Clustering data with hclust algorithm for Metabolomics of intensive weight management clinic (IWMC) weight loss (Study ST000744)

C18 POSITIVE ION MODE (Analysis AN001166)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10
CE(20:5); [M+NH4]+@10.32ME2066860.630.220.931.920.240.623.680.690.330.46
TG 42:0; [M+NH4]+@9.73ME2067641.942.511.041.170.750.690.360.540.530.56
TG 44:1; [M+NH4]+@9.76ME2067661.782.141.011.340.850.780.280.640.490.52
TG 40:0; [M+NH4]+@9.44ME2067631.193.260.641.290.610.940.710.530.530.57
TG 42:1; [M+NH4]+@9.47ME2067651.372.980.801.310.860.750.320.750.490.46
TG 58:2; [M+NH4]+@11.29ME2068241.030.530.430.723.121.050.110.620.941.22
SM 29:1; [M]+@3.95ME2067280.640.781.062.370.680.350.190.612.090.30
lysoPC 20:3; [M+Na]+@1.45ME2068470.750.360.581.021.100.760.531.312.901.17
TG 53:2; [M+NH4]+@10.73ME2067970.780.800.750.871.140.750.500.842.541.47
PC 44:4; [M+H]+@8.51ME2067250.560.381.061.391.060.850.410.522.281.10
CE(18:1); [M+NH4]+@10.86ME2066810.920.800.741.230.970.740.570.672.730.81
PC 42:8; [M+H]+@6.39ME2067240.660.621.031.090.830.850.610.842.471.05
TG 56:2; [M+NH4]+@11.07ME2068111.140.740.570.871.750.810.360.572.500.99
DG 30:0; [M+NH4]+@7.35ME2066901.490.900.950.541.090.790.260.612.970.97
DG 30:1; [M+NH4]+@6.87ME2066911.700.990.640.601.300.680.260.902.661.03
TG 58:3; [M+NH4]+@11.10ME2068251.340.520.721.971.361.070.490.430.700.49
PE 34:2; [M+H]+@6.36ME2067261.541.411.430.820.820.780.640.640.761.11
PE 37:4; [M+H]+@6.68ME2067271.101.291.500.901.150.510.530.710.641.45
TG 44:2; [M+NH4]+@9.49ME2067671.251.741.010.931.510.700.171.050.750.84
TG 46:2; [M+NH4]+@9.79ME2067701.281.681.180.961.330.670.230.870.710.94
TG 46:0; [M+NH4]+@10.27ME2067682.051.481.270.591.470.800.220.830.570.73
TG 46:1; [M+NH4]+@10.03ME2067691.801.731.210.741.380.700.260.840.520.85
CE(22:6); [M+NH4]+@10.43ME2066890.850.581.041.020.960.971.511.150.871.00
plasmenyl-PC 44:4; [M+Na]+@8.24ME2068550.940.871.200.920.910.901.480.721.180.86
DG 38:4; [M+NH4]+@7.92ME2067120.500.541.391.570.800.900.940.711.050.81
CE(20:4); [M+NH4]+@10.49ME2066850.790.521.141.360.910.891.130.930.940.98
CE(22:4); [M+NH4]+@10.82ME2066870.700.651.091.590.930.780.970.731.100.93
DG 35:1; [M+NH4]+@8.17ME2067010.790.831.211.240.971.131.180.500.760.89
CE(22:5); [M+NH4]+@10.64ME2066880.880.671.211.161.080.691.350.900.820.97
SM 37:2; [M]+@6.36ME2067440.780.901.211.301.080.781.020.820.670.99
SM 41:5; [M]+@6.65ME2067540.690.891.081.201.250.691.230.730.851.13
DG 36:1; [M+NH4]+@8.44ME2067041.281.061.011.080.941.010.831.030.970.71
SM 36:1; [M+Na]+@6.55ME2067400.971.241.140.940.771.110.871.100.860.97
SM 42:5; [M]+@6.50ME2067580.971.171.081.120.831.160.940.910.880.74
TG 50:1; [M+NH4]+@10.52ME2067791.441.150.981.110.831.041.180.720.790.74
TG 54:1; [M+NH4]+@11.04ME2068021.330.900.931.340.801.170.860.720.960.72
TG 48:2; [M+NH4]+@10.06ME2067731.271.251.141.470.790.860.650.770.710.66
TG 48:3; [M+NH4]+@9.84ME2067740.961.211.151.800.680.800.580.760.760.63
SM 30:0; [M]+@4.64ME2067290.851.391.271.260.890.660.681.040.820.83
SM 31:1; [M]+@4.74ME2067310.781.081.471.350.820.530.681.110.830.86
SM 33:2; [M]+@5.01ME2067350.800.951.471.160.940.730.721.150.770.82
CE(18:3); [M+NH4]+@10.44ME2066831.250.801.121.341.110.700.721.060.890.63
SM 32:2; [M+Na]+@4.45ME2067330.900.881.211.630.870.550.761.070.830.74
CE(16:1); [M+NH4]+@10.64ME2066781.570.641.061.750.561.041.060.630.530.52
PC 30:0; [M+Na]+@5.98ME2067211.280.831.011.570.671.111.280.510.700.56
DG 34:4; [M+NH4]+@6.77ME2067000.840.711.411.700.730.920.590.820.710.62
TG 52:6; [M+NH4]+@9.77ME2067930.560.531.162.110.640.810.810.990.840.55
SM 35:2; [M+Na]+@5.66ME2067390.530.941.101.870.450.841.710.560.840.53
CE(17:1); [M+NH4]+@10.81ME2066790.700.731.111.860.711.051.110.320.660.89
SM 40:2; [M]+@6.75ME2067490.610.601.322.050.650.820.970.450.770.66
SM 39:2; [M]+@6.98ME2067470.680.781.202.220.390.771.320.480.580.57
TG 58:7; [M+NH4]+@10.48ME2068290.660.431.032.060.561.051.320.670.740.58
SM 38:1; [M]+@8.05ME2067450.671.071.041.790.571.020.790.610.950.87
SM 33:1; [M+Na]+@5.51ME2067340.710.771.281.670.490.981.360.550.730.77
SM 39:1; [M+Na]+@7.50ME2067460.800.771.051.730.471.271.090.560.710.89
SM 40:1; [M+Na]+@7.68ME2067480.950.711.041.560.481.221.200.670.810.89
DG 33:1; [M+NH4]+@7.77ME2066960.740.971.300.751.640.670.770.620.801.53
TG 53:0; [M+NH4]+@11.13ME2067950.620.750.980.731.620.820.611.120.812.02
TG 51:1; [M+NH4]+@10.69ME2067840.910.810.940.571.620.840.391.041.181.94
TG 52:0; [M+NH4]+@11.02ME2067871.220.950.840.621.600.800.271.131.171.74
TG 54:0; [M+NH4]+@11.25ME2068011.310.980.910.611.500.860.321.011.131.68
TG 58:1; [M+NH4]+@11.51ME2068201.450.850.790.931.241.180.501.231.030.87
DG 33:0; [M+NH4]+@8.06ME2066951.140.871.060.711.510.730.971.070.631.41
DG 35:2; [M+NH4]+@7.79ME2067020.860.881.250.671.330.830.601.290.941.35
DG 32:1; [M+NH4]+@7.44ME2066931.130.831.270.581.700.730.331.220.811.35
TG 48:1; [M+NH4]+@10.28ME2067721.171.121.020.671.670.790.261.121.081.17
DG 34:0; [M+NH4]+@8.38ME2066971.490.980.920.651.560.950.401.160.841.24
TG 50:0; [M+NH4]+@10.75ME2067781.331.091.030.571.570.920.321.120.861.35
DG 32:0; [M+NH4]+@7.88ME2066921.381.051.210.561.540.820.510.970.801.21
TG 48:0; [M+NH4]+@10.53ME2067711.381.181.130.541.600.940.291.090.841.08
TG 51:2; [M+NH4]+@10.50ME2067851.001.151.100.791.280.810.681.050.911.31
TG 50:2; [M+NH4]+@10.30ME2067801.131.051.090.861.380.860.531.001.021.02
TG 52:1; [M+NH4]+@10.76ME2067881.291.140.940.771.300.820.611.101.051.19
TG 49:1; [M+NH4]+@10.46ME2067761.401.381.310.651.150.750.640.930.811.06
TG 49:2; [M+NH4]+@10.23ME2067771.171.301.220.901.200.730.560.930.701.19
lysoPC 24:0; [M+H]+@5.11ME2068530.750.750.981.431.150.740.670.831.151.19
TG 53:4; [M+NH4]+@10.34ME2067990.600.811.001.171.070.760.811.101.201.39
TG 53:5; [M+NH4]+@10.14ME2068000.520.861.101.291.030.760.750.901.251.26
lysoPC 17:1; [M+H]+@1.49ME2068390.920.540.931.081.090.721.031.230.961.58
lysoPC 19:0; [M+H]+@2.86ME2068440.950.800.981.111.060.770.920.990.941.47
lysoPC 20:0; [M+H]+@3.31ME2068450.800.660.821.520.920.620.841.111.001.60
lysoPC 18:2; [M+H]+@1.33ME2068420.820.810.681.251.050.780.831.081.371.48
lysoPC 20:5; [M+H]+@1.05ME2068490.770.620.741.281.190.750.831.101.351.37
lysoPC 20:1; [M+H]+@2.52ME2068460.590.650.811.191.180.600.861.191.321.71
lysoPC 16:1; [M+H]+@1.29ME2068380.740.710.891.231.090.760.791.140.891.71
lysoPC 15:0; [M+H]+@1.26ME2068360.770.720.901.211.010.630.851.181.211.59
lysoPC 18:1; [M+H]+@1.74ME2068410.660.690.851.251.080.760.931.061.101.59
plasmenyl-PC 18:0; [M+Na]+@1.80ME2068540.660.550.871.281.110.770.871.131.161.53
lysoPC 16:0; [M+H]+@1.57ME2068370.780.670.791.111.170.750.891.261.101.64
lysoPC 18:0; [M+H]+@2.38ME2068400.780.610.861.211.040.710.831.431.101.50
lysoPC 20:4; [M+Na]+@1.42ME2068480.630.430.751.171.440.830.581.131.321.65
lysoPC 22:4; [M+H]+@1.83ME2068500.840.710.780.971.220.840.681.131.101.97
lysoPC 14:0; [M+H]+@1.06ME2068350.900.680.741.121.210.600.411.491.391.67
lysoPC 22:6; [M+H]+@1.34ME2068520.810.400.741.001.190.900.801.621.221.52
SM 37:0; [M]+@6.83ME2067420.691.091.140.951.000.831.140.761.011.39
SM 37:1; [M]+@6.85ME2067430.801.021.151.041.030.831.010.920.991.08
SM 43:2; [M]+@8.17ME2067600.571.081.210.971.140.831.060.930.911.16
TG 54:3; [M+NH4]+@10.62ME2068040.751.240.951.021.160.930.740.871.121.23
TG 51:3; [M+NH4]+@10.29ME2067860.731.011.030.970.980.850.871.061.191.39
TG 53:3; [M+NH4]+@10.52ME2067980.621.131.051.021.150.760.740.981.061.44
SM 44:2; [M]+@8.21ME2067620.620.891.041.131.360.870.901.020.950.94
SM 34:2; [M]+@5.23ME2067370.860.931.061.241.170.790.731.061.030.84
SM 41:2; [M]+@7.31ME2067520.810.951.171.231.270.730.620.970.940.91
DG 36:0; [M+NH4]+@8.84ME2067031.100.900.990.831.220.871.111.250.870.99
MG 17:0; [M+Li]+@3.18ME2067201.000.970.980.971.150.851.001.140.961.03
CE(18:2); [M+NH4]+@10.71ME2066821.031.020.961.120.910.881.061.031.060.95
SM 34:1; [M]+@5.77ME2067360.940.911.021.091.190.880.800.981.110.93
SM 36:2; [M]+@5.96ME2067410.851.040.931.091.170.851.000.991.041.01
plasmenyl-PE 36:2; [M+H]+@7.27ME2068571.021.251.061.111.070.740.690.960.971.05
SM 41:1; [M+Na]+@8.00ME2067510.961.131.021.071.030.940.781.050.881.08
TG 50:3; [M+NH4]+@10.10ME2067810.881.111.070.981.110.810.621.141.071.19
TG 52:2; [M+NH4]+@10.55ME2067890.991.080.980.851.100.970.811.081.141.16
SM 42:1; [M]+@8.19ME2067551.080.910.911.181.180.900.580.991.131.01
CE(20:3); [M+NH4]+@10.70ME2066841.000.781.211.221.080.740.760.870.931.05
plasmenyl-PE 40:5; [M+H]+@7.43ME2068591.130.931.051.041.040.760.801.041.071.17
plasmenyl-PE 36:4; [M+H]+@6.63ME2068580.830.761.081.131.140.800.761.111.121.08
SM 44:1; [M]+@8.73ME2067610.910.851.161.071.080.800.711.160.941.15
SM 42:4; [M]+@6.86ME2067570.850.971.251.200.850.841.170.960.860.74
plasmenyl-PE 34:2; [M+H]+@6.72ME2068560.851.121.081.280.970.751.000.781.020.94
SM 35:1; [M]+@5.76ME2067380.871.090.931.300.930.810.821.081.110.97
SM 32:1; [M]+@5.08ME2067320.831.191.171.210.900.760.771.011.010.94
SM 40:4; [M]+@6.31ME2067500.851.071.131.250.810.850.810.991.160.87
TG 56:3; [M+NH4]+@10.87ME2068120.801.080.841.131.460.820.550.761.171.28
DG 38:2; [M+NH4]+@8.52ME2067100.810.941.010.851.650.720.550.990.961.49
TG 53:1; [M+NH4]+@10.91ME2067960.811.041.040.991.310.700.520.951.071.53
SM 30:1; [M+Na]+@4.37ME2067300.780.941.021.491.110.690.341.141.120.95
TG 50:4; [M+NH4]+@9.89ME2067820.700.881.041.171.410.750.411.171.081.07
TG 50:5; [M+NH4]+@9.70ME2067830.660.931.121.191.250.740.421.391.050.97
lysoPC 22:5; [M+H]+@1.46ME2068510.860.610.800.961.570.850.611.131.261.39
TG 58:6; [M+NH4]+@10.57ME2068280.680.700.950.931.530.930.411.241.331.20
DG 38:3; [M+NH4]+@8.14ME2067110.600.781.180.831.470.920.541.001.141.34
DG 38:1; [M+NH4]+@8.77ME2067090.740.970.990.831.350.860.611.221.241.25
TG 55:3; [M+NH4]+@10.75ME2068100.760.940.910.901.400.870.581.121.181.40
SM 41:4; [M]+@6.58ME2067530.710.961.020.981.290.800.790.831.521.03
lysoPC 18:3; [M+H]+@1.09ME2068430.880.720.941.101.290.750.701.341.121.10
SM 43:1; [M+Na]+@8.41ME2067590.610.751.031.081.460.990.490.881.291.08
SM 42:2; [M]+@7.64ME2067560.830.901.071.001.410.830.691.031.120.95
TG 56:5; [M+NH4]+@10.53ME2068140.780.791.051.081.430.870.610.901.171.04
TG 56:6; [M+NH4]+@10.34ME2068150.800.681.011.081.370.900.691.061.210.97
TG 52:5; [M+NH4]+@10.00ME2067920.600.740.991.151.430.790.511.241.261.04
TG 54:6; [M+NH4]+@10.06ME2068070.610.690.931.171.410.810.591.301.360.92
TG 54:4; [M+NH4]+@10.41ME2068050.700.970.831.171.320.830.641.031.401.06
TG 54:5; [M+NH4]+@10.20ME2068060.640.840.871.201.330.820.611.091.411.05
TG 52:3; [M+NH4]+@10.37ME2067900.870.930.920.991.250.840.751.101.311.07
TG 52:4; [M+NH4]+@10.18ME2067910.730.900.941.061.270.850.651.191.291.10
DG 38:5; [M+NH4]+@7.54ME2067130.670.631.190.762.040.740.360.891.151.23
TG 58:4; [M+NH4]+@10.89ME2068260.840.680.910.952.060.810.450.751.241.00
TG 58:5; [M+NH4]+@10.77ME2068270.810.631.170.961.810.760.440.811.161.04
DG 36:2; [M+NH4]+@8.06ME2067050.630.960.900.691.510.740.601.181.431.65
TG 54:2; [M+NH4]+@10.82ME2068030.730.990.750.751.540.880.401.041.541.68
DG 36:3; [M+NH4]+@7.63ME2067060.510.740.890.871.480.800.511.221.681.42
TG 56:4; [M+NH4]+@10.70ME2068130.610.750.910.881.650.860.370.891.561.48
DG 40:5; [M+NH4]+@8.00ME2067160.550.501.170.731.930.660.541.151.061.50
DG 32:2; [M+NH4]+@7.02ME2066940.580.710.960.781.930.640.251.531.251.36
DG 34:2; [M+NH4]+@7.52ME2066980.740.741.080.651.720.800.411.291.181.40
DG 36:4; [M+NH4]+@7.28ME2067070.540.770.871.041.320.760.551.571.431.20
DG 38:6; [M+NH4]+@7.21ME2067140.480.561.140.841.600.890.531.561.151.02
DG 40:6; [M+NH4]+@7.65ME2067170.640.471.170.811.620.760.531.371.271.19
DG 34:3; [M+NH4]+@7.13ME2066990.670.681.100.871.550.740.361.571.041.31
DG 36:5; [M+NH4]+@6.94ME2067080.630.621.081.141.490.630.401.341.091.30
CE(18:0); [M+NH4]+@11.26ME2066800.820.871.421.140.880.670.521.640.601.10
DG 40:7; [M+NH4]+@7.40ME2067180.610.351.100.671.960.930.481.721.120.86
TG 54:8; [M+NH4]+@9.68ME2068090.500.441.011.231.750.770.451.730.960.68
PC 40:9; [M+H]+@5.41ME2067230.730.550.871.620.830.870.561.441.350.84
TG 60:11; [M+NH4]+@10.08ME2068320.670.411.101.071.081.241.371.500.650.59
TG 58:10; [M+NH4]+@9.90ME2068210.610.401.111.101.161.111.021.580.870.68
TG 58:9; [M+NH4]+@10.11ME2068310.630.501.121.201.030.981.101.470.840.80
DG 42:10; [M+NH4]+@7.05ME2067190.550.450.961.191.110.900.951.281.351.10
TG 52:7; [M+NH4]+@9.59ME2067940.590.671.101.231.270.850.481.750.880.78
TG 54:7; [M+NH4]+@9.89ME2068080.550.540.921.301.310.800.641.591.190.88
TG 56:8; [M+NH4]+@10.01ME2068170.600.480.981.031.281.020.871.691.080.81
TG 56:7; [M+NH4]+@10.19ME2068160.730.580.971.001.341.030.781.441.130.85
TG 58:8; [M+NH4]+@10.24ME2068300.700.501.041.111.271.030.751.391.120.79
TG 49:0; [M+NH4]+@10.67ME2067751.641.291.200.541.140.700.370.811.700.96
CE(16:0); [M+NH4]+@10.92ME2066771.091.040.721.350.761.000.760.871.630.84
PC 33:3; [M+H]+@5.50ME2067221.160.711.041.380.850.810.380.851.790.77
TG 56:9; [M+NH4]+@9.81ME2068180.470.281.012.190.460.901.731.020.640.44
DG 38:7; [M+NH4]+@6.80ME2067150.440.361.090.731.510.970.412.881.000.57
TG 58:12; [M+NH4]+@9.57ME2068230.340.220.751.460.830.891.552.950.450.48
TG 60:13; [M+NH4]+@9.66ME2068340.390.160.851.230.701.122.252.700.410.21
TG 60:12; [M+NH4]+@9.87ME2068330.450.280.921.310.911.141.731.790.650.57
TG 57:9; [M+NH4]+@9.96ME2068190.470.421.120.961.271.000.932.230.620.76
TG 58:11; [M+NH4]+@9.75ME2068220.550.280.951.250.911.111.272.330.660.46

Factors:

F1Gender:female | Glycemic status:Diabetic | Neuropathy:Neuropathy
F2Gender:female | Glycemic status:Diabetic | Neuropathy:no neuropathy
F3Gender:female | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy
F4Gender:female | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy
F5Gender:male | Glycemic status:Diabetic | Neuropathy:Neuropathy
F6Gender:male | Glycemic status:Diabetic | Neuropathy:no neuropathy
F7Gender:male | Glycemic status:Normoglycemic | Neuropathy:Neuropathy
F8Gender:male | Glycemic status:Normoglycemic | Neuropathy:no neuropathy
F9Gender:male | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy
F10Gender:male | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy
Data matrix
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