Clustering data with hclust algorithm for (Study ST002687)

(Analysis AN004360)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14
diethylphthalateME6353380.270.210.340.390.050.050.290.250.350.300.270.248.5010.07
glycocholateME6354031.020.390.960.730.280.231.096.600.640.280.890.140.650.85
alpha-tocopherolME6354012.040.600.700.370.191.851.170.491.310.571.700.652.051.07
Ile-ProME6353390.440.451.361.020.050.061.731.891.451.591.151.181.170.07
Leu-ProME6353400.380.441.441.010.060.051.691.931.431.641.141.091.190.07
oleamideME6353640.830.532.111.191.650.810.560.900.310.531.100.671.090.72
DG(34:1)ME6354231.260.641.261.102.501.470.960.451.060.460.680.600.580.41
DG(36:3)ME6354241.190.641.270.742.052.410.910.660.980.500.890.960.661.24
PC(30:0)ME6354290.670.920.900.472.241.930.831.070.820.940.661.000.731.16
SM(d34:2)ME6354280.830.961.010.572.141.820.790.960.790.910.610.990.621.24
SM(d36:2)ME6354310.690.830.810.442.522.430.781.020.770.880.610.880.691.00
FA(18:1)ME6353651.100.690.830.562.552.070.810.700.870.910.800.790.790.75
FA(18:2)ME6353630.940.790.830.512.321.960.810.840.890.960.840.920.870.84
cytidineME6353442.100.790.840.861.251.590.840.630.890.620.990.730.881.27
hippurateME6353281.930.630.881.091.162.010.690.280.820.621.030.661.030.60
lysineME6353221.370.921.030.571.250.861.370.841.320.871.190.811.390.96
PC(34:2)ME6354391.281.100.940.611.271.011.401.161.391.261.321.141.361.03
SM(d35:1)ME6354301.310.920.730.461.801.401.070.831.280.951.160.871.210.84
benzylbutylphthalateME6353760.971.040.960.791.730.901.211.150.931.061.020.901.161.14
LPC(20:0)_rp_aME6354191.410.791.120.641.451.021.020.731.170.921.040.901.031.41
PC(32:0)ME6354351.040.871.030.561.441.291.100.951.160.950.981.011.051.03
DG(34:2)ME6354221.260.681.060.831.911.520.960.681.080.620.780.920.711.02
LPC(15:0)_rp_aME6354061.320.910.910.901.950.890.880.870.880.830.960.990.861.58
PC(32:1)ME6354341.611.190.910.591.811.230.950.770.990.610.960.931.011.21
MG(14:0)_rp_aME6353730.880.810.751.761.610.890.950.730.690.621.160.631.000.97
glucoseME6353290.750.780.611.181.301.770.740.890.780.780.800.960.961.57
MG(16:0)ME6353800.820.680.851.771.661.660.850.960.530.760.830.690.871.24
bis(2-ethylhexyl)phthalateME6353920.980.831.140.771.052.070.911.020.590.521.070.800.881.07
uracilME6353121.100.940.881.181.141.390.630.850.620.731.210.890.881.34
urateME6353261.361.050.850.801.011.600.940.850.920.761.050.751.011.19
kynurenineME6353341.980.740.931.501.340.580.830.450.990.241.240.851.870.34
gamma-glutamyltyrosineME6353752.141.221.200.500.040.031.091.112.141.471.270.861.370.50
deoxyguanosineME6353591.051.021.091.040.160.291.081.081.060.851.911.061.431.19
niacinamideME6353151.230.861.001.720.300.201.020.871.020.811.600.881.010.99
carnitineME6353251.361.031.301.230.050.061.591.151.591.421.661.071.190.79
Car(9:0)ME6353711.320.701.361.080.280.071.601.141.161.101.391.041.120.58
glutamineME6353211.150.821.211.070.090.061.751.111.451.261.500.861.200.43
creatineME6353160.930.891.311.450.220.141.441.251.301.241.291.031.150.58
PC(38:6)ME6354480.961.131.181.470.310.241.341.371.271.311.321.281.110.87
sphingosine-1P (C18)ME6353911.080.911.091.090.350.361.441.001.501.151.320.950.870.91
Car(2:0)ME6353321.371.131.071.100.160.201.261.101.271.041.391.071.220.78
pantothenateME6353371.261.261.081.230.230.161.001.041.361.261.111.101.080.84
prolineME6353131.540.961.070.940.490.301.290.941.381.081.360.951.111.10
valineME6353141.670.811.220.990.430.341.400.931.320.951.420.811.100.79
cholesterol (-H2O)ME6353881.380.860.981.140.610.661.190.871.210.931.280.891.210.81
Asp-LeuME6353521.771.001.051.070.410.641.180.861.150.841.380.811.030.90
Car(4:0)ME6353431.521.091.031.220.410.431.140.881.190.891.230.941.140.93
serotoninME6353271.700.711.121.090.320.491.280.641.720.781.420.721.091.09
Ile-ValME6353411.720.721.181.120.090.101.570.811.561.081.570.741.140.75
Car(5:0-OH)ME6353581.370.621.071.150.290.261.470.911.460.991.610.821.250.85
Car(5:0)ME6353511.380.651.121.140.210.291.480.861.851.031.490.761.090.61
Car(5:0) isomersME6353501.310.691.091.100.210.281.480.881.871.051.510.781.130.63
Car(8:1)ME6353660.871.061.151.120.520.600.801.550.641.390.961.630.680.72
Car(10:0-OH)ME6353810.841.171.071.600.140.181.141.310.851.050.891.381.040.73
Car(8:0-OH)ME6353741.070.721.091.800.260.251.151.230.971.120.831.011.040.58
Car(10:1)ME6353770.730.821.201.160.290.391.231.530.961.340.821.690.860.64
Car(12:1)ME6353821.060.721.201.200.300.161.451.350.911.131.081.521.150.62
Car(14:2)ME6353870.980.721.251.040.190.211.461.391.011.291.151.541.040.67
Car(16:2)ME6353950.930.781.221.180.160.131.491.331.061.181.081.540.980.82
SM(d36:1)ME6354330.740.931.131.250.510.551.201.201.211.190.981.100.830.71
Car(6:0)ME6353551.380.841.101.050.420.971.131.071.010.981.040.971.130.63
Car(8:0)ME6353671.200.671.161.010.490.841.191.210.951.111.041.171.140.55
Car(11:0)ME6353791.350.751.151.270.720.441.171.100.880.970.981.140.990.99
Car(12:0)ME6353831.410.831.111.260.340.211.341.061.071.001.201.201.140.81
Car(10:0)ME6353781.180.741.131.250.460.401.271.151.011.071.121.241.090.63
Car(14:1)ME6353891.320.701.141.340.390.261.411.130.991.040.991.261.100.72
cholineME6353111.551.521.190.990.290.231.261.101.411.241.361.271.231.51
LPE(18:2)_rp_bME6354051.391.541.260.750.270.211.431.181.321.231.631.401.431.22
GMPME6353861.761.500.860.530.350.191.221.211.121.131.271.491.351.49
guanineME6353231.901.370.830.980.200.111.171.160.980.981.181.391.161.53
Car(14:0)ME6353901.460.951.181.430.330.171.401.061.140.991.181.261.221.15
Car(18:0)ME6354001.491.021.271.320.270.141.391.121.211.171.221.391.161.60
Car(18:2)ME6353981.600.941.261.170.430.281.411.091.151.091.171.331.071.39
Car(16:1)ME6353961.640.741.111.560.560.171.390.920.960.780.961.151.090.96
Car(16:0)ME6353971.520.901.081.210.550.281.210.951.060.921.051.161.081.29
Car(18:1)ME6353991.830.861.171.420.660.341.320.931.070.921.021.151.111.44
sphingosine (C18)ME6353701.690.961.240.890.450.401.150.801.180.911.180.801.121.93
LPC(14:0)ME6354041.441.311.001.030.380.431.050.750.980.741.171.191.192.09
LPC(16:1)_rp_a_bME6354081.731.150.991.230.480.590.960.660.970.641.150.931.181.65
SM(d40:2)ME6354451.080.991.110.571.031.001.021.141.141.320.911.190.961.00
monoethylhexyl phthalateME6353621.331.111.090.720.900.910.820.881.190.921.551.011.011.18
SM(d32:1)ME6354261.421.371.180.690.980.800.960.930.980.810.931.150.991.39
inosineME6353601.011.020.971.370.550.720.731.020.730.791.490.981.111.33
PC(34:3)ME6354381.111.170.851.220.540.451.071.070.910.791.191.391.171.39
3-indolepropionateME6353301.190.720.981.090.890.791.061.021.191.131.020.950.691.47
PC(28:0)ME6354271.161.050.891.300.720.701.131.091.000.900.961.090.791.10
PC(36:3)ME6354441.461.211.021.510.490.391.271.041.251.021.411.091.250.94
PC(34:1)ME6354401.231.211.021.470.660.561.221.121.201.071.261.141.140.94
PC(36:2)ME6354461.271.220.971.460.760.681.181.081.131.021.231.171.130.98
LPC(17:0)_rp_a_bME6354111.211.031.201.150.690.651.201.041.451.291.101.260.941.38
LPC(20:4)_rp_a_bME6354151.241.111.181.200.520.841.171.141.311.291.151.090.971.09
LPC(18:1)_rp_bME6354141.381.161.181.320.510.621.200.951.211.031.301.101.161.32
LPC(18:2)_rp_a_bME6354131.471.051.111.090.790.621.321.091.271.091.361.181.091.29
LPC(16:0)_a_bME6354091.471.031.091.140.910.891.181.111.161.061.171.121.031.23
LPC(18:2)_rp_bME6354121.451.051.111.180.910.771.241.041.161.001.281.111.091.25
PC(36:4)ME6354431.231.110.791.441.081.341.031.041.041.001.071.050.980.81
LPC(20:3)_rp_a_bME6354181.450.951.131.230.661.001.150.931.251.021.250.981.201.12
LPC(20:3)_rp_bME6354171.380.980.901.140.771.291.160.981.231.061.241.011.201.09
LPC(20:4)_rp_bME6354161.430.961.081.261.110.971.111.071.241.141.140.950.890.99
LPC(16:0)_rp_bME6354101.231.051.021.181.031.071.111.061.111.091.121.161.081.08
sphinganine (C16)ME6353611.081.020.941.140.970.871.041.001.031.031.001.041.030.99
SM(d40:1)ME6354471.380.941.230.620.270.261.381.121.691.211.031.531.120.81
PC(40:6)ME6354520.601.111.150.610.520.261.231.441.271.511.321.511.111.03
LPE(18:0)_rp_bME6354071.071.321.210.660.660.661.281.361.241.441.271.441.301.19
PC(35:2)ME6354420.811.091.090.570.840.581.161.281.081.361.081.431.051.34
PC(35:3)ME6354411.131.350.990.580.860.471.081.191.081.241.101.501.041.37
3-hydroxyphenyl-valerateME6353310.980.920.950.660.740.711.261.131.611.101.331.190.951.02
PC(34:4)ME6354371.471.121.180.690.590.391.271.101.271.051.181.091.031.31
SM(d42:2)ME6354491.190.971.340.680.850.451.221.001.320.790.991.401.111.28
Car(3:0)ME6353362.050.950.941.660.450.310.980.750.940.771.250.841.010.78
Car(5:1)ME6353452.120.940.911.700.210.191.020.781.100.861.320.801.190.48
2-piperidinoneME6353101.300.920.891.660.450.660.921.101.150.790.930.851.050.64
Car(3:0, 2-CH3)ME6353421.690.710.931.470.250.911.100.701.400.891.150.710.850.55
Car(4:0,3-CH3)ME6353492.690.731.130.920.160.301.410.791.540.911.300.811.090.69
hypoxanthineME6353201.850.840.931.320.350.310.990.941.140.781.700.751.121.20
sphinganine (C18)ME6353721.890.541.201.010.690.531.070.931.270.651.470.511.391.23
gamma-glutamylisoleucineME6353561.830.671.111.030.710.811.320.691.290.751.390.670.940.80
gamma-glutamylleucineME6353571.830.591.010.980.971.051.280.721.280.671.340.570.910.88
Glu-PheME6353681.900.680.950.990.991.141.080.741.280.741.110.670.851.02
Ile-IleME6353472.310.881.120.630.730.601.250.741.200.851.410.781.221.21
Leu-IleME6353482.250.871.110.650.780.631.250.761.180.861.390.771.201.17
S-allylcysteineME6353241.810.861.120.420.900.591.430.831.581.021.190.921.091.38
tryptophanME6353331.730.791.090.570.760.911.320.871.440.921.330.821.100.95
leucineME6353191.740.831.210.580.580.641.380.911.470.971.350.831.190.97
IsoleucineME6353171.810.821.190.560.520.541.420.921.491.041.390.831.221.00
leucine+ isoleucineME6353181.830.851.160.560.550.611.410.921.460.981.380.851.210.99
PC(33:2)ME6354360.701.000.911.141.360.750.821.230.731.060.751.390.791.65
SM(d42:1)ME6354500.890.881.201.110.150.271.101.081.621.210.901.250.961.55
sn-glycero-3-phosphocholineME6353541.201.460.871.370.180.290.670.980.881.230.831.560.732.07
Car(16:3)ME6353940.811.441.100.910.450.431.231.180.891.010.771.610.811.90
PC(32:2)ME6354321.151.371.140.690.630.201.171.111.110.961.141.451.081.89
Car(20:0)ME6354021.910.521.270.910.100.041.290.560.720.861.491.522.371.32
FA(12:0-NH2)ME6353351.621.161.281.300.310.360.820.400.670.721.332.001.471.23
N-undecanoylglycineME6353461.250.851.881.850.170.310.450.390.630.711.521.161.320.76
5^-methylthioadenosineME6353691.230.620.643.450.110.130.680.560.650.560.830.620.840.62
MG(18:1)_rp_a_bME6353850.980.500.772.301.001.790.880.480.650.371.090.370.852.05
MG(18:1)_rp_bME6353840.920.480.732.701.021.670.770.390.540.320.990.330.822.02
DG(18:1_18:1)ME6354251.360.681.050.913.392.940.990.920.950.860.900.920.400.39
PC(40:8)ME6354510.680.510.430.732.313.710.580.670.540.650.540.660.580.45
deoxycholateME6353931.000.261.021.095.530.941.320.221.970.490.890.250.450.46
DG(32:0)ME6354210.840.551.070.854.122.070.670.420.960.320.470.540.340.53
DG(32:1)ME6354201.290.640.720.924.461.400.800.470.950.380.810.540.730.47
FA(16:1)ME6353531.150.560.941.334.481.000.760.600.730.600.940.691.100.58

Factors:

F1Group:Control | Timepoint:8 weeks of training or control time | Sex:Female
F2Group:Control | Timepoint:8 weeks of training or control time | Sex:Male
F3Group:QC-DriftCorrection | Timepoint:0 hour | Sex:-
F4Group:QC-Pooled | Timepoint:0 hour | Sex:-
F5Group:QC-ReCAS | Timepoint:0 hour | Sex:-
F6Group:QC-Reference | Timepoint:0 hour | Sex:-
F7Group:Training | Timepoint:1 week of training or control time | Sex:Female
F8Group:Training | Timepoint:1 week of training or control time | Sex:Male
F9Group:Training | Timepoint:2 weeks of training | Sex:Female
F10Group:Training | Timepoint:2 weeks of training | Sex:Male
F11Group:Training | Timepoint:4 weeks of training | Sex:Female
F12Group:Training | Timepoint:4 weeks of training | Sex:Male
F13Group:Training | Timepoint:8 weeks of training or control time | Sex:Female
F14Group:Training | Timepoint:8 weeks of training or control time | Sex:Male
Data matrix
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