Clustering data with hclust algorithm for Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography−High-Resolution Mass Spectrometry Platforms (part V) (Study ST000987)

Reversed phase POSITIVE ION MODE (Analysis AN001613)
MetaboliteStructureF1F2F3F4F5F6F7F8F9
PC (39:4) [M+H]+ME2447510.592.890.690.850.420.44NA0.590.32
TG (40:0) [M+K]+ME244836NA3.98NA0.390.340.66NANA0.81
Hex2Cer (d34:1) [M-H2O+H]+ME2446732.360.420.460.17NA0.23NANANA
TG (55:2) [M+NH4]+ME2450380.040.580.732.21NA0.92NA0.72NA
TG (46:3) B [M+K]+ME244872NA0.490.240.201.011.14NA0.921.87
TG (60:6) [M+Na]+ME245132NA0.330.27NA1.410.71NA1.071.16
TG (62:4) [M+NH4]+ME245149NA0.230.31NA1.380.680.311.321.08
TG (56:10) [M+NH4]+ME2450770.470.400.420.461.191.50NA0.840.79
TG (48:6) [M+NH4]+ME2448820.100.170.140.091.501.26NA0.840.87
TG (54:9) [M+Na]+ME2450150.080.100.080.081.301.60NA0.880.93
TG (54:9) [M+NH4]+ME2450140.060.060.060.061.341.59NA0.750.72
TG (42:3) [M+NH4]+ME2448370.220.390.350.181.641.57NA0.740.59
TG (60:6) [M+NH4]+ME245131NA0.290.220.191.351.28NA0.780.49
TG (54:9) [M+K]+ME245016NANA0.160.311.011.14NA0.771.14
TG (54:8) [M+K]+ME2450190.170.160.140.121.611.70NA1.081.50
TG (48:6) [M+Na]+ME2448830.160.160.240.151.481.16NA0.781.23
TG (60:5) [M+NH4]+ME2451340.250.180.280.241.281.05NA0.881.22
TG (42:3) [M+Na]+ME2448380.170.450.290.171.601.31NA0.941.13
TG (48:5) [M+K]+ME2448870.250.320.260.191.701.34NA1.121.32
TG (60:4) [M+Na]+ME2451380.190.300.210.231.531.360.191.091.28
TG (54:8) [M+Na]+ME2450180.060.060.060.042.052.060.041.301.57
TG (54:8) [M+NH4]+ME2450170.050.040.050.042.262.230.051.331.59
TG (52:6) [M+K]+ME2449710.640.530.400.481.991.270.260.691.56
TG (58:4) [M+Na]+ME2451080.230.310.300.202.061.480.350.891.71
TG (60:4) [M+NH4]+ME2451370.150.140.200.142.231.430.130.801.54
TG (54:6) B [M+K]+ME2450280.430.490.520.421.631.550.371.512.00
TG (54:7) B [M+K]+ME2450250.210.270.280.221.911.470.191.411.74
TG (58:5) [M+NH4]+ME2451040.230.340.320.251.891.520.421.212.10
TG (58:5) [M+Na]+ME2451050.390.330.410.411.631.510.511.501.28
TG (52:6) [M+Na]+ME2449700.380.470.510.371.861.800.371.401.45
TG (54:7) A [M+K]+ME2450220.220.560.520.311.961.690.221.531.26
TG (58:6) [M+Na]+ME2451020.420.510.470.512.081.600.631.221.33
TG (58:6) [M+NH4]+ME2451010.420.530.480.552.021.530.421.481.12
TG (48:5) [M+NH4]+ME2448850.080.320.250.042.151.670.041.271.34
TG (58:4) [M+NH4]+ME2451070.120.170.180.122.271.630.081.321.27
TG (58:3) [M+NH4]+ME2451100.180.720.580.162.041.590.271.351.41
TG (60:3) [M+NH4]+ME2451400.140.650.530.112.111.520.081.311.56
TG (46:3) B [M+NH4]+ME2448700.120.580.470.122.201.860.121.331.42
TG (46:3) B [M+Na]+ME2448710.130.410.340.092.081.740.071.401.55
TG (48:5) [M+Na]+ME2448860.070.450.310.062.041.63NA1.341.54
TG (52:6) [M+NH4]+ME2449690.300.390.410.212.062.030.161.331.55
TG (54:7) A [M+NH4]+ME2450200.150.390.330.172.441.880.081.381.59
TG (60:3) [M+Na]+ME2451410.320.670.450.171.871.490.110.941.71
TG (48:4) B [M+Na]+ME2448920.170.520.820.161.701.690.131.211.40
TG (50:6) [M+NH4]+ME2449240.360.540.510.251.651.620.141.101.32
TG (54:6) B [M+NH4]+ME2450260.190.640.550.242.201.930.190.911.52
TG (54:7) B [M+Na]+ME2450240.470.430.440.451.871.890.311.061.69
TG (48:4) B [M+NH4]+ME2448910.161.100.840.171.661.970.171.420.30
TG (44:2) [M+K]+ME2448510.440.910.800.470.951.260.311.381.01
TG (56:5) A [M+Na]+ME2450540.610.680.900.771.501.670.491.070.59
TG (54:7) A [M+Na]+ME2450210.411.080.900.391.711.360.321.260.59
TG (55:3) [M+NH4]+ME2450350.280.990.660.701.431.690.231.350.80
TG (50:5) [M+Na]+ME2449280.621.020.940.541.381.500.221.030.98
TG (50:5) [M+NH4]+ME2449270.651.200.910.521.251.520.110.970.89
TG (56:5) B [M+NH4]+ME2450560.640.780.700.711.721.400.460.931.09
TG (52:5) [M+Na]+ME2449730.590.780.790.611.461.580.451.241.01
TG (56:5) B [M+Na]+ME2450570.590.770.800.641.471.440.451.450.89
TG (56:4) [M+Na]+ME2450630.600.880.880.501.601.310.321.241.14
TG (56:3) [M+Na]+ME2450660.400.890.800.391.651.410.421.451.25
TG (56:5) A [M+NH4]+ME2450530.450.760.800.511.711.490.431.301.09
TG (60:2) [M+NH4]+ME2451430.111.370.920.091.740.910.421.461.52
TG (58:3) [M+Na]+ME2451110.200.800.660.222.011.560.181.411.18
TG (56:3) [M+NH4]+ME2450650.310.830.730.301.911.420.261.491.27
TG (56:4) [M+NH4]+ME2450620.430.710.690.441.871.400.261.401.32
TG (56:2) [M+Na]+ME2450690.231.200.940.281.641.340.551.500.93
TG (58:2) [M+Na]+ME2451140.151.110.790.171.691.300.321.581.34
TG (56:2) [M+NH4]+ME2450680.231.080.950.231.761.350.351.421.22
TG (58:2) [M+NH4]+ME2451130.190.990.890.141.831.460.301.461.27
TG (50:3) B [M+Na]+ME2449370.720.510.490.462.012.130.580.810.24
TG (62:3) [M+NH4]+ME2451520.490.580.670.231.891.230.210.670.66
PC (34:3) C [M+H]+ME2447160.510.680.670.591.292.220.541.050.88
TG (56:9) [M+Na]+ME2450810.590.630.640.611.462.100.420.910.96
DG (36:5) [M+NH4]+ME2446270.350.370.300.351.551.960.420.780.71
TG (50:5) [M+K]+ME2449290.460.640.560.491.681.680.390.931.03
TG (52:5) [M+NH4]+ME2449720.450.720.690.451.671.850.251.071.20
TG (50:6) [M+Na]+ME2449250.260.480.540.311.721.750.161.110.74
TG (56:9) [M+NH4]+ME2450800.510.510.620.491.811.970.220.920.81
CE (18:3) [2M+NH4]+ME2445601.130.651.180.371.490.97NANA0.24
CE (20:5) [M+Na]+ME2445821.571.210.791.381.260.790.630.340.28
TG (49:2) [M+K]+ME2449141.951.331.210.510.970.63NA0.370.65
SM (d41:2) A [M+H]+ME2448240.921.370.721.481.010.81NA1.400.28
TG (55:1) [M+NH4]+ME2450410.321.530.700.870.390.31NA1.540.46
TG (59:3) [M+NH4]+ME2451250.650.801.69NA0.920.73NA1.910.82
TG (42:1) [M+Na]+ME2448440.151.651.220.131.020.810.121.400.60
TG (42:1) [M+NH4]+ME2448430.141.481.150.061.020.830.071.520.74
TG (44:2) [M+Na]+ME2448500.161.511.100.181.281.020.091.590.83
TG (44:2) [M+NH4]+ME2448490.131.401.150.141.331.100.091.480.94
TG (40:0) [M+NH4]+ME2448340.101.511.020.071.250.940.091.650.66
TG (42:0) [M+NH4]+ME2448460.171.390.980.151.401.010.221.580.68
TG (56:1) [M+NH4]+ME2450710.171.461.190.211.491.020.301.500.81
TG (44:0) [M+Na]+ME2448560.241.411.080.271.441.080.361.571.06
TG (44:0) [M+NH4]+ME2448550.181.551.180.161.431.150.241.611.00
TG (46:2) [M+Na]+ME2448740.181.561.320.151.381.000.121.631.13
TG (48:4) A [M+NH4]+ME2448880.131.391.170.091.541.190.051.491.14
TG (46:2) [M+NH4]+ME2448730.171.441.240.141.491.200.121.471.06
TG (48:4) A [M+Na]+ME2448890.121.451.270.111.431.190.081.521.13
TG (56:1) [M+Na]+ME2450720.261.561.120.211.280.900.461.420.77
TG (46:2) [M+K]+ME2448750.241.521.220.311.171.030.181.530.76
TG (48:3) [M+K]+ME2448960.341.621.450.301.111.040.191.510.77
TG (44:1) [M+Na]+ME2448530.311.681.410.221.080.880.351.530.98
TG (46:1) [M+Na]+ME2448770.291.601.390.261.160.960.391.561.00
TG (46:1) [M+NH4]+ME2448760.241.691.470.221.141.050.231.530.89
TG (48:3) [M+Na]+ME2448950.301.601.460.271.171.020.231.440.99
TG (44:1) [M+NH4]+ME2448520.211.631.360.161.281.080.241.541.02
TG (48:3) [M+NH4]+ME2448940.221.621.430.191.251.090.141.420.94
TG (54:6) A [M+NH4]+ME2450320.421.541.320.471.110.850.271.610.93
TG (42:0) [M+Na]+ME2448470.271.501.170.261.150.930.271.480.98
TG (46:1) [M+K]+ME2448780.291.461.250.341.160.960.371.561.15
TG (42:1) [M+K]+ME2448450.311.450.85NA0.740.90NA1.160.85
TG (44:0) [M+K]+ME2448570.311.410.530.310.891.06NA1.210.96
TG (42:2) [M+K]+ME2448420.401.180.810.341.110.88NA1.330.74
TG (48:4) B [M+K]+ME2448930.301.321.110.191.120.91NA1.241.17
TG (40:0) [M+Na]+ME2448350.131.360.910.141.130.900.131.470.96
TG (42:2) [M+Na]+ME2448410.121.150.830.061.220.86NA1.360.95
TG (42:2) [M+NH4]+ME2448400.061.180.850.051.240.860.041.470.96
TG (46:3) A [M+Na]+ME2448680.251.751.770.251.080.850.190.951.08
TG (46:3) A [M+NH4]+ME2448670.201.931.600.280.940.830.181.191.22
TG (54:1) [M+K]+ME2450100.531.571.360.540.921.01NA1.431.16
TG (58:1) [M+Na]+ME2451170.581.490.940.630.770.75NA1.401.03
TG (57:2) [M+NH4]+ME2450890.361.701.240.700.610.330.361.380.89
TG (44:1) [M+K]+ME2448540.421.601.440.460.700.590.421.370.96
TG (58:1) [M+NH4]+ME2451160.261.721.540.250.870.750.331.420.87
DG (36:3) [M+K]+ME2446530.660.891.460.911.780.640.321.010.51
SM (d30:1) [M+H]+ME2448040.891.031.690.761.290.860.230.690.63
TG (40:1) [M+Na]+ME2448320.981.111.510.040.911.04NA0.850.35
TG (40:1) [M+NH4]+ME2448310.701.061.660.250.871.16NA0.910.23
TG (58:10) [M+Na]+ME2451231.121.001.500.530.960.84NA1.440.72
TG (46:4) A [M+Na]+ME2448620.901.181.030.411.160.71NA1.140.85
TG (46:4) A [M+NH4]+ME2448610.671.191.000.391.161.05NA0.960.61
DG (34:2) [M+NH4]+ME2446480.961.311.230.341.261.46NA0.410.92
PC (28:0) [M+H]+ME2447010.590.751.420.551.101.68NA0.930.84
PE (p-38:4) or PE (o-38:5) [M+H]+ME2447991.141.211.150.730.910.792.131.300.60
TG (60:2) [M+Na]+ME2451440.241.500.790.770.930.781.301.371.24
TG (54:5) B [M+K]+ME2449980.601.141.230.631.090.961.460.861.42
LPC (16:1) [M+H]+ME2446871.100.880.871.091.160.891.571.060.79
TG (50:1) [M+K]+ME2449200.960.970.980.971.080.851.591.101.14
TG (54:0) [M+NH4]+ME2450110.501.010.850.771.071.291.901.510.95
TG (50:0) [M+Na]+ME2449220.731.040.920.751.071.061.501.311.34
TG (48:0) [M+Na]+ME2449040.731.021.030.661.161.091.641.311.04
TG (52:0) [M+Na]+ME2449670.761.150.920.771.031.011.491.391.02
TG (56:8) A [M+Na]+ME2450840.731.081.020.761.171.350.670.601.44
TG (49:3) [M+Na]+ME2449101.031.291.240.920.680.680.501.181.52
TG (49:0) [M+NH4]+ME2449060.921.130.970.791.390.600.790.881.56
LPE (22:3) [M+H]+ME2446991.050.950.950.880.910.810.791.051.94
TG (50:2) [M+K]+ME2449410.710.990.970.841.050.921.131.221.73
TG (54:0) [M+Na]+ME2450121.420.850.660.510.961.10NA1.751.00
SM (d40:2) A [M+H]+ME2448210.890.970.651.111.101.140.391.370.81
TG (49:0) [M+Na]+ME2449071.260.530.760.930.771.220.431.480.99
TG (54:6) A [M+K]+ME2450340.461.270.990.431.501.260.340.991.29
TG (54:1) [M+NH4]+ME2450080.421.331.040.491.391.040.631.371.13
TG (54:6) A [M+Na]+ME2450330.401.191.060.471.371.260.371.311.12
TG (51:5) [M+Na]+ME2449490.801.121.240.950.891.240.510.820.85
TG (56:8) A [M+NH4]+ME2450830.671.301.160.731.041.270.560.920.86
DG (36:4) A [M+NH4]+ME2446360.681.171.350.731.131.140.450.860.98
PC (35:3) [M+H]+ME2447210.741.221.190.831.031.120.331.000.87
TG (51:1) [M+Na]+ME2449460.791.100.930.991.020.860.381.191.48
TG (53:3) [M+K]+ME2449831.091.130.940.800.980.940.620.981.39
TG (49:3) [M+NH4]+ME2449090.781.141.000.791.161.020.390.971.36
PC (34:4) [M+H]+ME2447170.881.051.100.850.991.070.561.031.20
TG (51:4) [M+Na]+ME2449520.891.071.130.930.980.930.430.961.36
PC (37:2) [M+H]+ME2447350.751.001.200.860.851.130.681.251.12
TG (50:3) B [M+NH4]+ME2449360.661.081.010.641.131.150.691.201.37
TG (50:4) [M+K]+ME2449320.601.211.170.581.091.170.551.131.30
PC (37:6) [M+H]+ME2447380.960.971.110.780.931.090.401.221.14
TG (51:4) [M+NH4]+ME2449510.761.091.030.831.141.100.271.081.06
TG (51:3) [M+NH4]+ME2449540.901.100.990.831.081.030.431.141.07
TG (53:4) [M+NH4]+ME2449780.831.161.110.810.990.990.351.221.04
TG (56:8) B [M+NH4]+ME2450860.711.011.030.721.191.140.311.281.10
TG (58:9) [M+NH4]+ME2450950.670.991.050.691.171.250.481.290.98
TG (50:4) [M+NH4]+ME2449300.621.241.190.551.111.200.301.141.12
TG (52:4) [M+NH4]+ME2449750.671.111.090.731.121.120.481.201.13
TG (56:7) A [M+NH4]+ME2450440.691.121.120.731.101.150.541.141.05
TG (50:3) A [M+NH4]+ME2449330.741.211.180.691.041.010.491.191.14
TG (50:4) [M+Na]+ME2449310.651.181.150.601.101.110.471.271.17
DG (34:2) [M+Na]+ME2446490.831.290.990.721.050.970.831.101.23
TG (48:1) [M+K]+ME2449020.711.181.080.661.041.060.891.221.33
TG (48:1) [M+Na]+ME2449010.711.171.110.711.040.920.851.341.27
TG (54:2) [M+K]+ME2450070.651.251.140.781.050.860.801.261.23
TG (46:0) [M+Na]+ME2448800.531.191.030.541.201.000.961.501.34
TG (46:0) [M+NH4]+ME2448790.511.241.070.481.221.070.881.471.16
TG (48:0) [M+NH4]+ME2449030.661.121.040.621.101.111.101.361.17
TG (50:0) [M+NH4]+ME2449210.631.181.010.641.171.070.921.311.15
TG (52:0) [M+NH4]+ME2449660.661.260.940.651.150.990.941.351.23
TG (54:5) A [M+K]+ME2449950.521.511.530.520.890.880.691.221.13
PE (36:2) [M+H]+ME2447910.551.411.190.601.301.080.551.100.68
TG (52:1) [M+NH4]+ME2449630.631.281.040.681.170.980.751.351.02
TG (54:1) [M+Na]+ME2450090.591.451.040.581.230.920.781.301.01
TG (54:2) [M+NH4]+ME2450050.591.421.150.631.160.930.591.300.91
TG (54:5) A [M+Na]+ME2449940.561.351.250.601.130.990.581.270.95
TG (48:2) [M+K]+ME2448990.521.351.270.621.030.920.691.331.19
TG (48:2) [M+Na]+ME2448980.591.361.240.601.030.940.601.381.08
TG (54:4) [M+NH4]+ME2449990.591.511.350.611.020.880.501.290.84
TG (48:2) [M+NH4]+ME2448970.531.471.320.461.041.030.361.321.01
TG (54:5) A [M+NH4]+ME2449930.431.451.280.461.181.020.361.390.98
TG (51:1) [M+K]+ME2449471.001.241.320.970.810.711.180.921.00
TG (58:9) [M+Na]+ME2450960.881.321.260.860.910.731.181.051.09
CE (22:6) [M+Na]+ME2445941.191.000.991.310.901.020.610.730.60
SM (d36:3) [M+H]+ME2448151.060.850.911.440.861.290.550.730.69
TG (51:2) [M+K]+ME2449441.280.961.031.170.800.890.500.811.05
TG (53:1) [M+NH4]+ME2449871.230.811.111.130.831.100.780.721.10
Cer (d41:1) [M+H]+ME2446111.001.361.220.980.790.960.710.840.71
PC (p-38:3) or PC (o-38:4) A [M+H]+ME2447720.801.331.480.900.640.980.461.080.79
PC (36:5) C [M+H]+ME2447320.940.880.910.971.191.350.790.970.40
Hex2Cer (d34:1) [M+Na]+ME2446741.111.120.981.071.230.920.660.850.43
PC (p-32:1) or PC (o-32:2) [M+H]+ME2447630.980.951.061.091.181.020.790.780.46
PC (36:5) A [M+H]+ME2447300.971.111.221.440.680.730.591.030.67
TG (51:3) [M+K]+ME2449560.791.161.161.240.820.820.821.050.95
TG (49:2) [M+Na]+ME2449131.051.241.101.090.830.710.851.150.82
TG (56:4) [M+K]+ME2450641.011.151.191.170.930.630.631.030.92
PC (38:1) [M+H]+ME2447390.951.320.910.711.121.110.631.180.57
PC (p-36:1) or PC (o-36:2) A [M+H]+ME2447671.011.281.070.951.040.901.001.140.32
TG (54:5) B [M+Na]+ME2449970.821.011.060.831.211.130.901.190.56
SM (d43:1) [M+H]+ME2448290.901.201.130.851.100.951.001.080.60
TG (54:4) [M+K]+ME2450010.751.281.150.791.061.050.941.140.66
PC (36:4) B [M+H]+ME2447280.830.930.840.851.011.250.921.311.12
TG (52:1) [M+K]+ME2449650.821.081.050.871.040.921.211.330.93
TG (52:1) [M+Na]+ME2449640.821.161.020.861.080.911.051.240.94
PC (36:6) [M+H]+ME2447340.781.140.980.961.081.080.730.921.13
TG (53:1) [M+Na]+ME2449880.911.251.090.920.820.950.881.021.18
1_DG (18:1/2:0/0:0) [M+K]+ ISTDME2444970.910.980.981.050.911.010.981.041.26
TG (56:6) [M+K]+ME2450520.871.130.921.020.950.920.781.061.34
TG (52:5) [M+K]+ME2449741.031.050.910.960.861.140.881.091.00
TG (50:3) A [M+K]+ME2449350.901.091.040.890.960.970.891.121.17
TG (50:1) [M+NH4]+ME2449180.801.161.070.811.040.940.901.241.10
TG (50:2) [M+NH4]+ME2449390.851.131.040.851.040.920.831.201.10
TG (50:3) A [M+Na]+ME2449340.851.111.080.851.020.950.801.191.04
TG (50:1) [M+Na]+ME2449190.961.020.940.941.020.981.001.161.06
TG (50:2) [M+Na]+ME2449400.931.101.000.891.050.881.011.161.10
TG (52:4) [M+K]+ME2449770.951.000.990.981.021.030.971.011.05
TG (52:4) [M+Na]+ME2449760.921.001.040.941.021.010.881.121.01
TG (56:7) A [M+Na]+ME2450450.880.991.040.881.021.140.761.081.02
Cer (d40:1) [M+H]+ME2446080.931.191.080.900.940.950.781.021.02
Cer (d42:1) [M+Na]+ME2446160.961.031.190.930.960.960.831.040.93
SM (d36:0) [M+H]+ME2448120.980.911.061.270.950.771.191.100.95
PC (40:6) A [M+H]+ME2447550.971.121.090.990.831.151.040.820.97
CE (18:3) [M+NH4]+ME2445571.091.040.941.090.931.120.831.100.45
PC (o-32:0) [M+H]+ME2447610.991.091.041.071.031.000.811.050.51
PC (p-40:4) or PC (o-40:5) [M+H]+ME2447801.031.011.071.041.011.050.701.070.50
CE (16:1) [M+NH4]+ME2445331.061.011.011.060.931.040.871.140.61
SM (d34:0) [M+H]+ME2448090.991.051.080.991.030.990.941.140.53
PC (38:5) B [M+H]+ME2447460.951.011.040.991.061.060.811.140.58
PC (p-34:1) or PC (o-34:2) [M+H]+ME2447650.951.041.011.021.061.050.931.090.61
PC (40:7) A [M+H]+ME2447571.081.141.171.090.900.860.760.920.73
LPC (18:1) [M+H]+ME2446891.061.080.971.111.030.930.831.020.65
CE (20:4) [2M+NH4]+ME2445781.141.071.091.110.960.910.750.950.57
CE (20:4) [Chol-head -H2O+H]+ME2445801.151.081.091.050.950.910.820.970.66
CE (16:1) [2M+NH4]+ME2445361.091.070.951.111.001.021.041.020.47
CE (16:0) [2M+NH4]+ME2445301.160.980.991.120.911.020.900.990.66
CE (18:1) [2M+NH4]+ME2445481.200.991.031.130.911.010.910.920.59
CE (18:2) [2M+NH4]+ME2445541.161.031.061.110.950.980.940.920.57
CE (20:4) [M+NH4]+ME2445751.161.071.091.090.930.900.950.970.62
CE (18:2) [2M+Na]+ME2445551.141.051.011.110.951.011.080.890.60
CE (16:0) [Chol-head -H2O+H]+ME2445321.151.011.021.080.950.981.000.940.71
CE (18:2) [Chol-head -H2O+H]+ME2445561.111.021.031.090.970.951.040.960.68
CE (18:1) [M+NH4]+ME2445451.151.011.021.110.951.011.000.930.62
CE (18:2) [M+NH4]+ME2445511.151.051.041.060.960.961.020.950.62
1_Cholesterol d7 [M-H2O+H]+ ISTDME2444900.960.961.061.120.861.071.300.970.92
CE (16:0) [M+NH4]+ME2445271.080.910.991.110.961.031.220.880.97
TG (52:3) [M+K]+ME2449591.090.890.961.111.040.941.250.940.97
LPC (20:4) [M+H]+ME2446931.101.040.911.101.030.900.961.050.77
1_PC (12:0/13:0) [M+H]+ ISTDME2445021.001.011.080.980.961.001.121.020.90
PC (38:2) [M+H]+ME2447400.931.121.030.900.991.011.131.060.93
PC (40:4) [M+H]+ME2447520.971.081.030.951.001.021.111.050.83
1_Cer (d18:1/17:0) [M+H-H2O]+ ISTDME2444881.001.061.080.950.970.921.061.001.05
PC (38:4) B [M+H]+ME2447430.961.081.110.930.950.970.961.100.87
1_MG (17:0/0:0/0:0) [M+H]+ ISTDME2445001.001.031.090.930.980.921.031.100.96
PC (40:5) B [M+H]+ME2447540.991.041.080.940.960.991.001.050.94
LPC (16:0) [M+H]+ME2446861.001.080.971.021.060.961.141.050.73
LPC (18:0) [M+H]+ME2446881.041.080.971.061.000.971.151.030.68
1_TG d5 (17:0/17:1/17:0) ISTD [M+Na]+ME2445071.051.061.021.090.960.981.180.930.72
TG (62:2) [M+NH4]+ME2451551.141.000.951.120.970.981.180.910.75
1_DG (12:0/12:0/0:0) [M+K]+ ISTDME2444940.941.031.071.001.091.021.130.950.75
1_CE (22:1) [M+Na]+ ISTDME2444821.111.031.020.971.000.971.180.980.82
TG (52:2) [M+Na]+ME2449611.071.001.001.071.000.921.080.990.88
TG (52:3) [M+Na]+ME2449581.080.951.011.060.990.951.100.990.89
1_MG (17:0/0:0/0:0) [M+Na]+ ISTDME2445011.071.101.040.991.010.891.040.960.86
1_DG (12:0/12:0/0:0) [M+NH4]+ ISTDME2444921.021.051.050.991.000.981.001.020.78
1_LPE (17:1) [M+H]+ ISTDME2444991.001.061.050.991.000.981.011.030.82
1_DG (18:1/2:0/0:0) [M+Na]+ ISTDME2444961.011.031.041.010.980.980.981.040.84
1_LPC (17:0) [M+H]+ ISTDME2444981.021.031.021.001.010.981.021.010.86
1_CE (22:1) [2M+Na]+ ISTDME2444851.041.021.031.050.990.981.140.980.75
1_CE (22:1) [2M+NH4]+ ISTDME2444841.061.001.041.040.981.001.090.980.76
1_CE (22:1) [M+NH4]+ ISTDME2444811.051.031.041.050.980.981.090.980.77
1_CE (22:1) [Chol-head -H2O+H]+ ISTDME2444861.051.021.011.040.990.971.091.000.82
1_Cer (d18:1/17:0) [M+Na]+ ISTDME2444891.021.021.031.030.980.981.071.020.84
1_DG (12:0/12:0/0:0) [M+Na]+ ISTDME2444931.011.031.021.011.001.001.081.010.83
1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ME2445061.021.041.061.051.020.951.050.940.80
1_Sphingosine (d17:1) [M+H]+ ISTDME2445051.061.061.030.991.010.981.060.950.78
1_Cer (d18:1/17:0) [M+H]+ ISTDME2444871.021.051.071.030.990.961.031.000.75
1_PE (17:0/17:0) [M+H]+ ISTDME2445031.051.041.051.021.010.951.071.010.76
1_DG (18:1/2:0/0:0) [M+NH4]+ ISTDME2444951.011.051.041.011.001.001.061.010.76
TG (64:2) [M+NH4]+ME2451671.041.021.071.001.000.991.060.990.79
1_CUDA [M+H]+ ISTDME2444911.021.031.041.021.020.981.040.980.80
Cholesterol [M-H2O+H]+ME2446231.021.051.041.011.010.981.021.000.80
1_SM (d18:1/17:0) [M+H]+ ISTDME2445041.031.061.031.020.990.980.891.020.81
PC (32:1) [M+H]+ME2447060.951.021.011.011.020.991.011.130.79
PC (p-36:5) or PC (o-36:6) [M+H]+ME2447711.061.070.841.101.110.970.421.270.37
PE (38:6) [M+H]+ME2447941.081.070.821.041.110.980.301.300.44
CE (20:5) [M+NH4]+ME2445810.991.030.981.051.081.030.521.210.44
PE (p-36:4) or PE (o-36:5) [M+H]+ME2447980.921.071.080.961.041.020.641.250.53
PC (p-40:6) or PC (o-40:7) B [M+H]+ME2447831.040.910.811.121.171.170.320.980.64
CE (18:3) [Chol-head -H2O+H]+ME2445620.821.001.111.140.981.050.411.080.77
PC (p-40:5) or PC (o-40:6) [M+H]+ME2447810.960.880.931.151.101.070.491.030.81
PC (38:4) A [M+H]+ME2447420.941.280.951.040.951.030.430.950.81
PE (36:4) [M+H]+ME2447921.001.231.020.911.060.940.201.130.65
TG (56:8) B [M+Na]+ME2450870.901.091.210.970.900.820.371.241.05
Cer (d41:1) [M+Na]+ME2446130.981.211.020.991.090.790.430.941.13
TG (51:3) [M+Na]+ME2449551.021.251.091.000.940.760.491.100.89
TG (53:2) [M+Na]+ME2449851.031.220.971.030.970.790.491.150.89
TG (51:2) [M+Na]+ME2449431.081.140.991.090.940.810.591.070.90
TG (56:7) B [M+Na]+ME2450481.101.101.051.010.940.780.511.150.99
TG (49:1) [M+Na]+ME2449161.041.150.950.980.950.830.691.171.07
TG (49:2) [M+NH4]+ME2449120.941.140.950.931.030.880.421.181.13
TG (49:1) [M+NH4]+ME2449150.951.040.960.981.030.930.571.111.15
TG (51:2) [M+NH4]+ME2449420.981.100.960.971.050.890.531.121.02
TG (54:3) [M+NH4]+ME2450020.741.421.260.721.030.860.631.200.79
TG (48:1) [M+NH4]+ME2449000.741.241.170.730.980.980.801.300.94
TG (54:2) [M+Na]+ME2450060.781.341.160.761.060.850.741.240.86
TG (54:3) [M+Na]+ME2450030.781.281.160.791.080.920.821.130.85
TG (54:4) [M+Na]+ME2450000.791.251.190.791.040.960.791.150.82
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
TG (54:3) [M+K]+ME2450040.751.341.170.761.070.980.591.050.95
DG (36:3) [M+NH4]+ME2446510.781.171.250.801.011.040.571.040.93
DG (34:1) [M+Na]+ME2446580.811.221.140.840.951.080.591.180.79
DG (36:3) [M+Na]+ME2446520.791.191.200.871.001.040.571.090.79
PE (38:4) [M+H]+ME2447930.811.101.000.871.171.070.501.160.81
TG (53:3) [M+NH4]+ME2449810.921.161.010.901.100.970.481.110.84
TG (58:8) [M+NH4]+ME2450980.781.111.090.941.010.940.571.340.87
TG (51:1) [M+NH4]+ME2449450.781.140.990.901.180.900.631.171.01
TG (52:3) [M+NH4]+ME2449570.881.101.110.841.010.980.501.181.03
TG (54:5) B [M+NH4]+ME2449960.831.091.120.810.971.030.631.201.09
TG (56:6) [M+Na]+ME2450510.961.071.030.921.060.910.571.150.98
TG (56:7) B [M+NH4]+ME2450470.911.041.050.891.080.960.581.200.93
TG (56:5) C [M+NH4]+ME2450590.871.151.130.891.030.940.611.180.83
TG (53:4) [M+Na]+ME2449790.871.131.050.890.991.000.691.141.01
TG (56:6) [M+NH4]+ME2450500.841.131.100.901.010.990.631.130.95
PC (p-40:3) or PC (o-40:4) [M+H]+ME2447791.021.111.181.070.901.040.610.910.58
SM (d43:2) [M+H]+ME2448301.121.061.221.000.891.070.430.860.63
PC (33:0) [M+H]+ME2447081.161.021.260.821.001.000.371.020.60
PC (34:3) A [M+H]+ME2447140.981.081.240.981.090.950.401.050.42
PC (36:3) A [M+H]+ME2447251.031.141.360.910.980.860.611.030.50
SM (d32:2) [M+H]+ME2448070.881.110.991.031.071.160.800.830.79
CE (18:1) [M+Chol-head -H2O+H]+ME2445471.131.000.931.210.831.020.671.160.57
LPC (20:3) [M+H]+ME2446921.091.100.971.070.970.850.751.200.66
PC (31:0) [M+H]+ME2447031.081.131.051.061.000.930.591.040.54
Cer (d42:1) [M+H]+ME2446141.091.101.090.981.020.980.581.020.57
PC (p-38:4) or PC (o-38:5) B [M+H]+ME2447751.061.111.120.951.030.990.611.050.50
PC (35:2) B [M+H]+ME2447200.931.091.110.931.061.050.511.040.70
PC (38:6) C [M+H]+ME2447490.971.111.130.901.051.090.530.970.63
PC (35:1) [M+H]+ME2447181.051.141.130.950.991.010.560.950.63
CE (22:6) [M+NH4]+ME2445931.011.101.070.961.040.980.571.070.67
PC (40:7) B [M+H]+ME2447581.011.121.090.961.021.020.581.030.60
SM (d42:1) [M+H]+ME2448260.981.101.091.020.991.010.541.040.63
PC (37:4) [M+H]+ME2447361.021.151.101.001.001.010.440.980.60
PC (35:4) [M+H]+ME2447220.991.111.150.960.981.000.431.030.70
SM (d39:1) [M+H]+ME2448181.011.091.070.981.001.030.481.010.72
PC (33:2) [M+H]+ME2447100.961.071.091.011.031.010.331.060.71
SM (d41:2) B [M+H]+ME2448250.921.071.121.011.050.980.481.080.67
PC (40:8) [M+H]+ME2447591.070.951.170.971.020.930.531.060.80
PC (p-38:6) or PC (o-38:7) [M+H]+ME2447781.021.051.050.970.990.960.481.220.72
PE (p-38:5) or PE (o-38:6) [M+H]+ME2448000.890.950.991.081.081.070.871.090.73
TG (56:5) C [M+Na]+ME2450600.881.021.080.901.081.060.801.180.73
TG (52:2) [M+NH4]+ME2449600.951.121.090.941.000.880.741.140.93
TG (53:2) [M+NH4]+ME2449840.971.141.010.981.010.920.651.130.84
TG (53:3) [M+Na]+ME2449820.981.141.071.001.010.910.631.070.79
PC (p-36:2) or PC (o-36:3) [M+H]+ME2447690.901.021.050.951.091.020.671.090.86
Cer (d42:2) A [M+Na]+ME2446191.061.071.130.910.991.010.651.070.69
SM (d38:2) [M+H]+ME2448171.041.051.100.960.990.960.661.100.72
PC (34:0) [M+H]+ME2447111.021.041.010.991.011.030.571.070.74
PC (38:6) B [M+H]+ME2447480.971.040.981.001.051.020.571.130.75
PC (40:6) B [M+H]+ME2447560.971.041.070.991.030.960.601.130.77
PC (33:1) [M+H]+ME2447091.001.041.070.991.040.970.491.060.77
PC (p-40:6) or PC (o-40:7) A [M+H]+ME2447820.981.031.100.991.040.950.531.110.73
PC (32:2) [M+H]+ME2447070.931.011.101.011.001.040.561.030.84
PC (36:3) B [M+H]+ME2447260.971.091.080.941.011.050.651.000.79
SM (d32:1) [M+H]+ME2448061.011.061.090.971.021.010.561.000.76
SM (d38:1) [M+H]+ME2448161.011.091.070.981.000.980.611.030.77
SM (d33:1) [M+H]+ME2448081.001.041.081.001.011.010.641.050.72
PC (30:0) [M+H]+ME2447021.031.041.071.000.981.010.651.010.78
PC (38:6) A [M+H]+ME2447471.001.071.051.001.001.010.681.000.79
PC (36:4) A [M+H]+ME2447270.901.031.110.991.061.070.630.990.76
PC (p-44:4) or PC (o-44:5) [M+H]+ME2447880.941.081.080.961.091.000.631.030.73
LPC (18:2) [M+H]+ME2446900.911.111.001.001.101.030.671.050.66
PC (36:5) D [M+H]+ME2447330.901.000.971.041.071.050.641.180.70
PC (p-38:5) or PC (o-38:6) A [M+H]+ME2447760.951.041.031.021.011.010.721.160.68
PC (p-42:4) or PC (o-42:5) [M+H]+ME2447850.991.141.160.921.050.930.771.020.63
PC (p-38:5) or PC (o-38:6) B [M+H]+ME2447771.031.121.090.920.951.030.781.120.62
PC (34:3) B [M+H]+ME2447151.001.091.061.001.000.930.741.090.78
PC (38:3) [M+H]+ME2447410.971.031.080.961.001.020.771.050.86
SM (d34:2) [M+H]+ME2448110.971.051.080.970.981.000.771.080.83
PC (p-34:2) or PC (o-34:3) [M+H]+ME2447660.961.081.070.941.041.040.711.090.64
PC (38:5) A [M+H]+ME2447451.001.071.081.001.031.020.731.030.59
PC (p-38:4) or PC (o-38:5) A [M+H]+ME2447741.041.061.051.011.011.030.711.010.64
PC (34:2) [M+H]+ME2447130.891.061.090.971.031.030.811.070.78
PC (36:2) [M+H]+ME2447240.931.081.110.941.031.040.751.060.72
PC (40:5) A [M+H]+ME2447530.971.031.020.991.031.020.831.070.79
PC (38:4) C [M+H]+ME2447441.001.071.070.981.011.000.821.000.76
Hex2Cer (d34:1) [M+H]+ME2446721.001.061.060.981.001.000.851.060.73
PC (34:1) [M+H]+ME2447120.981.061.060.991.011.000.811.060.74
PC (36:4) C [M+H]+ME2447290.971.061.080.971.011.000.791.070.76
PC (p-38:3) or PC (o-38:4) B [M+H]+ME2447731.041.091.080.990.990.970.731.050.67
SM (d40:1) [M+H]+ME2448201.031.091.080.981.020.970.781.040.69
SM (d40:2) B [M+H]+ME2448221.021.101.090.971.000.960.751.040.72
SM (d41:1) [M+H]+ME2448230.981.081.051.021.021.000.781.060.66
SM (d34:1) [M+H]+ME2448100.991.081.070.981.001.010.801.070.70
SM (d42:3) [M+H]+ME2448280.991.051.070.991.020.990.791.090.69
PC (36:1) [M+H]+ME2447230.971.091.100.961.020.980.761.070.70
SM (d36:2) [M+H]+ME2448141.001.051.080.971.021.000.741.070.69
PC (p-36:4) or PC (o-36:5) [M+H]+ME2447701.001.091.080.990.990.990.751.070.68
SM (d36:1) [M+H]+ME2448130.981.071.080.991.020.970.751.090.68
PC (32:0) [M+H]+ME2447050.991.071.051.000.971.060.791.070.65
SM (d42:2) [M+H]+ME2448271.001.041.061.001.011.010.811.110.65
PC (37:5) [M+H]+ME2447370.961.061.060.961.081.180.600.930.51
SM (d40:0) [M+H]+ME2448191.061.050.951.011.111.060.560.870.75
TG (56:7) A [M+K]+ME2450461.570.771.320.930.761.171.131.070.73
TG (52:2) [M+K]+ME2449621.320.950.911.251.140.591.260.810.68
CE (16:0) [2M+Na]+ME2445311.330.970.901.060.801.031.430.970.78
CE (20:3) [M+NH4]+ME2445691.310.850.951.230.950.971.440.790.69
CE (18:1) [2M+Na]+ME2445491.270.901.011.120.931.031.320.920.51
CE (18:2) [M+Na]+ME2445521.240.981.021.170.980.971.200.850.44
CE (20:4) [2M+Na]+ME2445791.291.061.061.240.830.841.230.860.55
CE (20:4) [M+Na]+ME2445761.391.071.141.270.810.781.270.800.38
CE (18:2) [M+Chol-head -H2O+H]+ME2445531.081.111.121.091.031.031.210.630.59
PC (p-42:5) or PC (o-42:6) A [M+H]+ME2447861.130.990.980.981.081.071.270.780.61
1_CE (22:1) [M+Chol-head -H2O+H]+ ISTDME2444830.981.111.071.140.921.011.251.050.40
CE (22:2) [Chol-head -H2O+H]+ME2445921.001.131.191.070.970.871.400.990.57
Cer (d42:2) A [M+H]+ME2446170.951.411.260.870.680.940.621.36NA
Cer (d42:2) B [M+H]+ME2446200.761.081.351.170.621.280.411.250.41
TG (54:6) C [M+NH4]+ME2450290.911.111.290.940.931.180.551.150.16
TG (58:8) [M+Na]+ME2450991.251.451.310.930.840.560.231.040.57
HexCer (d42:1) [M+H]+ME2446780.961.440.721.030.911.21NA0.970.27
PC (35:2) A [M+H]+ME2447190.831.601.040.970.781.230.140.910.37
Cer (d42:2) B [M+Na]+ME2446221.231.550.810.750.830.81NA1.020.51
PE (p-36:2) or PE (o-36:3) [M+H]+ME2447971.001.310.590.770.811.16NA1.020.79
TG (56:5) C [M+K]+ME2450610.561.161.280.781.261.12NA0.890.48
DG (34:1) [M+NH4]+ME2446570.691.411.221.130.891.030.140.840.54
CE (20:5) [Chol-head -H2O+H]+ME2445861.011.101.050.951.171.190.190.730.55
PC (38:7) [M+H]+ME2447500.901.211.210.991.061.110.300.730.55
CE (18:3) [M+Na]+ME2445581.251.141.131.111.031.040.390.550.28
DG (38:6) [M+Na]+ME2446311.171.351.241.050.720.88NA0.680.36
CE (18:3) [2M+Na]+ME2445611.230.760.971.110.891.32NA0.830.57
TG (56:5) A [M+K]+ME2450551.280.841.091.001.220.850.241.030.31
PE (p-40:4) or PE (o-40:5) B [M+H]+ME2448021.240.960.370.870.562.71NA1.080.23
DG (32:1) [M+Na]+ME2446461.080.481.610.940.601.95NA0.420.88
DG (36:4) A [M+Na]+ME2446370.471.141.311.080.661.610.130.730.53
PC (o-34:0) [M+H]+ME2447620.931.350.971.080.131.68NA0.730.19
TG (50:0) [M+K]+ME2449231.020.970.820.480.831.790.351.150.53
TG (58:10) [M+NH4]+ME2451220.861.660.820.530.931.880.240.530.23
CE (20:5) [2M+Na]+ME244585NA0.840.450.972.481.92NANANA
PE (p-40:4) or PE (o-40:5) A [M+H]+ME244801NA0.890.970.610.902.92NA0.45NA
TG (56:10) [M+Na]+ME2450780.25NA0.73NA0.821.93NA0.310.53

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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