylcarnitineME1733320.931.07
Ceramide(d18:1/18:1 OH)ME1733600.931.07
BMP(18:1/16:0)ME1733460.921.08
SerotoninME1734880.931.08
MyristoylcarnitineME1734480.931.08
DopamineME1734040.931.08
Ceramide(d18:1/18:1)ME1733610.931.08
DecanoylcarnitineME1733930.931.08
PC(18:1/22:6)ME1734660.911.10
5,6-trans-25-Hydroxyvitamin D3ME1733270.911.09
PC(32:2)ME1734730.921.09
PC(16:0/20:4)ME1734630.921.09
Ceramide(d18:1/22:0 OH)ME1733680.921.09
LysoPC(16:0)ME1734420.921.09
FADME1734060.911.11
EthanolamineME1734050.901.11
DodecenoylcarnitineME1734030.901.11
Ceramide(d18:1/24:2 OH)ME1733770.901.11
Ceramide(d18:1/20:1)ME1733660.901.11
Ceramide(d18:1/18:0 OH)ME1733580.901.11
BMP(16:0/16:0)ME1733450.901.11
3-HydroxyhexadecanoylcarnitineME1733220.901.11
7-ketocholesterolME1733300.901.11
PC(32:1)ME1734720.891.12
3-HydroxydodecanoylcarnitineME1733210.891.12
Ceramide(d18:1/16:0 OH)ME1733530.891.12
L-PalmitoylcarnitineME1734350.881.13
DHC(18:1/24:1)ME1733980.881.13
Ceramide(d18:1/20:2)ME1733670.881.13
Arachidonyl carnitineME1733410.881.13
Ceramide(d18:1/20:0)ME1733640.881.13
7-DehydrocholesterolME1733291.070.93
PS(34:2)ME1734831.070.93
L-Glutamic acidME1734241.060.94
PC(36:0)ME1734741.060.93
2-ArachidonylglycerolME1733161.060.93
CholesterolME1733851.060.93
DHC(18:1/20:0)ME1733961.080.92
PC(40:6)ME1734771.080.91
PC(38:5)ME1734761.080.91
DimethylglycineME1733991.080.91
DesmosterolME1733941.080.91
5-MethylthioadenosineME1733281.080.91
BMP(18:1/18:2)ME1733491.080.91
3-HydroxylinoleylcarnitineME1733251.090.90
L-HomoserineME1734281.090.90
L-MethionineME1734341.100.89
L-SerineME1734381.100.89
UreaME1734980.991.01
O-acetylserineME1734540.991.01
MalonylcarnitineME1734450.991.01
LinoleylcarnitineME1734290.991.01
L-GlutamineME1734250.991.01
L-CarnitineME1734230.991.01
L-AcetylcarnitineME1734200.991.01
Ceramide(d18:1/26:0)ME1733810.991.01
1-MethyladenosineME1733100.991.01
AdipoylcarnitineME1733380.991.01
AdenineME1733340.991.02
CholineME1733860.991.02
PC(20:4/P-16:0)ME1734670.981.02
OctanoylcarnitineME1734560.981.02
L-PhenylalanineME1734360.981.02
L-GlutarylcarnitineME1734260.981.02
HistamineME1734130.981.02
CreatinineME1733890.981.02
CarnosineME1733510.981.02
3-Hydroxyisovaleryl CarnitineME1733240.981.02
AspartylglycosamineME1733420.981.02
SuberylcarnitineME1734900.981.03
Imidazoleacetic acidME1734180.981.03
L-TryptophanME1734390.981.03
PurineME1734840.971.03
PalmitoylethanolamideME1734590.971.03
Ceramide(d18:1/24:0)ME1733750.971.03
OctadecanoylcarnitineME1734550.971.03
PhosphorylcholineME1734780.961.04
24,25-DihydrolanosterolME1733140.961.04
Ceramide(d18:1/18:2)ME1733620.961.04
CytosineME1733920.971.04
3-Hydroxy-cis-5-tetradecenoylcarnitineME1733200.971.04
Ceramide(d18:1/26:0 OH)ME1733800.971.04
LysoPC(18:0)ME1734430.951.05
PropionylcarnitineME1734810.961.05
Ceramide(d18:1/20:1 OH)ME1733650.961.05
3-HydroxyhexadecenoylcarnitineME1733230.961.05
ButyrylcarnitineME1733500.961.05
Ceramide(d18:1/22:0)ME1733690.951.06
DodecanoylcarnitineME1734020.941.06
OleoylcarnitineME1734571.001.00
N-alpha-AcetylarginineME1734501.001.00
L-LysineME1734331.001.00
Gamma-Aminobutyric acidME1734071.001.00
Dimethyl-L-arginineME1734001.001.00
7-methylguanineME1733311.001.00
9-HexadecenoylcarnitineME1733331.001.00
ZymosterolME1735021.010.99
Vitamin D3ME1735001.010.99
SpermineME1734891.010.99
PC(24:0/P-18:0)ME1734701.010.99
PC(16:0/18:2)ME1734621.010.99
PC(16:0/18:1)ME1734611.010.99
L-ProlineME1734371.010.99
L-leucineME1734321.010.99
L-isoleucineME1734301.010.99
L-HistidineME1734271.010.99
HypotaurineME1734171.010.99
HomocysteineME1734151.010.99
GlycylprolineME1734111.010.99
CysteamineME1733901.010.99
CholestenoneME1733841.010.99
3-HydroxyoleoylcarnitineME1733261.010.99
Ceramide(d18:1/26:1)ME1733821.010.99
Ceramide(d18:1/23:0) or Ceramide(d18:1/22:1 OH)ME1733731.000.99
SaccharopineME1734861.000.99
PC(36:1)ME1734751.020.98
L-ValineME1734411.020.98
HexanoylcarnitineME1734121.020.98
DHC(18:1/22:0)ME1733971.020.98
BMP(18:1/18:1)ME1733481.020.98
CreatineME1733881.020.98
PC(18:0/18:2)ME1734651.010.98
L-KynurenineME1734311.010.98
L-TyrosineME1734401.010.98
GlycineME1734101.020.97
Vitamin K2ME1735011.030.97
IsovalerylcarnitineME1734191.030.97
3, 5-TetradecadiencarnitineME1733181.030.97
Alpha-TocopherolME1733401.030.97
3-Aminoisobutyric acidME1733191.030.96
Pipecolic acidME1734801.040.96
PC(16:0/22:6)ME1734641.040.96
N-AcetylornithineME1734491.040.96
1-MethylhistidineME1733111.040.96
AlanineME1733391.040.96
HomoarginineME1734141.050.94
N-oleoylethanolamineME1734531.040.95
beta-AlanineME1733431.040.95
Ceramide(d18:1/20:0 OH)ME1733631.040.95
Ureidopropionic acidME1734991.050.95
OrnithineME1734581.050.95
L-AsparagineME1734211.050.95
CortisolME1733871.050.95
CytidineME1733911.050.95
DL-2-Aminooctanoic acidME1734011.810.10
Nicotinamide N-oxideME1734521.690.23
NiacinamideME1734511.730.19
ThiamineME1734951.730.19
1-MethylnicotinamideME1733121.540.40
Adenosine triphosphateME1733371.380.58
RiboflavinME1734851.430.52

Factors:

F1Treatment:CFS
F2Treatment:Control
Data matrix
  logo