Clustering data with hclust algorithm for (Study ST002633)

Reversed phase POSITIVE ION MODE (Analysis AN004305)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13
DG(34:2)ME6242950.281.323.203.610.830.190.930.180.800.251.120.260.94
oleamideME6242430.370.663.963.920.080.380.600.410.440.800.820.550.89
deoxycholateME6242680.660.101.471.450.772.360.123.800.870.980.070.210.08
bis(2-ethylhexyl)phthalateME6242670.710.801.281.463.630.570.850.590.820.380.680.450.39
Car(3:0, 2-CH3)ME6242220.590.780.590.593.420.381.050.400.880.580.850.650.94
urateME6241980.640.640.680.693.720.710.630.620.710.600.490.710.66
glycocholateME6242791.950.701.871.890.232.240.151.460.451.730.091.520.44
2-acetylpyrrolidineME6241841.651.320.020.021.021.151.421.311.311.711.621.490.95
Car(2:0)ME6242121.111.240.130.141.821.141.260.891.250.681.400.950.84
Car(3:0)ME6242170.631.060.170.172.420.671.380.661.280.601.480.701.25
Car(4:0)ME6242230.801.450.400.391.380.571.660.511.500.761.610.851.13
carnitineME6241970.711.430.890.920.960.641.440.651.610.791.260.761.01
Car(4:0,3-CH3)ME6242300.591.150.930.932.330.581.320.521.100.550.890.430.91
Car(5:0) isomersME6242280.671.090.860.851.890.571.290.641.120.641.030.661.21
suberateME6242000.491.171.281.261.610.411.520.451.370.421.300.471.39
DG(36:3)ME6242970.661.841.011.071.650.501.400.451.310.471.890.681.27
DG(18:1_18:1)ME6242980.841.531.181.101.480.431.150.480.940.531.440.770.75
DG(34:1)ME6242960.741.521.541.591.680.441.260.380.980.431.640.671.09
sebacateME6242110.800.652.952.950.770.680.790.690.630.730.630.750.78
SM(d42:1)ME6243250.730.432.292.621.000.670.450.670.910.870.740.510.68
MG(16:0)ME6242550.620.942.502.470.470.660.790.630.650.900.890.911.12
PC(32:1)ME6243070.930.772.112.130.360.650.720.640.710.930.761.021.22
inosineME6242380.690.862.042.070.421.330.620.961.170.910.471.090.30
glucoseME6242040.630.922.102.080.590.780.950.770.950.930.760.690.65
cholesterolME6242620.700.682.392.410.560.790.750.790.800.840.650.680.68
3-hydroxyphenyl-valerateME6242100.800.782.212.330.470.770.660.860.860.950.760.650.63
prolineME6241850.840.782.212.190.560.760.750.740.770.950.700.830.68
valineME6241860.870.942.192.290.521.000.991.041.141.100.710.810.64
LPC(20:3)_a_bME6242910.930.952.212.180.700.940.921.001.030.970.870.810.75
LPC(20:3)_bME6242900.940.972.172.140.660.970.931.041.031.030.860.820.76
alpha-tocopherolME6242760.920.842.402.420.531.040.851.180.931.030.660.830.67
cholineME6241820.840.952.512.380.480.840.851.030.741.110.870.820.69
25-hydroxy-cholesterolME6242661.160.852.142.160.900.980.831.000.790.860.650.810.70
bilirubinME6242940.890.742.112.140.481.200.751.010.750.900.510.800.60
biliverdinME6242930.940.781.851.840.611.190.641.090.951.070.470.810.64
sphingosine-1P (C18)ME6242650.931.331.801.850.691.010.961.071.211.010.870.790.88
SM(d32:1)ME6242991.070.881.721.800.570.790.910.921.001.080.780.780.67
sn-glycero-3-phosphocholineME6242320.851.071.851.800.580.690.870.781.030.950.740.780.93
LPE(18:0)_bME6242811.230.811.691.570.581.220.891.110.821.181.031.141.07
FA(16:1)ME6242310.940.951.571.540.611.131.161.101.170.861.240.750.73
PC(34:2)ME6243120.950.951.541.531.051.130.951.071.000.961.080.971.14
PC(36:4)ME6243180.880.981.701.691.051.060.910.990.970.831.110.921.13
PC(40:8)ME6243260.860.981.751.750.921.140.891.111.020.811.160.881.05
PC(35:3)ME6243150.710.751.952.011.000.630.670.600.800.930.800.781.00
monoethylhexyl phthalateME6242410.740.751.971.931.400.670.780.750.610.880.790.690.64
Ile-ProME6242200.700.821.881.831.080.860.920.810.880.810.750.620.63
Leu-ProME6242210.660.872.042.010.980.780.870.720.860.790.750.630.62
Car(5:0)ME6242290.601.011.641.641.330.481.100.581.020.640.890.571.05
methionineME6241950.830.791.561.521.240.760.790.840.810.820.940.780.93
N-undecanoylglycineME6242260.710.901.421.501.770.750.850.740.770.910.880.791.03
sphinganine (C18)ME6242511.401.650.780.770.900.730.551.001.020.911.130.741.56
sphingosine (C18)ME6242501.301.740.700.690.840.710.630.881.200.681.080.692.08
glycochenodeoxycholateME6242770.911.311.411.350.461.830.630.840.910.850.430.791.42
Car(14:0)ME6242641.730.881.161.170.631.840.822.110.941.130.691.080.58
Car(16:1)ME6242711.920.610.950.960.551.950.602.210.681.060.510.930.35
Car(16:3)ME6242691.450.620.820.800.662.230.672.440.741.090.520.830.39
Car(14:1)ME6242631.490.700.920.900.621.960.722.110.831.090.570.900.47
Car(16:2)ME6242701.230.720.981.000.561.960.722.160.970.960.640.790.57
SM(d36:3)ME6243031.250.761.391.490.551.370.791.510.821.240.550.870.55
Car(12:1)ME6242561.720.800.700.720.801.760.741.710.841.040.761.090.58
Car(14:2)ME6242611.440.780.730.710.791.780.791.910.891.100.721.040.57
N-acetylmethionineME6242081.060.661.071.080.931.310.891.560.901.110.831.060.56
Car(12:0)ME6242571.410.970.930.940.621.430.861.571.021.030.781.070.63
Car(16:0)ME6242721.260.951.081.080.571.430.931.621.041.000.810.870.59
PC(30:0)ME6243011.220.841.021.020.691.490.791.500.961.190.720.980.77
Car(20:0)ME6242781.230.721.061.030.691.500.901.720.911.320.700.910.48
Car(18:0)ME6242751.210.810.990.990.731.530.841.750.921.140.750.900.60
SM(d36:1)ME6243061.150.741.031.030.861.520.751.690.941.110.670.940.65
SM(d36:2)ME6243041.300.671.061.060.601.750.701.810.871.290.571.020.53
Car(18:1)ME6242741.430.861.030.990.821.690.901.920.951.040.720.980.57
Car(18:2)ME6242731.450.781.031.030.951.740.841.910.941.110.760.860.56
Car(8:1)ME6242451.090.900.870.950.890.701.060.800.991.381.960.790.74
LPC(15:0)ME6242820.940.961.021.012.041.010.900.921.010.821.060.780.89
SM(d38:1)ME6243131.091.010.940.921.821.170.971.121.140.931.010.931.04
SM(d40:1)ME6243221.060.860.800.861.841.090.840.991.120.991.120.961.07
PC(32:2)ME6243050.941.090.860.911.110.821.150.781.130.980.951.101.16
PC(34:4)ME6243101.001.240.760.811.100.791.340.761.210.960.991.081.00
Car(5:0-OH)ME6242360.951.120.590.591.431.011.141.031.260.920.961.000.90
Car(10:1)ME6242531.061.160.420.411.271.091.351.001.300.921.240.920.92
Car(6:0)ME6242331.061.210.460.441.380.991.390.931.370.771.220.860.91
LPC(17:0)_a_bME6242841.061.060.900.921.391.241.201.231.351.041.180.910.91
S-allylcysteineME6241960.910.760.790.751.361.131.301.121.191.011.130.860.54
kynurenineME6242151.111.271.000.970.791.431.321.311.000.980.790.650.50
cytidineME6242241.151.070.930.920.371.281.171.511.151.090.990.970.80
pyroglutamateME6241881.071.211.191.230.261.031.141.121.241.111.030.880.87
Car(5:1)ME6242251.380.881.010.961.380.830.900.930.861.030.910.970.72
hippurateME6242031.340.960.960.951.290.780.410.931.001.080.901.550.70
gamma-glutamylleucineME6242351.050.841.281.291.221.100.831.030.790.920.790.870.75
thyroxineME6243170.910.821.431.411.281.080.831.110.790.960.790.720.53
2-piperidinoneME6241791.280.711.601.610.871.060.810.970.610.980.710.940.69
azelaateME6242051.100.781.511.480.951.260.881.400.811.060.721.150.77
FA(18:1)ME6242440.941.181.161.170.550.981.001.030.731.360.861.221.34
PC(34:3)ME6243111.320.721.111.110.501.400.761.380.811.300.821.220.80
3-methoxytyrosineME6242161.000.861.131.140.731.240.811.100.701.290.841.360.91
indoleacetateME6242011.141.111.020.990.831.220.831.010.851.070.901.180.96
N-acetylleucineME6241991.060.901.181.190.781.270.891.080.831.100.791.040.95
LPC(20:0)ME6242921.051.061.531.360.981.081.231.121.251.200.810.950.73
SM(d40:2)ME6243201.150.971.010.940.951.401.101.481.221.381.011.180.84
SM(d42:2)ME6243241.231.071.041.061.051.251.041.291.181.171.081.120.96
3-indolepropionateME6242070.900.861.081.050.731.061.131.111.121.030.960.941.12
benzylbutylphthalateME6242521.050.980.930.880.661.061.061.320.991.201.201.151.10
diethylphthalateME6242190.850.971.281.370.910.851.171.080.890.940.900.881.22
5^-methylthioadenosineME6242491.231.151.301.260.510.930.821.080.881.101.051.040.82
niacinamideME6241871.141.141.271.230.651.070.860.990.910.980.980.881.00
PC(32:0)ME6243080.961.181.231.230.780.960.790.981.030.870.980.901.16
indole-3-methyl acetateME6242060.960.921.491.300.721.050.681.071.020.950.820.941.01
sphinganine (C16)ME6242390.850.961.291.300.740.960.860.971.000.980.980.880.91
glutamineME6241941.001.131.111.090.801.031.130.951.080.991.090.820.86
Car(10:0)ME6242541.101.141.101.120.730.961.210.941.280.890.980.870.81
Car(8:0)ME6242460.981.161.101.160.850.851.230.841.290.871.050.830.86
FA(18:2)ME6242420.881.221.321.341.020.911.230.851.290.851.130.941.02
pantothenateME6242180.761.171.171.141.220.701.210.761.200.761.040.760.92
LPC(14:0)ME6242801.221.071.021.011.290.991.091.030.991.151.111.341.10
LPC(16:1)_a_bME6242831.341.041.141.131.081.031.051.000.951.171.121.281.16
LPC(18:1)_bME6242871.101.031.111.131.291.191.051.141.261.051.100.960.95
LPC(20:4)_a_bME6242891.011.191.191.201.131.221.131.221.380.951.120.820.88
LPC(20:4)_bME6242880.991.161.281.301.101.191.111.191.330.941.110.830.90
PC(38:6)ME6243231.041.071.341.341.081.151.041.101.101.061.130.990.97
PC(40:6)ME6243271.001.091.461.460.961.111.081.001.111.021.151.030.96
PC(34:1)ME6243140.981.131.291.291.041.051.061.001.151.021.171.011.25
PC(36:2)ME6243210.971.061.361.361.131.041.060.981.091.001.150.981.18
PC(36:3)ME6243191.071.061.181.181.141.031.120.961.081.151.121.151.21
LPC(18:2)_a_bME6242861.061.001.171.191.221.151.031.061.141.081.151.061.08
LPC(18:2)_bME6242851.040.961.251.271.231.141.001.041.101.061.121.071.09
citrateME6242091.230.991.091.090.961.071.001.080.981.040.841.120.50
SM(d35:1)ME6243020.790.781.081.111.411.000.871.020.990.850.960.821.03
N-gammaglutamylmethionineME6242400.951.000.980.961.131.030.980.961.011.090.981.000.85
SM(d34:2)ME6243001.040.960.890.891.121.091.041.071.131.030.980.890.86
Glu-PheME6242481.010.951.041.061.231.080.971.030.881.000.850.870.86
pipecolateME6241890.980.911.051.051.151.110.931.000.970.991.100.880.77
uracilME6241830.971.091.031.011.121.071.070.981.080.850.990.870.78
uridineME6242270.981.021.121.121.101.080.950.981.010.930.930.920.77
alanineME6241780.900.821.061.071.061.000.901.300.951.180.900.930.88
indole-3-lactateME6242140.900.841.041.050.911.181.001.290.931.021.001.060.81
tryptophanME6242130.920.931.051.071.021.140.971.180.941.070.900.920.86
leucineME6241921.030.941.030.991.021.090.961.120.951.050.940.990.84
leucine+ isoleucineME6241911.040.941.030.990.991.100.981.130.951.050.941.000.84
gamma-glutamylisoleucineME6242341.150.950.960.960.981.220.981.130.901.050.831.110.80
IsoleucineME6241901.060.881.041.000.941.120.991.150.891.070.871.110.89
edetateME6242470.921.021.101.101.220.841.010.811.060.861.010.990.89
hypoxanthineME6241930.980.981.141.120.990.990.870.990.921.020.931.060.97
aminobutyrateME6241800.980.951.111.161.030.960.890.930.990.901.021.021.01
dimethylglycineME6241810.960.941.121.131.020.990.890.920.970.891.071.051.00
PC(33:2)ME6243090.790.980.980.991.191.001.040.871.090.921.060.851.15
PC(35:2)ME6243160.970.921.061.061.251.071.130.971.011.081.001.051.05
serotoninME6242021.161.390.990.971.521.080.080.890.950.770.920.911.07
MG(18:1)_a_bME6242581.651.311.481.481.440.870.700.850.650.620.821.050.78
MG(18:1)_bME6242591.651.311.481.481.440.870.700.850.650.620.821.050.78
cortisolME6242600.171.652.092.010.440.251.780.271.830.211.430.170.57
deoxyguanosineME6242370.852.191.471.410.221.430.721.103.290.380.550.380.62

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-Reference | Timepoint:0 hour | Sex:-
F6Group:Training | Timepoint:1 week of training or control time | Sex:Female
F7Group:Training | Timepoint:1 week of training or control time | Sex:Male
F8Group:Training | Timepoint:2 weeks of training | Sex:Female
F9Group:Training | Timepoint:2 weeks of training | Sex:Male
F10Group:Training | Timepoint:4 weeks of training | Sex:Female
F11Group:Training | Timepoint:4 weeks of training | Sex:Male
F12Group:Training | Timepoint:8 weeks of training or control time | Sex:Female
F13Group:Training | Timepoint:8 weeks of training or control time | Sex:Male
Data matrix
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