Clustering data with hclust algorithm for (Study ST000984)

(Analysis AN001610)
MetaboliteStructureF1F2F3F4F5F6F7F8F9
SM (d34:1) [M+H]+ME2427430.961.031.030.960.991.020.891.110.87
PE (p-40:5) or PE (o-40:6) [M+H]+ME2427360.900.941.020.951.041.200.361.250.65
PE (38:6) [M+H]+ME2427270.901.010.861.061.120.990.561.220.85
PC (39:4) [M+H]+ME2426840.950.981.060.941.041.040.871.080.85
PC (38:6) C [M+H]+ME2426820.831.041.150.901.021.140.581.100.79
Hex2Cer (d34:1) [M+H]+ME2426050.981.041.030.970.981.020.751.110.86
Cer (d40:1) [M+H-H2O]+ME2425420.891.041.080.941.040.980.791.051.06
CE (18:3) [2M+Na]+ME2424941.340.810.801.490.861.121.230.680.50
CE (18:2) [2M+Na]+ME2424881.110.960.991.100.961.021.030.920.83
1_DG (18:1/2:0/0:0) [M+Na]+ ISTDME2424290.991.000.990.990.991.001.071.031.02
1_DG (18:1/2:0/0:0) [M+NH4]+ ISTDME2424281.001.000.990.991.000.991.071.050.99
CE (18:0) [2M+Na]+ME2424761.051.121.080.940.930.950.491.140.77
PC (p-40:6) or PC (o-40:7) B [M+H]+ME2427160.861.061.010.951.081.070.601.130.82
CE (16:0) [Chol-head -H2O+H]+ME2424651.070.991.011.030.951.000.871.050.87
PC (36:5) C [M+H]+ME2426650.930.981.041.030.960.980.941.160.94
PE (34:2) [M+H]+ME2427220.671.101.050.761.191.140.641.200.94
PC (p-36:1) or PC (o-36:2) B [M+H]+ME2427010.950.881.091.221.031.091.290.890.52
PC (42:10) [M+H]+ME2426930.940.940.991.021.011.080.651.110.91
PC (37:6) [M+H]+ME2426710.941.031.040.981.031.010.371.120.88
LPC (20:5) [M+H]+ME2426270.990.920.951.191.170.980.720.920.70
LPC (18:2) [M+H]+ME2426230.891.050.961.001.101.060.761.080.78
HexCer (d42:1) [M+H]+ME2426111.000.971.010.971.011.030.821.060.97
Cer (d34:1) [M+H]+ME2425321.071.071.010.851.091.061.131.070.56
1_Cholesterol d7 [M-H2O+H]+ ISTDME2424231.000.991.001.030.980.991.130.981.03
Acylcarnitine (C18:2) [M+H]+ME2424521.010.921.110.920.971.051.270.941.08
1_CE (22:1) [2M+Na]+ ISTDME2424181.001.000.991.001.001.001.011.011.01
PC (37:5) [M+H]+ME2426700.901.011.000.981.031.060.461.170.87
1_PC (12:0/13:0) [M+H]+ ISTDME2424350.991.000.981.010.991.011.051.011.01
PC (34:3) A [M+H]+ME2426470.761.031.080.890.961.071.121.500.67
Acylcarnitine (C10:0) [M+H]+ME2424441.410.861.061.280.810.920.750.690.84
CE (18:2) [M+Chol-head -H2O+H]+ME2424861.051.011.011.030.950.990.881.050.86
HexCer (d40:1) [M+H]+ME2426080.950.991.061.011.020.950.721.051.01
PC (38:4) B [M+H]+ME2426760.931.000.900.971.001.051.071.131.10
LPC (20:4) [M+H]+ME2426261.061.010.891.131.000.921.011.080.88
PC (35:2) B [M+H]+ME2426530.901.061.090.920.981.080.541.090.92
PC (36:2) [M+H]+ME2426570.861.041.070.911.031.100.711.100.89
CE (16:1) [M+Na]+ME2424671.020.950.991.080.940.961.401.190.74
CE (20:5) [M+Na]+ME2425151.230.920.921.460.900.940.680.880.43
SM (d36:0) [M+H]+ME2427450.981.000.960.991.011.011.071.160.85
DG (34:1) [M+Na]+ME2425910.701.161.130.750.981.021.111.151.32
CE (20:3) [Chol-head -H2O+H]+ME2425071.051.001.011.030.961.000.921.030.86
PC (p-38:3) or PC (o-38:4) B [M+H]+ME2427060.991.051.040.970.981.020.721.070.87
PC (36:3) B [M+H]+ME2426590.951.071.060.890.941.000.841.131.05
PC (p-32:1) or PC (o-32:2) [M+H]+ME2426960.961.041.040.951.001.040.881.080.86
DG (38:5) [M+NH4]+ME2425750.881.031.100.930.971.080.491.011.09
SM (d36:2) [M+H]+ME2427470.961.041.020.960.981.020.741.140.88
PC (36:4) A [M+H]+ME2426600.870.981.040.991.041.150.650.990.91
SM (d33:1) [M+H]+ME2427410.971.041.040.970.971.010.591.110.90
SM (d32:0) [M+H]+ME2427380.960.981.041.011.021.030.511.100.88
LPC (16:1) [M+H]+ME2426200.981.000.911.051.020.941.531.130.93
PC (33:1) [M+H]+ME2426420.961.031.020.970.991.010.551.110.95
Cer (d42:2) A [M+Na]+ME2425520.931.010.960.921.011.090.691.141.00
1_DG (12:0/12:0/0:0) [M+Na]+ ISTDME2424260.980.990.991.010.981.001.021.021.06
DG (36:4) B [M+Na]+ME2425730.480.520.510.511.421.980.561.021.18
PC (p-38:4) or PC (o-38:5) B [M+H]+ME2427080.991.061.050.950.981.000.751.110.86
PC (p-36:1) or PC (o-36:2) A [M+H]+ME2427000.961.011.001.011.041.050.881.060.80
PC (40:6) B [M+H]+ME2426890.900.980.980.991.021.050.671.170.96
PC (38:4) A [M+H]+ME2426750.971.031.050.940.941.040.771.061.03
Cer (d42:2) B [M+Na]+ME2425550.981.121.060.910.950.920.661.081.12
LPE (18:2) [M+H]+ME2426300.641.171.050.711.231.130.801.160.91
CE (22:6) [M+Na]+ME2425271.220.890.971.310.900.980.750.860.68
PC (38:4) C [M+H]+ME2426770.931.021.030.950.991.030.781.120.94
PC (o-34:0) [M+H]+ME2426950.990.991.010.981.011.040.681.080.89
PC (34:0) [M+H]+ME2426440.991.001.030.980.991.040.671.070.89
1_CE (22:1) [M+Chol-head -H2O+H]+ ISTDME2424160.991.000.981.000.981.001.051.011.05
CE (18:1) [2M+Na]+ME2424821.150.930.991.120.931.020.980.930.84
PC (p-42:5) or PC (o-42:6) A [M+H]+ME2427190.971.041.040.990.911.030.811.041.03
LPC (18:3) [M+H]+ME2426240.650.700.570.691.262.110.630.960.95
CE (22:2) [2M+Na]+ME2425241.060.991.021.040.930.971.061.030.92
CE (16:1) [2M+Na]+ME2424701.040.950.971.110.930.971.611.150.71
CE (18:3) [M+NH4]+ME2424900.900.970.910.991.021.110.801.131.00
1_LPC (17:0) [M+H]+ ISTDME2424310.991.000.991.000.991.001.081.021.02
1_Cer (d18:1/17:0) [M+Na]+ ISTDME2424220.980.990.981.000.981.001.031.051.06
Cer (d42:1) [M+H]+ME2425470.991.051.040.930.960.990.821.061.05
SM (d36:3) [M+H]+ME2427481.031.061.020.930.960.971.141.080.94
CE (16:1) [M+NH4]+ME2424660.950.980.981.030.970.991.281.210.84
SM (d30:1) [M+H]+ME2427370.931.001.010.990.991.050.561.080.99
Cer (d41:1) [M+H-H2O]+ME2425450.871.081.050.990.990.980.651.101.01
1_DG (18:1/2:0/0:0) [M+K]+ ISTDME2424300.990.990.981.001.011.001.011.031.03
CE (20:4) [M+Na]+ME2425091.301.011.061.250.800.821.280.870.70
CE (20:5) [Chol-head -H2O+H]+ME2425190.781.010.721.131.101.090.741.360.83
PC (32:2) [M+H]+ME2426400.921.001.060.950.981.080.621.021.06
PC (28:0) [M+H]+ME2426340.711.001.080.770.901.290.601.161.33
DG (36:4) A [M+Na]+ME2425700.691.051.060.701.071.250.521.061.36
Cholesterol [M-H2O+H]+ME2425560.981.011.020.980.981.010.871.050.98
CE (18:3) [Chol-head -H2O+H]+ME2424950.861.010.960.921.001.140.901.180.97
1_Sphingosine (d17:1) [M+H]+ ISTDME2424380.980.990.991.010.980.991.171.051.01
CE (16:0) [M+Na]+ME2424611.090.940.991.060.961.011.121.000.88
SM (d34:0) [M+H]+ME2427420.951.011.020.991.001.020.891.120.86
PC (p-36:5) or PC (o-36:6) [M+H]+ME2427040.910.970.941.051.051.050.561.280.67
PC (40:5) B [M+H]+ME2426870.941.011.010.930.981.011.001.081.12
PC (38:6) B [M+H]+ME2426810.920.990.990.991.011.040.601.180.90
PC (38:6) A [M+H]+ME2426800.961.021.010.991.001.030.731.050.96
PC (38:5) A [M+H]+ME2426780.941.021.030.960.991.040.741.100.93
PC (36:6) [M+H]+ME2426670.931.011.030.971.001.030.511.100.99
PC (35:3) [M+H]+ME2426540.901.041.070.940.991.070.571.090.92
PC (34:1) [M+H]+ME2426450.941.001.020.970.991.030.831.130.92
LPE (22:3) [M+H]+ME2426320.991.001.011.020.981.001.010.990.99
DG (36:1) [M+K]+ME2426010.381.451.050.431.321.070.281.421.15
CE (20:4) [M+NH4]+ME2425081.071.051.051.010.930.930.881.070.87
1_DG (12:0/12:0/0:0) [M+K]+ ISTDME2424270.990.980.961.011.001.020.931.011.06
CE (20:3) [M+Na]+ME2425031.420.880.791.080.940.950.930.990.88
PC (40:4) [M+H]+ME2426850.920.981.010.950.981.011.111.101.12
1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ME2424390.951.020.980.971.021.020.951.001.07
Cer (d42:2) A [M+H]+ME2425500.890.990.990.951.031.120.441.110.98
PC (32:0) [M+H]+ME2426380.950.991.030.971.001.060.791.100.90
PC (35:4) [M+H]+ME2426550.961.051.060.950.981.020.491.080.96
CE (18:2) [M+NH4]+ME2424841.070.991.001.050.951.010.921.020.84
HexCer (d42:1) [M+Na]+ME2426130.941.030.981.020.991.030.921.030.99
SM (d32:2) [M+H]+ME2427400.961.020.990.971.001.050.720.991.08
PE (36:4) [M+H]+ME2427250.791.070.990.871.121.030.631.260.95
PC (p-42:2) or PC (o-42:3) [M+H]+ME2427170.961.011.001.051.041.010.850.980.89
PC (35:2) A [M+H]+ME2426521.010.981.080.951.021.060.431.040.84
LPC (16:0) [M+H]+ME2426190.971.030.941.021.040.961.211.090.90
DG (38:5) [M+Na]+ME2425760.831.061.210.910.971.080.770.911.08
DG (36:5) [M+Na]+ME2425610.670.660.690.671.431.730.760.981.22
CE (20:4) [Chol-head -H2O+H]+ME2425131.031.061.040.970.950.950.851.100.91
Cer (d38:1) [M+Na]+ME2425400.981.051.050.960.980.930.641.001.18
SM (d34:2) [M+H]+ME2427440.971.031.020.980.981.010.881.090.92
PC (p-40:4) or PC (o-40:5) [M+H]+ME2427130.981.041.040.990.981.010.741.080.89
PC (40:6) A [M+H]+ME2426881.010.991.030.971.000.990.921.090.91
Cer (d34:1) [M+Na]+ME2425340.881.031.020.870.980.980.881.151.29
LPC (18:1) [M+H]+ME2426221.041.020.941.101.020.950.981.040.80
LPE (18:0) [M+H]+ME2426290.860.971.090.981.050.971.011.190.89
PE (38:4) [M+H]+ME2427260.821.051.010.861.121.060.531.230.91
PC (32:1) [M+H]+ME2426390.910.970.970.981.001.011.101.171.00
PC (31:0) [M+H]+ME2426360.991.041.020.991.011.010.281.080.93
PC (30:0) [M+H]+ME2426350.971.001.010.990.971.040.641.071.03
CE (16:0) [2M+Na]+ME2424641.100.920.991.110.921.011.080.990.86
CE (18:0) [M+Na]+ME2424731.000.991.050.960.971.020.611.150.85
Acylcarnitine (C18:1) [M+H]+ME2424511.131.001.021.150.840.941.170.940.90
CE (22:6) [M+NH4]+ME2425260.861.060.990.891.031.020.611.231.05
PC (38:5) B [M+H]+ME2426790.950.961.021.080.981.070.891.130.68
PC (34:3) C [M+H]+ME2426490.280.330.470.361.502.570.101.311.40
HexCer (d40:1) [M+Na]+ME2426100.990.981.030.981.011.040.861.020.94
CE (22:2) [M+Na]+ME2425211.021.031.021.020.930.970.901.080.93
CE (20:3) [M+NH4]+ME2425021.240.910.951.150.910.961.120.910.85
CE (18:1) [M+Na]+ME2424791.120.930.981.110.931.021.030.950.87
CE (18:2) [M+Na]+ME2424851.080.961.001.080.971.011.020.950.86
PE (p-34:1) or PE (o-34:2) [M+H]+ME2427281.031.000.950.931.031.120.271.110.82
PC (p-36:4) or PC (o-36:5) [M+H]+ME2427030.971.051.030.960.991.000.751.150.84
PC (34:3) B [M+H]+ME2426480.911.000.961.030.931.080.791.111.05
PC (p-36:2) or PC (o-36:3) [M+H]+ME2427020.921.010.991.001.041.070.761.070.86
Cer (d41:1) [M+H]+ME2425440.941.051.030.951.011.010.601.081.00
CE (22:2) [Chol-head -H2O+H]+ME2425251.011.070.981.000.960.920.641.141.04
DG (36:2) [M+NH4]+ME2425930.971.131.180.940.870.941.001.000.97
1_CE (22:1) [M+Na]+ ISTDME2424151.001.000.991.010.990.991.021.011.01
1_LPE (17:1) [M+H]+ ISTDME2424320.991.000.991.000.991.001.071.011.01
Cer (d40:1) [M+Na]+ME2425430.981.061.060.920.960.980.641.071.09
SM (d36:1) [M+H]+ME2427460.971.031.010.970.991.010.771.130.90
PC (36:4) C [M+H]+ME2426620.931.021.030.950.991.040.801.130.94
PC (p-40:3) or PC (o-40:4) [M+H]+ME2427120.981.041.030.970.991.030.691.070.88
DG (36:4) A [M+NH4]+ME2425690.621.071.110.671.101.310.561.061.24
PC (35:1) [M+H]+ME2426510.961.061.060.940.991.010.571.090.92
PC (36:3) A [M+H]+ME2426580.810.991.060.961.031.120.751.130.90
PC (p-44:4) or PC (o-44:5) [M+H]+ME2427210.981.031.030.990.981.010.691.050.97
PC (40:5) A [M+H]+ME2426860.910.980.990.971.011.050.821.121.01
CE (18:1) [M+Chol-head -H2O+H]+ME2424801.071.001.031.020.930.990.831.050.87
LPC (14:0) [M+H]+ME2426170.941.020.940.990.990.971.171.151.06
Acylcarnitine (C8:0) [M+H]+ME2424421.131.120.870.881.181.131.210.281.40
PC (33:0) [M+H]+ME2426410.961.031.040.970.991.010.521.100.96
PE (p-36:2) or PE (o-36:3) [M+H]+ME2427300.941.021.050.981.001.050.831.060.87
Acylcarnitine (C12:0) [M+H]+ME2424461.231.021.051.030.851.041.020.830.83
Cer (d42:1) [M+H-H2O]+ME2425480.961.041.060.950.980.990.761.041.06
DG (34:2) [M+K]+ME2425830.811.031.060.671.051.140.581.051.53
PC (38:3) [M+H]+ME2426740.931.021.030.930.971.030.791.091.10
PC (34:2) [M+H]+ME2426460.881.011.050.941.021.080.771.100.92
PC (o-32:0) [M+H]+ME2426940.951.001.010.991.021.040.821.070.88
PC (33:2) [M+H]+ME2426430.941.041.050.951.011.060.451.070.91
PC (p-38:3) or PC (o-38:4) A [M+H]+ME2427051.021.091.040.840.971.061.180.961.00
Cer (d41:1) [M+Na]+ME2425460.971.041.050.940.980.990.621.111.00
PE (36:1) [M+H]+ME2427230.651.131.140.671.201.120.641.200.96
PE (p-36:4) or PE (o-36:5) [M+H]+ME2427310.930.971.050.941.011.070.611.260.73
PC (p-38:5) or PC (o-38:6) B [M+H]+ME2427100.961.011.010.991.001.020.871.100.88
Cer (d42:1) [M+Na]+ME2425490.971.051.060.950.960.980.771.041.07
PC (p-34:1) or PC (o-34:2) [M+H]+ME2426980.900.970.951.041.051.080.931.140.79
DG (34:2) [M+Na]+ME2425820.791.111.110.770.991.120.801.061.22
CE (18:3) [M+Na]+ME2424911.270.820.831.430.891.081.210.780.55
PC (37:4) [M+H]+ME2426691.011.080.990.970.911.220.501.040.66
PC (p-38:6) or PC (o-38:7) [M+H]+ME2427110.921.000.981.011.041.030.591.200.80
DG (36:2) [M+K]+ME2425951.061.211.220.700.880.790.211.221.22
PE (p-38:5) or PE (o-38:6) [M+H]+ME2427330.930.991.020.981.001.090.631.180.77
1_PE (17:0/17:0) [M+H]+ ISTDME2424360.990.991.001.011.001.011.080.981.02
LPC (18:0) [M+H]+ME2426211.001.020.951.031.010.971.191.060.89
DG (34:1) [M+NH4]+ME2425900.931.101.130.880.891.041.090.991.09
PC (36:1) [M+H]+ME2426560.911.021.040.951.011.050.771.100.92
PC (p-40:6) or PC (o-40:7) A [M+H]+ME2427150.920.991.001.011.031.060.631.150.82
PE (p-38:4) or PE (o-38:5) [M+H]+ME2427320.971.011.080.920.991.060.621.160.77
PC (40:8) [M+H]+ME2426920.871.001.010.991.041.100.681.070.94
CE (16:0) [M+NH4]+ME2424601.060.961.011.040.951.000.991.030.91
DG (36:5) [M+NH4]+ME2425600.600.600.600.601.431.940.581.001.35
LPC (15:0) [M+H]+ME2426180.991.070.950.961.050.980.841.050.97
PC (36:5) A [M+H]+ME2426630.710.840.970.891.081.740.450.810.80
1_MG (17:0/0:0/0:0) [M+Na]+ ISTDME2424340.991.001.021.010.980.991.051.070.91
LPC (22:5) [M+H]+ME2426281.100.940.981.210.950.891.211.080.67
1_Cer (d18:1/17:0) [M+H-H2O]+ ISTDME2424210.991.000.991.010.991.001.060.991.02
LPE (20:4) [M+H]+ME2426310.821.080.900.941.101.010.901.191.05
DG (36:2) [M+Na]+ME2425940.871.181.140.860.940.910.621.111.16
LPC (20:3) [M+H]+ME2426251.041.020.901.110.980.940.881.060.95
1_Cer (d18:1/17:0) [M+H]+ ISTDME2424200.991.001.001.000.991.011.071.011.00
CE (20:5) [M+NH4]+ME2425140.810.940.920.971.111.100.591.350.83
PC (p-40:5) or PC (o-40:6) [M+H]+ME2427140.951.001.010.991.021.030.611.150.84
PE (p-40:4) or PE (o-40:5) B [M+H]+ME2427350.900.971.140.891.031.080.661.150.82
PC (37:2) [M+H]+ME2426680.911.061.050.931.021.060.591.070.92
SM (d32:1) [M+H]+ME2427390.961.031.040.960.991.040.571.080.94
1_CE (22:1) [Chol-head -H2O+H]+ ISTDME2424190.991.000.991.000.991.001.031.021.03
DG (36:3) [M+NH4]+ME2425840.761.161.170.781.001.080.571.051.17
1_SM (d18:1/17:0) [M+H]+ ISTDME2424370.971.021.001.000.991.010.941.050.97
1_CUDA [M+H]+ ISTDME2424240.991.001.011.010.990.991.101.020.99
Cer (d42:2) B [M+H]+ME2425531.060.921.100.781.121.011.370.990.97
Hex2Cer (d34:1) [M+Na]+ME2426070.981.011.050.951.011.000.821.120.87
PC (p-38:4) or PC (o-38:5) A [M+H]+ME2427070.981.031.020.980.991.020.791.090.86
CE (20:4) [2M+Na]+ME2425121.341.011.031.310.780.791.390.810.68
PC (40:7) B [M+H]+ME2426910.941.031.050.971.001.050.581.110.85
1_CE (22:1) [M+NH4]+ ISTDME2424140.991.000.981.010.991.001.021.011.04
1_TG d5 (17:0/17:1/17:0) ISTD [M+Na]+ME2424401.011.001.011.030.961.021.040.960.98
PC (40:7) A [M+H]+ME2426900.891.031.120.810.901.200.491.071.13
PC (36:4) B [M+H]+ME2426610.710.870.620.841.151.480.901.211.28
PC (p-38:5) or PC (o-38:6) A [M+H]+ME2427090.930.990.981.021.041.010.641.200.81
PC (38:2) [M+H]+ME2426730.941.011.020.950.991.030.941.081.03
PC (34:4) [M+H]+ME2426500.941.011.050.930.961.060.691.051.12
DG (36:3) [M+K]+ME2425860.771.161.100.780.991.070.591.081.24
PC (p-34:2) or PC (o-34:3) [M+H]+ME2426990.891.001.001.001.051.090.721.110.82
1_MG (17:0/0:0/0:0) [M+H]+ ISTDME2424330.990.980.991.000.991.001.081.021.02
PC (p-42:4) or PC (o-42:5) [M+H]+ME2427180.960.991.041.011.000.990.811.060.94
PC (38:7) [M+H]+ME2426831.071.111.120.821.030.990.371.230.54
DG (36:3) [M+Na]+ME2425850.731.151.150.750.981.100.511.101.25
PC (38:1) [M+H]+ME2426720.971.031.040.960.991.050.711.040.93
Cer (d40:1) [M+H]+ME2425410.971.051.080.910.990.980.671.051.03
PC (36:5) D [M+H]+ME2426660.850.930.921.051.071.090.641.210.88
CE (18:1) [M+NH4]+ME2424781.100.991.021.040.931.000.871.020.84
PE (36:2) [M+H]+ME2427240.821.071.030.891.121.070.681.110.87
1_DG (12:0/12:0/0:0) [M+NH4]+ ISTDME2424250.981.010.981.000.991.001.061.041.02
PE (p-36:1) or PE (o-36:2) [M+H]+ME2427290.940.941.090.941.031.090.691.050.90

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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