Clustering data with hclust algorithm for Untargeted metabolomics and lipidomics of scleroderma PAH discovery cohort (Study ST000763)

C18 NEGATIVE ION MODE (Analysis AN001203)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20
PI 36:1; [M-H]-@6.33ME2118810.740.571.091.281.080.981.690.510.761.160.720.581.081.280.960.981.240.250.861.68
PA 34:2; [M-H]-@6.19ME2118230.940.730.990.840.851.092.201.511.030.940.771.061.021.290.860.631.360.910.761.10
PI 38:3; [M-H]-@6.12ME2118850.890.850.920.940.980.902.250.440.920.950.800.891.011.000.960.741.410.440.920.93
PS 38:5; [M-H]-@5.57ME2118930.960.510.810.871.041.072.610.740.760.690.940.810.921.040.990.931.610.200.891.04
FFA(22:1)ME2118161.241.080.861.101.010.761.171.001.061.311.101.290.880.860.920.891.001.380.991.03
FFA(24:1)ME2118201.191.080.800.791.000.981.170.641.191.401.111.150.800.861.000.981.141.221.081.10
FFA(24:2)ME2118211.371.110.710.780.970.801.210.691.291.331.221.110.720.870.940.901.191.181.140.98
FFA(20:4) Arachidonic acidME2118141.451.300.750.981.020.681.350.451.211.371.181.260.730.990.840.711.060.711.061.10
FFA(20:1)ME2118121.721.280.590.910.890.821.560.801.561.751.241.150.560.800.660.691.121.061.141.21
FFA(20:2)ME2118131.741.410.610.860.900.721.650.761.501.481.241.250.550.770.670.651.171.081.121.07
FFA(22:3)ME2118181.581.150.730.850.910.871.420.701.311.691.191.020.660.990.790.851.110.971.071.11
FFA(22:2)ME2118171.481.040.701.000.920.881.460.751.311.611.251.320.620.830.810.661.201.161.101.18
FFA(18:1)ME2118091.531.190.650.920.910.821.420.791.461.461.211.150.630.890.740.721.131.081.211.24
FFA(18:2)ME2118101.591.220.630.890.920.721.460.701.411.271.231.170.640.930.730.671.160.991.231.12
PC 39:6; [M-Ac-H]-@6.36ME2118410.960.710.970.980.990.691.041.361.260.551.060.910.960.861.100.701.010.711.010.71
CL 66:1; [M-2H](2-)@6.20ME2118020.810.301.180.561.260.981.090.530.791.170.830.351.180.551.290.870.810.850.671.31
PE 32:1; [M-H]-@6.19ME2118470.810.261.190.641.250.881.120.530.701.530.870.211.130.461.420.880.820.640.641.24
PC 33:1; [M-Ac-H]-@6.39ME2118290.980.721.090.970.960.911.000.900.961.251.010.571.030.941.100.860.850.780.961.04
PC 32:1; [M-Ac-H]-@6.04ME2118270.950.541.100.761.120.780.730.630.811.500.910.531.180.951.210.850.770.830.771.39
plasmenyl-PE 32:1; [M-H]-@6.53ME2119050.900.551.100.691.031.040.810.470.851.491.000.721.080.961.300.970.930.570.811.08
plasmenyl-PE 40:4; [M-H]-@7.70ME2119220.950.531.010.921.101.301.180.240.750.731.010.671.111.051.181.521.020.280.800.88
PE 35:1; [M-H]-@7.06ME2118531.020.821.070.521.170.651.350.500.710.990.891.031.090.811.260.500.980.410.710.99
PI 38:6; [M-H]-@5.16ME2118881.050.561.020.831.080.781.220.410.930.770.910.571.051.260.960.691.390.820.950.66
PI 40:6; [M-H]-@5.80ME2118901.190.320.980.850.950.601.430.751.011.080.910.550.961.080.920.561.250.681.170.82
PE 34:1; [M-H]-@6.80ME2118500.940.511.040.591.140.861.720.400.800.910.890.641.030.711.200.821.200.440.810.88
PI 36:4; [M-H]-@5.27ME2118841.050.641.010.791.120.851.530.420.870.920.940.760.960.951.010.861.210.270.950.88
PI 38:5; [M-H]-@5.41ME2118871.040.540.950.781.140.741.490.560.861.090.920.740.950.961.010.741.300.471.031.12
PC 40:8; [M-Ac-H]-@5.76ME2118461.000.611.030.921.070.801.650.150.911.020.830.800.901.201.080.921.220.341.010.78
PI 34:2; [M-H]-@5.28ME2118801.020.520.970.801.030.731.780.440.930.880.960.740.901.020.930.951.460.481.060.80
PS 36:1; [M-H]-@6.45ME2118910.950.580.920.901.140.991.900.350.750.860.950.580.980.881.050.821.400.301.010.81
PI 36:2; [M-H]-@5.93ME2118821.020.840.931.001.020.731.510.551.010.900.890.940.991.080.980.601.390.630.950.85
PI 38:4; [M-H]-@5.89ME2118860.930.940.971.031.010.981.430.371.020.950.840.991.021.031.020.761.190.531.000.91
PI 36:3; [M-H]-@5.43ME2118831.010.640.970.941.030.781.460.620.850.920.920.800.991.141.010.891.360.710.961.06
PI 40:5; [M-H]-@5.97ME2118891.040.660.970.951.030.921.370.510.871.200.910.851.021.410.930.841.270.470.911.17
PE 33:1; [M-H]-@6.49ME2118480.980.621.030.251.131.261.070.810.761.001.040.511.120.911.390.660.910.740.750.59
PE 39:6; [M-H]-@6.52ME2118691.160.371.150.471.120.440.940.400.830.621.160.181.110.701.170.770.950.490.800.39
PE 40:4; [M-H]-@7.37ME2118700.990.520.920.711.170.841.060.380.720.971.090.671.120.871.281.091.100.470.840.83
plasmenyl-PE 42:5; [M-H]-@7.83ME2119260.950.471.050.771.131.010.980.420.770.881.000.741.151.061.151.300.860.530.880.83
PE 34:2; [M-H]-@6.35ME2118510.930.561.090.491.170.971.050.580.880.970.940.391.050.771.281.150.960.910.820.87
CL 74:7; [M-2H](2-)@6.21ME2118030.930.531.130.641.250.911.070.360.870.670.930.531.120.641.210.950.970.760.730.68
PE 36:4; [M-H]-@6.16ME2118600.930.621.060.621.150.971.140.390.890.730.980.521.060.631.321.180.970.670.790.73
PE 36:1; [M-H]-@7.39ME2118570.870.721.090.761.250.971.130.520.700.690.860.781.150.821.341.000.880.600.730.66
PE 36:2; [M-H]-@6.92ME2118580.860.611.100.731.220.940.920.500.780.770.870.611.140.881.331.110.910.630.800.79
PE 36:3; [M-H]-@6.49ME2118590.850.521.140.661.220.880.970.440.770.850.860.521.160.881.301.070.900.700.800.81
PE 40:8; [M-H]-@5.89ME2118741.040.341.020.761.240.721.040.380.710.651.060.331.150.991.270.720.920.830.800.48
PE 33:2; [M-H]-@6.02ME2118490.890.421.030.771.250.900.930.350.810.880.890.511.140.851.480.820.930.890.720.61
PE 35:4; [M-H]-@6.01ME2118550.930.541.080.761.290.741.060.340.810.630.880.621.130.691.300.651.000.780.800.50
PE 35:2; [M-H]-@6.63ME2118540.950.371.080.631.210.781.120.430.850.871.000.461.050.731.290.721.090.850.760.73
PE 38:7; [M-H]-@5.99ME2118681.030.341.000.641.160.921.030.440.980.660.890.471.100.681.290.561.110.900.890.68
PE 38:5; [M-H]-@6.47ME2118661.030.431.050.601.190.670.980.420.840.991.030.451.100.731.210.800.960.550.860.81
PE 40:7; [M-H]-@6.32ME2118731.030.511.070.631.130.581.230.430.890.631.080.461.060.701.210.610.950.710.840.68
PE 38:6; [M-H]-@6.08ME2118671.050.451.010.601.200.551.170.570.890.531.070.501.030.771.160.651.090.690.940.63
PE 40:6; [M-H]-@6.87ME2118721.100.591.040.611.230.531.070.540.900.471.060.611.000.721.180.581.100.590.910.52
PE 38:3; [M-H]-@7.19ME2118640.970.561.020.491.070.731.120.450.880.601.090.681.110.671.220.650.990.770.950.86
PE 37:4; [M-H]-@6.61ME2118621.030.591.000.651.170.761.040.440.760.831.130.731.110.681.240.611.010.680.820.65
PE 40:5; [M-H]-@7.06ME2118711.080.500.980.621.190.821.080.460.830.621.060.571.040.791.270.641.080.520.870.75
PC 34:4; [M-Ac-H]-@5.48ME2118330.970.671.150.801.310.830.810.160.800.620.820.771.190.911.230.720.720.470.820.47
PC 28:0; [M-Ac-H]-@5.20ME2118240.740.541.360.701.260.760.640.340.690.720.700.571.330.771.210.830.770.560.820.47
PC 30:1; [M-Ac-H]-@5.38ME2118260.840.431.180.701.300.740.680.460.680.890.760.661.310.771.310.770.730.600.840.78
PE 34:3; [M-H]-@5.95ME2118520.850.361.250.381.290.970.870.440.840.660.780.391.170.561.400.950.810.520.750.49
PE 36:5; [M-H]-@5.93ME2118610.900.261.340.571.100.680.710.590.790.880.850.221.350.611.170.690.700.660.770.69
FFA(24:3)ME2118221.101.520.850.931.001.031.040.431.170.831.051.370.861.011.130.941.080.721.010.78
lysoPE 22:4; [M-H]-@1.92ME2119011.311.130.830.891.241.271.020.260.921.221.111.040.940.971.021.060.880.310.860.80
PE 36:0; [M-H]-@7.80ME2118561.000.810.990.930.991.361.060.960.890.981.021.050.990.911.060.981.031.171.011.08
FFA(22:0)ME2118151.110.940.961.101.101.010.880.870.870.951.030.951.051.141.041.120.931.090.890.81
PG 36:0; [M-H]-@6.91ME2118770.951.000.991.221.001.251.041.051.021.070.961.031.001.030.900.921.110.831.001.16
CerP 34:1; [M-H]-@5.79ME2118051.011.170.971.160.910.980.930.751.031.200.991.001.031.081.010.871.000.761.021.07
FFA(20:0)ME2118111.100.990.961.121.030.870.920.930.971.111.031.071.001.130.960.891.021.090.950.96
FFA(16:0)ME2118071.151.060.921.010.990.881.070.911.081.151.061.060.920.980.930.881.041.031.031.06
FFA(18:0)ME2118081.061.010.981.051.010.900.980.981.031.091.011.030.980.990.970.901.011.030.981.05
PC 37:5; [M-Ac-H]-@5.98ME2118391.030.631.080.800.980.570.990.110.871.120.950.701.150.991.110.960.890.330.970.96
lysoPE 22:6; [M-H]-@1.27ME2119031.250.690.881.001.080.820.970.420.980.661.190.930.931.300.970.801.091.071.030.63
plasmenyl-PE 36:5; [M-H]-@6.25ME2119141.050.681.061.061.071.020.840.410.940.511.000.651.131.221.111.110.680.540.960.42
plasmenyl-PE 34:3; [M-H]-@6.30ME2119091.010.831.120.971.091.050.790.350.790.740.950.791.221.201.101.130.760.870.750.59
plasmenyl-PE 36:2; [M-H]-@7.24ME2119111.000.941.031.111.080.860.870.320.910.890.971.031.061.241.151.150.830.570.900.72
lysoPE 18:1; [M-H]-@1.80ME2118971.021.171.071.001.230.950.680.320.780.810.981.051.071.161.191.140.760.760.760.77
lysoPE 18:2; [M-H]-@1.34ME2118980.900.911.131.051.210.900.710.390.800.950.951.091.081.151.181.100.800.760.780.73
lysoPE 20:4; [M-H]-@1.31ME2119001.091.030.960.981.081.120.850.530.881.111.071.270.971.281.061.140.910.730.930.88
plasmenyl-PE 40:6; [M-H]-@7.13ME2119241.020.970.921.051.081.101.050.470.940.631.091.061.011.121.050.941.010.581.020.72
FFA(24:0)ME2118190.940.831.101.101.081.340.830.480.840.880.921.011.101.181.111.320.890.670.840.66
plasmenyl-PE 38:4; [M-H]-@7.16ME2119181.030.980.910.961.131.241.020.350.840.841.071.130.991.131.141.440.970.480.950.75
plasmenyl-PE 36:4; [M-H]-@6.60ME2119131.060.910.930.951.161.230.910.380.840.821.061.031.021.071.201.350.880.640.880.81
plasmenyl-PE 36:3; [M-H]-@6.88ME2119120.990.991.011.041.111.190.900.440.880.810.961.121.031.201.151.250.870.580.900.79
plasmenyl-PE 38:5; [M-H]-@6.70ME2119191.030.970.980.971.101.210.900.470.890.821.001.091.031.131.111.190.900.590.950.83
plasmenyl-PE 34:0; [M-H]-@7.15ME2119060.960.951.020.821.170.961.090.420.840.800.970.791.101.251.111.080.840.430.860.79
plasmenyl-PE 38:3; [M-H]-@7.49ME2119171.030.740.940.891.131.201.090.270.860.761.011.001.021.131.161.370.890.420.970.69
plasmenyl-PE 40:5; [M-H]-@7.38ME2119231.010.770.960.861.091.091.120.280.870.880.990.861.071.061.131.180.970.410.910.79
plasmenyl-PE 34:1; [M-H]-@7.13ME2119070.950.890.990.921.070.961.210.400.850.950.991.061.061.071.131.020.940.510.910.84
plasmenyl-PE 36:1; [M-H]-@7.67ME2119101.020.910.960.861.111.111.260.360.810.750.961.111.021.081.181.210.970.540.870.84
PC 30:0; [M-Ac-H]-@5.92ME2118250.930.591.150.761.350.680.840.840.780.810.890.661.150.861.170.770.820.980.760.68
plasmenyl-PE 42:6; [M-H]-@7.71ME2119271.110.741.060.741.130.820.740.690.810.760.930.671.191.131.101.020.930.940.810.68
PE 38:2; [M-H]-@6.77ME2118630.930.691.020.941.070.880.930.850.900.681.101.121.041.261.090.890.880.660.951.00
PG 34:1; [M-H]-@5.89ME2118750.900.861.031.011.161.031.170.320.930.810.850.780.981.091.230.851.100.680.860.81
PG 36:2; [M-H]-@5.89ME2118781.020.761.020.841.161.011.170.600.821.020.860.651.001.121.231.001.160.730.780.81
plasmenyl-PE 42:4; [M-H]-@8.13ME2119250.970.591.060.981.161.160.980.570.730.770.940.491.181.121.071.070.980.660.870.79
plasmenyl-PE 38:2; [M-H]-@7.81ME2119160.880.691.161.121.040.920.940.390.770.810.880.631.191.351.120.890.770.630.920.67
plasmenyl-PE 38:1; [M-H]-@8.18ME2119150.840.831.140.811.050.911.120.410.791.090.870.771.161.311.101.120.940.730.800.77
plasmenyl-PE 40:2; [M-H]-@8.22ME2119210.870.641.061.001.110.871.070.440.750.900.940.601.191.271.141.020.940.810.830.83
PC 40:3; [M-Ac-H]-@7.54ME2118421.050.871.070.890.960.710.900.320.841.080.971.111.071.081.080.881.090.840.920.96
PC 34:2; [M-Ac-H]-@6.18ME2118310.980.701.030.951.090.811.000.510.890.900.970.791.081.131.100.861.010.660.910.83
plasmenyl-PE 38:6; [M-H]-@6.49ME2119201.060.830.960.941.100.940.980.460.930.851.010.881.031.101.111.010.990.690.970.73
PC 38:2; [M-Ac-H]-@7.37ME2118401.000.801.030.931.090.710.890.520.911.070.960.931.081.111.120.830.920.890.900.81
PC 33:2; [M-Ac-H]-@5.92ME2118300.950.801.040.981.070.830.990.540.921.080.930.891.051.231.091.010.980.800.881.00
plasmenyl-PE 34:2; [M-H]-@6.66ME2119081.030.860.970.971.111.000.940.620.900.941.021.021.021.171.131.000.920.810.900.93
PC 35:1; [M-Ac-H]-@6.99ME2118341.040.721.090.861.020.700.890.580.930.961.090.651.090.870.980.661.010.840.980.73
PC 37:2; [M-Ac-H]-@7.12ME2118371.030.821.100.861.010.450.910.580.810.721.010.921.111.291.050.760.940.840.940.95
PC 35:2; [M-Ac-H]-@6.50ME2118351.060.781.010.881.070.711.040.600.900.831.060.831.031.061.070.781.020.850.940.81
PC 40:7; [M-Ac-H]-@6.17ME2118451.050.851.050.881.030.560.950.680.970.780.980.771.001.171.090.740.960.881.050.79
PC 40:5; [M-Ac-H]-@7.00ME2118441.080.770.960.731.100.910.950.610.920.781.011.031.040.821.190.851.000.710.970.81
PC 34:3; [M-Ac-H]-@5.74ME2118321.000.681.050.861.100.740.900.510.880.710.990.701.120.931.180.740.910.720.880.83
PE 38:4; [M-H]-@6.89ME2118651.010.580.980.691.130.861.070.540.900.721.020.741.080.821.170.811.060.670.940.85
PC 32:2; [M-Ac-H]-@5.54ME2118280.900.601.160.871.190.760.810.430.820.720.830.651.210.991.220.770.810.600.830.64
PC 36:5; [M-Ac-H]-@5.62ME2118360.980.561.150.921.090.720.730.480.920.730.940.641.181.031.100.730.750.520.940.72
lysoPE 16:0; [M-H]-@1.64ME2118950.990.551.060.971.200.760.720.500.830.741.080.741.071.041.180.850.860.770.940.58
lysoPE 18:0; [M-H]-@2.39ME2118961.050.670.990.951.160.720.820.330.890.821.110.711.041.141.130.830.980.630.940.66
PC 37:3; [M-Ac-H]-@6.69ME2118381.220.881.000.860.960.921.010.310.850.911.130.891.030.921.080.940.990.590.811.11
PG 34:2; [M-H]-@5.48ME2118761.070.581.060.981.210.751.020.420.670.921.080.960.951.011.250.810.870.560.870.95
CerP 32:1; [M-H]-@5.07ME2118041.171.191.030.791.060.861.060.380.771.041.060.921.040.911.020.960.860.560.970.67
lysoPE 20:3; [M-H]-@1.61ME2118991.090.841.020.871.040.750.720.290.920.991.200.981.061.170.990.780.870.880.970.68
lysoPE 22:5; [M-H]-@1.56ME2119021.161.020.950.831.110.870.810.270.891.131.231.080.961.121.020.911.040.660.860.81
CerP 34:2; [M-H]-@5.25ME2118061.140.840.980.960.980.550.970.250.910.971.030.951.041.181.120.780.940.451.010.79
PC 40:4; [M-Ac-H]-@7.26ME2118431.071.080.930.781.170.810.900.420.861.031.031.091.030.971.200.820.920.540.920.85
plasmenyl-PE 32:0; [M-H]-@7.05ME2119041.030.870.960.801.210.650.830.340.970.831.021.041.001.111.200.700.820.491.010.84
PS 38:4; [M-H]-@6.05ME2118920.690.710.630.840.840.826.320.150.570.650.640.740.650.850.670.802.960.050.700.57
PI 34:1; [M-H]-@5.71ME2118790.870.660.860.890.970.614.320.410.711.220.750.770.860.960.890.711.210.150.751.04
PS 40:4; [M-H]-@6.44ME2118940.700.920.680.680.990.785.390.360.650.920.780.930.770.800.990.731.430.200.770.73

Factors:

F1Exercise:No | Group:Borderline Pressures | Sex:Female | Type:Cath
F2Exercise:No | Group:Borderline Pressures | Sex:Male | Type:Cath
F3Exercise:No | Group:Healthy | Sex:Female | Type:Non-invasive
F4Exercise:No | Group:Healthy | Sex:Male | Type:Non-invasive
F5Exercise:No | Group:LowRisk | Sex:Female | Type:Non-invasive
F6Exercise:No | Group:LowRisk | Sex:Male | Type:Non-invasive
F7Exercise:No | Group:Normal Pressures | Sex:Female | Type:Cath
F8Exercise:No | Group:Normal Pressures | Sex:Male | Type:Cath
F9Exercise:No | Group:PAH | Sex:Female | Type:Cath
F10Exercise:No | Group:PAH | Sex:Male | Type:Cath
F11Exercise:Yes | Group:Borderline Pressures | Sex:Female | Type:Cath
F12Exercise:Yes | Group:Borderline Pressures | Sex:Male | Type:Cath
F13Exercise:Yes | Group:Healthy | Sex:Female | Type:Non-invasive
F14Exercise:Yes | Group:Healthy | Sex:Male | Type:Non-invasive
F15Exercise:Yes | Group:LowRisk | Sex:Female | Type:Non-invasive
F16Exercise:Yes | Group:LowRisk | Sex:Male | Type:Non-invasive
F17Exercise:Yes | Group:Normal Pressures | Sex:Female | Type:Cath
F18Exercise:Yes | Group:Normal Pressures | Sex:Male | Type:Cath
F19Exercise:Yes | Group:PAH | Sex:Female | Type:Cath
F20Exercise:Yes | Group:PAH | Sex:Male | Type:Cath
Data matrix
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