Clustering data with hclust algorithm for (Study ST000987)

(Analysis AN001613)
MetaboliteStructureF1F2F3F4F5F6F7F8F9
DG (36:3) [M+K]+ME2446530.660.891.460.911.780.640.321.010.51
PE (p-40:4) or PE (o-40:5) A [M+H]+ME244801NA0.890.970.610.902.92NA0.45NA
CE (16:0) [2M+Na]+ME2445311.330.970.901.060.801.031.430.970.78
CE (22:6) [M+Na]+ME2445941.191.000.991.310.901.020.610.730.60
PC (32:2) [M+H]+ME2447070.931.011.101.011.001.040.561.030.84
PE (38:4) [M+H]+ME2447930.811.101.000.871.171.070.501.160.81
PC (34:2) [M+H]+ME2447130.891.061.090.971.031.030.811.070.78
CE (18:3) [M+NH4]+ME2445571.091.040.941.090.931.120.831.100.45
LPC (16:0) [M+H]+ME2446861.001.080.971.021.060.961.141.050.73
PC (40:6) B [M+H]+ME2447560.971.041.070.991.030.960.601.130.77
CE (18:3) [M+Na]+ME2445581.251.141.131.111.031.040.390.550.28
PC (o-34:0) [M+H]+ME2447620.931.350.971.080.131.68NA0.730.19
Cer (d42:2) A [M+H]+ME2446170.951.411.260.870.680.940.621.36NA
LPC (18:0) [M+H]+ME2446881.041.080.971.061.000.971.151.030.68
PC (p-38:6) or PC (o-38:7) [M+H]+ME2447781.021.051.050.970.990.960.481.220.72
SM (d40:1) [M+H]+ME2448201.031.091.080.981.020.970.781.040.69
1_CE (22:1) [M+Chol-head -H2O+H]+ ISTDME2444830.981.111.071.140.921.011.251.050.40
PC (p-38:3) or PC (o-38:4) B [M+H]+ME2447731.041.091.080.990.990.970.731.050.67
CE (20:4) [M+Na]+ME2445761.391.071.141.270.810.781.270.800.38
1_MG (17:0/0:0/0:0) [M+H]+ ISTDME2445001.001.031.090.930.980.921.031.100.96
SM (d42:1) [M+H]+ME2448260.981.101.091.020.991.010.541.040.63
1_LPE (17:1) [M+H]+ ISTDME2444991.001.061.050.991.000.981.011.030.82
SM (d41:2) A [M+H]+ME2448240.921.370.721.481.010.81NA1.400.28
Cer (d42:1) [M+Na]+ME2446160.961.031.190.930.960.960.831.040.93
DG (36:5) [M+NH4]+ME2446270.350.370.300.351.551.960.420.780.71
CE (20:5) [Chol-head -H2O+H]+ME2445861.011.101.050.951.171.190.190.730.55
1_Cer (d18:1/17:0) [M+H]+ ISTDME2444871.021.051.071.030.990.961.031.000.75
CE (18:3) [2M+Na]+ME2445611.230.760.971.110.891.32NA0.830.57
PC (35:2) B [M+H]+ME2447200.931.091.110.931.061.050.511.040.70
SM (d36:2) [M+H]+ME2448141.001.051.080.971.021.000.741.070.69
PC (p-38:5) or PC (o-38:6) B [M+H]+ME2447771.031.121.090.920.951.030.781.120.62
1_Cer (d18:1/17:0) [M+H-H2O]+ ISTDME2444881.001.061.080.950.970.921.061.001.05
1_CE (22:1) [2M+NH4]+ ISTDME2444841.061.001.041.040.981.001.090.980.76
PE (p-38:5) or PE (o-38:6) [M+H]+ME2448000.890.950.991.081.081.070.871.090.73
1_DG (12:0/12:0/0:0) [M+NH4]+ ISTDME2444921.021.051.050.991.000.981.001.020.78
PC (37:4) [M+H]+ME2447361.021.151.101.001.001.010.440.980.60
1_PC (12:0/13:0) [M+H]+ ISTDME2445021.001.011.080.980.961.001.121.020.90
PE (36:4) [M+H]+ME2447921.001.231.020.911.060.940.201.130.65
PC (p-40:3) or PC (o-40:4) [M+H]+ME2447791.021.111.181.070.901.040.610.910.58
Cer (d42:2) B [M+H]+ME2446200.761.081.351.170.621.280.411.250.41
PC (38:6) B [M+H]+ME2447480.971.040.981.001.051.020.571.130.75
CE (20:4) [M+NH4]+ME2445751.161.071.091.090.930.900.950.970.62
DG (34:1) [M+Na]+ME2446580.811.221.140.840.951.080.591.180.79
PC (38:4) A [M+H]+ME2447420.941.280.951.040.951.030.430.950.81
DG (36:3) [M+Na]+ME2446520.791.191.200.871.001.040.571.090.79
PC (p-42:4) or PC (o-42:5) [M+H]+ME2447850.991.141.160.921.050.930.771.020.63
1_Cer (d18:1/17:0) [M+Na]+ ISTDME2444891.021.021.031.030.980.981.071.020.84
DG (32:1) [M+Na]+ME2446461.080.481.610.940.601.95NA0.420.88
PC (34:0) [M+H]+ME2447111.021.041.010.991.011.030.571.070.74
PE (p-36:2) or PE (o-36:3) [M+H]+ME2447971.001.310.590.770.811.16NA1.020.79
PC (33:1) [M+H]+ME2447091.001.041.070.991.040.970.491.060.77
CE (18:1) [M+NH4]+ME2445451.151.011.021.110.951.011.000.930.62
CE (18:2) [Chol-head -H2O+H]+ME2445561.111.021.031.090.970.951.040.960.68
1_DG (18:1/2:0/0:0) [M+K]+ ISTDME2444970.910.980.981.050.911.010.981.041.26
DG (36:2) [M+Na]+ME2446610.921.261.130.930.980.910.491.030.86
DG (36:2) [M+NH4]+ME2446600.871.281.240.870.910.880.551.160.81
PE (p-38:4) or PE (o-38:5) [M+H]+ME2447991.141.211.150.730.910.792.131.300.60
PC (36:3) A [M+H]+ME2447251.031.141.360.910.980.860.611.030.50
PE (p-40:4) or PE (o-40:5) B [M+H]+ME2448021.240.960.370.870.562.71NA1.080.23
SM (d32:1) [M+H]+ME2448061.011.061.090.971.021.010.561.000.76
PC (34:3) A [M+H]+ME2447140.981.081.240.981.090.950.401.050.42
PC (p-38:5) or PC (o-38:6) A [M+H]+ME2447760.951.041.031.021.011.010.721.160.68
PC (36:1) [M+H]+ME2447230.971.091.100.961.020.980.761.070.70
CE (18:2) [2M+Na]+ME2445551.141.051.011.110.951.011.080.890.60
PC (38:5) A [M+H]+ME2447451.001.071.081.001.031.020.731.030.59
PC (p-36:4) or PC (o-36:5) [M+H]+ME2447701.001.091.080.990.990.990.751.070.68
1_DG (12:0/12:0/0:0) [M+K]+ ISTDME2444940.941.031.071.001.091.021.130.950.75
Cer (d40:1) [M+H]+ME2446080.931.191.080.900.940.950.781.021.02
Cer (d41:1) [M+H]+ME2446111.001.361.220.980.790.960.710.840.71
1_CE (22:1) [2M+Na]+ ISTDME2444851.041.021.031.050.990.981.140.980.75
PE (38:6) [M+H]+ME2447941.081.070.821.041.110.980.301.300.44
PC (36:2) [M+H]+ME2447240.931.081.110.941.031.040.751.060.72
Cholesterol [M-H2O+H]+ME2446231.021.051.041.011.010.981.021.000.80
PC (28:0) [M+H]+ME2447010.590.751.420.551.101.68NA0.930.84
PC (40:4) [M+H]+ME2447520.971.081.030.951.001.021.111.050.83
1_CE (22:1) [M+NH4]+ ISTDME2444811.051.031.041.050.980.981.090.980.77
CE (16:1) [M+NH4]+ME2445331.061.011.011.060.931.040.871.140.61
1_CE (22:1) [Chol-head -H2O+H]+ ISTDME2444861.051.021.011.040.990.971.091.000.82
1_CE (22:1) [M+Na]+ ISTDME2444821.111.031.020.971.000.971.180.980.82
SM (d33:1) [M+H]+ME2448081.001.041.081.001.011.010.641.050.72
DG (34:1) [M+NH4]+ME2446570.691.411.221.130.891.030.140.840.54
PC (p-42:5) or PC (o-42:6) A [M+H]+ME2447861.130.990.980.981.081.071.270.780.61
DG (36:4) A [M+NH4]+ME2446360.681.171.350.731.131.140.450.860.98
PC (33:0) [M+H]+ME2447081.161.021.260.821.001.000.371.020.60
PC (p-32:1) or PC (o-32:2) [M+H]+ME2447630.980.951.061.091.181.020.790.780.46
PC (40:7) A [M+H]+ME2447571.081.141.171.090.900.860.760.920.73
PC (40:7) B [M+H]+ME2447581.011.121.090.961.021.020.581.030.60
CE (18:1) [M+Chol-head -H2O+H]+ME2445471.131.000.931.210.831.020.671.160.57
LPE (22:3) [M+H]+ME2446991.050.950.950.880.910.810.791.051.94
1_CUDA [M+H]+ ISTDME2444911.021.031.041.021.020.981.040.980.80
PC (o-32:0) [M+H]+ME2447610.991.091.041.071.031.000.811.050.51
PE (p-36:4) or PE (o-36:5) [M+H]+ME2447980.921.071.080.961.041.020.641.250.53
SM (d40:2) A [M+H]+ME2448210.890.970.651.111.101.140.391.370.81
PC (p-38:4) or PC (o-38:5) A [M+H]+ME2447741.041.061.051.011.011.030.711.010.64
SM (d40:2) B [M+H]+ME2448221.021.101.090.971.000.960.751.040.72
Hex2Cer (d34:1) [M-H2O+H]+ME2446732.360.420.460.17NA0.23NANANA
1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ME2445061.021.041.061.051.020.951.050.940.80
LPC (16:1) [M+H]+ME2446871.100.880.871.091.160.891.571.060.79
SM (d32:2) [M+H]+ME2448070.881.110.991.031.071.160.800.830.79
DG (34:2) [M+Na]+ME2446490.831.290.990.721.050.970.831.101.23
PC (40:6) A [M+H]+ME2447550.971.121.090.990.831.151.040.820.97
PE (36:2) [M+H]+ME2447910.551.411.190.601.301.080.551.100.68
SM (d34:1) [M+H]+ME2448100.991.081.070.981.001.010.801.070.70
PC (p-38:3) or PC (o-38:4) A [M+H]+ME2447720.801.331.480.900.640.980.461.080.79
PC (p-36:5) or PC (o-36:6) [M+H]+ME2447711.061.070.841.101.110.970.421.270.37
PC (p-44:4) or PC (o-44:5) [M+H]+ME2447880.941.081.080.961.091.000.631.030.73
SM (d40:0) [M+H]+ME2448191.061.050.951.011.111.060.560.870.75
CE (20:4) [2M+NH4]+ME2445781.141.071.091.110.960.910.750.950.57
CE (20:4) [2M+Na]+ME2445791.291.061.061.240.830.841.230.860.55
PC (39:4) [M+H]+ME2447510.592.890.690.850.420.44NA0.590.32
PC (40:5) B [M+H]+ME2447540.991.041.080.940.960.991.001.050.94
PC (40:8) [M+H]+ME2447591.070.951.170.971.020.930.531.060.80
CE (16:0) [Chol-head -H2O+H]+ME2445321.151.011.021.080.950.981.000.940.71
1_Sphingosine (d17:1) [M+H]+ ISTDME2445051.061.061.030.991.010.981.060.950.78
PC (35:2) A [M+H]+ME2447190.831.601.040.970.781.230.140.910.37
PC (36:6) [M+H]+ME2447340.781.140.980.961.081.080.730.921.13
SM (d39:1) [M+H]+ME2448181.011.091.070.981.001.030.481.010.72
PC (p-34:1) or PC (o-34:2) [M+H]+ME2447650.951.041.011.021.061.050.931.090.61
PC (38:7) [M+H]+ME2447500.901.211.210.991.061.110.300.730.55
PC (p-36:2) or PC (o-36:3) [M+H]+ME2447690.901.021.050.951.091.020.671.090.86
CE (18:1) [2M+Na]+ME2445491.270.901.011.120.931.031.320.920.51
CE (18:3) [2M+NH4]+ME2445601.130.651.180.371.490.97NANA0.24
CE (22:6) [M+NH4]+ME2445931.011.101.070.961.040.980.571.070.67
CE (16:0) [2M+NH4]+ME2445301.160.980.991.120.911.020.900.990.66
CE (20:5) [2M+Na]+ME244585NA0.840.450.972.481.92NANANA
PC (36:5) D [M+H]+ME2447330.901.000.971.041.071.050.641.180.70
PC (p-40:4) or PC (o-40:5) [M+H]+ME2447801.031.011.071.041.011.050.701.070.50
PC (38:2) [M+H]+ME2447400.931.121.030.900.991.011.131.060.93
PC (38:5) B [M+H]+ME2447460.951.011.040.991.061.060.811.140.58
Cer (d42:2) B [M+Na]+ME2446221.231.550.810.750.830.81NA1.020.51
LPC (18:2) [M+H]+ME2446900.911.111.001.001.101.030.671.050.66
PC (38:3) [M+H]+ME2447410.971.031.080.961.001.020.771.050.86
1_SM (d18:1/17:0) [M+H]+ ISTDME2445041.031.061.031.020.990.980.891.020.81
CE (22:2) [Chol-head -H2O+H]+ME2445921.001.131.191.070.970.871.400.990.57
PC (34:1) [M+H]+ME2447120.981.061.060.991.011.000.811.060.74
PC (34:3) B [M+H]+ME2447151.001.091.061.001.000.930.741.090.78
PC (36:4) B [M+H]+ME2447280.830.930.840.851.011.250.921.311.12
CE (18:2) [M+Na]+ME2445521.240.981.021.170.980.971.200.850.44
1_DG (12:0/12:0/0:0) [M+Na]+ ISTDME2444931.011.031.021.011.001.001.081.010.83
PC (35:4) [M+H]+ME2447220.991.111.150.960.981.000.431.030.70
PC (37:5) [M+H]+ME2447370.961.061.060.961.081.180.600.930.51
PC (38:4) C [M+H]+ME2447441.001.071.070.981.011.000.821.000.76
PC (p-40:6) or PC (o-40:7) B [M+H]+ME2447831.040.910.811.121.171.170.320.980.64
DG (36:3) [M+NH4]+ME2446510.781.171.250.801.011.040.571.040.93
LPC (20:3) [M+H]+ME2446921.091.100.971.070.970.850.751.200.66
PC (34:4) [M+H]+ME2447170.881.051.100.850.991.070.561.031.20
PC (36:5) A [M+H]+ME2447300.971.111.221.440.680.730.591.030.67
CE (18:2) [M+NH4]+ME2445511.151.051.041.060.960.961.020.950.62
PC (32:0) [M+H]+ME2447050.991.071.051.000.971.060.791.070.65
PC (36:4) A [M+H]+ME2447270.901.031.110.991.061.070.630.990.76
CE (18:3) [Chol-head -H2O+H]+ME2445620.821.001.111.140.981.050.411.080.77
Hex2Cer (d34:1) [M+H]+ME2446721.001.061.060.981.001.000.851.060.73
Cer (d42:2) A [M+Na]+ME2446191.061.071.130.910.991.010.651.070.69
CE (20:3) [M+NH4]+ME2445691.310.850.951.230.950.971.440.790.69
Hex2Cer (d34:1) [M+Na]+ME2446741.111.120.981.071.230.920.660.850.43
PC (p-34:2) or PC (o-34:3) [M+H]+ME2447660.961.081.070.941.041.040.711.090.64
PC (37:6) [M+H]+ME2447380.960.971.110.780.931.090.401.221.14
PC (30:0) [M+H]+ME2447021.031.041.071.000.981.010.651.010.78
PC (31:0) [M+H]+ME2447031.081.131.051.061.000.930.591.040.54
PC (36:3) B [M+H]+ME2447260.971.091.080.941.011.050.651.000.79
SM (d41:1) [M+H]+ME2448230.981.081.051.021.021.000.781.060.66
PC (p-36:1) or PC (o-36:2) A [M+H]+ME2447671.011.281.070.951.040.901.001.140.32
CE (20:5) [M+Na]+ME2445821.571.210.791.381.260.790.630.340.28
PC (p-38:4) or PC (o-38:5) B [M+H]+ME2447751.061.111.120.951.030.990.611.050.50
SM (d36:3) [M+H]+ME2448151.060.850.911.440.861.290.550.730.69
CE (16:1) [2M+NH4]+ME2445361.091.070.951.111.001.021.041.020.47
PC (32:1) [M+H]+ME2447060.951.021.011.011.020.991.011.130.79
Cer (d42:1) [M+H]+ME2446141.091.101.090.981.020.980.581.020.57
1_PE (17:0/17:0) [M+H]+ ISTDME2445031.051.041.051.021.010.951.071.010.76
SM (d34:2) [M+H]+ME2448110.971.051.080.970.981.000.771.080.83
CE (18:2) [2M+NH4]+ME2445541.161.031.061.110.950.980.940.920.57
HexCer (d42:1) [M+H]+ME2446780.961.440.721.030.911.21NA0.970.27
1_DG (18:1/2:0/0:0) [M+Na]+ ISTDME2444961.011.031.041.010.980.980.981.040.84
DG (38:6) [M+Na]+ME2446311.171.351.241.050.720.88NA0.680.36
CE (16:0) [M+NH4]+ME2445271.080.910.991.110.961.031.220.880.97
PC (p-40:6) or PC (o-40:7) A [M+H]+ME2447820.981.031.100.991.040.950.531.110.73
1_Cholesterol d7 [M-H2O+H]+ ISTDME2444900.960.961.061.120.861.071.300.970.92
PC (40:5) A [M+H]+ME2447530.971.031.020.991.031.020.831.070.79
CE (20:5) [M+NH4]+ME2445810.991.030.981.051.081.030.521.210.44
SM (d38:1) [M+H]+ME2448161.011.091.070.981.000.980.611.030.77
CE (18:1) [2M+NH4]+ME2445481.200.991.031.130.911.010.910.920.59
SM (d38:2) [M+H]+ME2448171.041.051.100.960.990.960.661.100.72
1_MG (17:0/0:0/0:0) [M+Na]+ ISTDME2445011.071.101.040.991.010.891.040.960.86
LPC (18:1) [M+H]+ME2446891.061.080.971.111.030.930.831.020.65
SM (d30:1) [M+H]+ME2448040.891.031.690.761.290.860.230.690.63
PC (36:4) C [M+H]+ME2447290.971.061.080.971.011.000.791.070.76
PC (36:5) C [M+H]+ME2447320.940.880.910.971.191.350.790.970.40
CE (20:4) [Chol-head -H2O+H]+ME2445801.151.081.091.050.950.910.820.970.66
1_TG d5 (17:0/17:1/17:0) ISTD [M+Na]+ME2445071.051.061.021.090.960.981.180.930.72
CE (18:2) [M+Chol-head -H2O+H]+ME2445531.081.111.121.091.031.031.210.630.59
Cer (d41:1) [M+Na]+ME2446130.981.211.020.991.090.790.430.941.13
PC (33:2) [M+H]+ME2447100.961.071.091.011.031.010.331.060.71
PC (35:1) [M+H]+ME2447181.051.141.130.950.991.010.560.950.63
PC (p-40:5) or PC (o-40:6) [M+H]+ME2447810.960.880.931.151.101.070.491.030.81
SM (d36:0) [M+H]+ME2448120.980.911.061.270.950.771.191.100.95
SM (d41:2) B [M+H]+ME2448250.921.071.121.011.050.980.481.080.67
PC (35:3) [M+H]+ME2447210.741.221.190.831.031.120.331.000.87
SM (d36:1) [M+H]+ME2448130.981.071.080.991.020.970.751.090.68
SM (d34:0) [M+H]+ME2448090.991.051.080.991.030.990.941.140.53
SM (d42:3) [M+H]+ME2448280.991.051.070.991.020.990.791.090.69
SM (d42:2) [M+H]+ME2448271.001.041.061.001.011.010.811.110.65
1_LPC (17:0) [M+H]+ ISTDME2444981.021.031.021.001.010.981.021.010.86
DG (34:2) [M+NH4]+ME2446480.961.311.230.341.261.46NA0.410.92
1_DG (18:1/2:0/0:0) [M+NH4]+ ISTDME2444951.011.051.041.011.001.001.061.010.76
PC (37:2) [M+H]+ME2447350.751.001.200.860.851.130.681.251.12
PC (38:6) A [M+H]+ME2447471.001.071.051.001.001.010.681.000.79
PC (38:4) B [M+H]+ME2447430.961.081.110.930.950.970.961.100.87
PC (38:6) C [M+H]+ME2447490.971.111.130.901.051.090.530.970.63
LPC (20:4) [M+H]+ME2446931.101.040.911.101.030.900.961.050.77
PC (34:3) C [M+H]+ME2447160.510.680.670.591.292.220.541.050.88
DG (36:4) A [M+Na]+ME2446370.471.141.311.080.661.610.130.730.53
PC (38:1) [M+H]+ME2447390.951.320.910.711.121.110.631.180.57

Factors:

F1Phenotype:CF | Collection Time (hours):0-h
F2Phenotype:CF | Collection Time (hours):2-h
F3Phenotype:CF | Collection Time (hours):4-h
F4Phenotype:GF | Collection Time (hours):0-h
F5Phenotype:GF | Collection Time (hours):2-h
F6Phenotype:GF | Collection Time (hours):4-h
F7Phenotype:NIST | Collection Time (hours):NIST
F8Phenotype:QC | Collection Time (hours):QC
F9Phenotype:Rep | Collection Time (hours):Rep
Data matrix
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