Clustering data with hclust algorithm for Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography−High-Resolution Mass Spectrometry Platforms (Part I) (Study ST000983)

Reversed phase POSITIVE ION MODE (Analysis AN001609)
MetaboliteStructureF1F2F3F4F5F6F7F8F9
TG (54:6) B [M+Na]+ME2422710.190.180.272.450.302.160.290.321.95
TG (54:6) B [M+NH4]+ME2422700.180.190.392.750.362.300.110.431.02
TG (42:3) [M+K]+ME2420830.110.100.712.280.481.710.121.411.46
TG (58:3) [M+Na]+ME2423550.140.140.861.930.691.530.161.421.78
TG (60:3) [M+Na]+ME2423850.150.150.772.020.641.590.171.431.69
TG (46:5) [M+K]+ME2421040.300.290.692.100.531.600.281.371.38
TG (56:3) [M+NH4]+ME2423090.240.260.801.980.661.490.161.461.44
TG (54:6) B [M+K]+ME2422720.340.450.861.600.711.400.421.451.59
TG (56:3) [M+Na]+ME2423100.360.360.921.730.771.410.261.361.38
TG (60:3) [M+K]+ME2423860.280.260.941.760.781.420.291.371.46
TG (62:3) [M+K]+ME2423980.460.420.631.830.651.330.661.171.74
TG (56:4) [M+NH4]+ME2423060.330.350.661.890.621.480.241.421.65
TG (58:5) [M+K]+ME2423500.440.450.531.850.531.540.401.361.72
TG (52:6) [M+K]+ME2422150.580.550.631.610.661.680.521.241.15
TG (56:9) [M+K]+ME2423260.510.570.661.390.721.870.331.171.24
TG (56:4) [M+Na]+ME2423070.440.450.842.070.821.420.300.990.91
TG (46:5) [M+NH4]+ME2421020.410.330.641.770.551.350.261.151.04
TG (54:7) A [M+K]+ME2422660.310.390.661.870.611.670.271.441.24
TG (56:5) A [M+NH4]+ME2422970.410.430.711.840.751.600.341.211.14
TG (50:5) [M+K]+ME2421730.490.440.861.650.831.650.201.190.88
TG (56:3) [M+K]+ME2423110.510.501.011.550.831.360.421.271.06
DG (36:4) B [M+Na]+ME2418840.390.400.381.590.342.200.331.121.98
DG (36:6) [M+Na]+ME2418690.320.310.311.950.342.150.281.121.72
DG (36:4) B [M+K]+ME2418850.480.440.551.460.582.010.501.051.77
DG (36:5) [M+Na]+ME2418720.440.450.581.650.572.210.380.851.32
DG (36:5) [M+NH4]+ME2418710.370.360.381.640.382.300.311.081.51
TG (56:10) [M+K]+ME2423230.380.420.391.580.432.250.341.071.58
TG (54:8) [M+Na]+ME2422620.050.060.062.420.062.380.051.471.72
TG (64:3) [M+Na]+ME2424090.190.200.281.970.311.490.211.181.30
TG (64:4) [M+Na]+ME2424060.250.210.252.060.261.670.291.301.59
TG (58:5) [M+Na]+ME2423490.310.320.392.210.371.730.271.331.71
TG (60:6) [M+K]+ME2423770.290.280.282.050.301.760.281.301.81
TG (64:3) [M+NH4]+ME2424080.210.240.332.000.291.500.151.201.78
TG (64:4) [M+NH4]+ME2424050.320.280.401.870.331.540.391.231.67
TG (60:4) [M+NH4]+ME2423810.080.080.242.480.211.870.071.381.66
TG (58:5) [M+NH4]+ME2423480.190.190.282.410.251.840.181.481.80
TG (60:6) [M+Na]+ME2423760.170.180.202.380.192.000.171.481.85
TG (60:6) [M+NH4]+ME2423750.180.200.242.320.221.900.241.441.90
TG (60:5) [M+K]+ME2423800.200.200.282.170.271.700.171.451.90
TG (58:4) [M+Na]+ME2423520.120.130.402.350.341.850.121.441.79
TG (62:4) [M+Na]+ME2423940.200.180.362.230.311.830.191.491.83
TG (60:4) [M+Na]+ME2423820.090.090.282.370.241.930.101.532.06
TG (60:5) [M+NH4]+ME2423780.150.160.252.520.231.790.141.352.01
TG (58:3) [M+NH4]+ME2423540.120.110.722.130.561.550.141.332.12
TG (60:3) [M+NH4]+ME2423840.120.110.632.110.511.590.131.362.31
TG (62:3) [M+NH4]+ME2423960.210.170.572.090.481.600.161.361.99
TG (58:4) [M+K]+ME2423530.240.250.432.090.391.700.261.441.96
TG (62:3) [M+Na]+ME2423970.200.210.532.150.451.680.221.431.80
TG (60:4) [M+K]+ME2423830.130.160.342.080.301.780.141.492.17
TG (62:4) [M+NH4]+ME2423930.220.170.322.070.301.570.161.332.12
TG (52:5) [M+Na]+ME2422170.710.690.811.480.791.580.451.100.67
TG (58:6) [M+Na]+ME2423460.610.650.731.800.701.520.501.330.34
TG (56:10) [M+Na]+ME2423220.300.310.301.600.302.320.261.010.70
TG (56:9) [M+Na]+ME2423250.410.540.671.610.662.120.121.120.72
TG (56:9) [M+NH4]+ME2423240.440.520.671.620.632.190.411.040.60
PC (34:3) C [M+H]+ME2419600.600.720.681.160.722.030.551.041.05
LPC (18:3) [M+H]+ME2419350.560.660.571.390.572.250.540.970.85
TG (56:10) [M+NH4]+ME2423210.550.590.681.460.652.050.431.030.88
TG (48:6) [M+K]+ME2421280.100.090.141.800.151.58NA1.010.65
TG (48:6) [M+NH4]+ME2421260.110.100.142.130.141.710.091.080.40
TG (54:9) [M+Na]+ME2422590.020.030.031.510.021.88NA0.850.22
TG (54:8) [M+NH4]+ME2422610.030.040.072.250.052.050.020.990.16
TG (54:9) [M+NH4]+ME2422580.070.060.091.880.082.250.050.890.28
TG (46:3) B [M+NH4]+ME2421140.100.090.452.550.342.040.071.420.94
TG (42:3) [M+Na]+ME2420820.080.060.682.450.441.820.071.400.74
TG (46:3) B [M+Na]+ME2421150.110.090.572.400.411.930.091.490.80
TG (52:6) [M+NH4]+ME2422130.280.240.412.240.422.070.161.221.18
TG (46:3) B [M+K]+ME2421160.180.170.572.160.541.770.181.621.16
TG (54:7) A [M+Na]+ME2422650.210.280.512.250.451.870.151.480.98
TG (48:5) [M+K]+ME2421310.100.100.822.370.631.880.081.550.21
TG (54:7) A [M+NH4]+ME2422640.220.300.512.300.502.040.121.470.35
TG (42:3) [M+NH4]+ME2420810.140.120.722.310.471.730.191.290.54
TG (46:5) [M+Na]+ME2421030.270.260.672.460.501.770.241.360.41
TG (50:6) [M+Na]+ME2421690.240.230.711.970.711.960.151.330.62
TG (50:6) [M+NH4]+ME2421680.260.240.711.960.681.930.181.290.75
TG (50:6) [M+K]+ME2421700.380.320.691.750.711.760.261.230.68
TG (50:5) [M+Na]+ME2421720.440.390.811.800.761.850.211.160.59
TG (50:5) [M+NH4]+ME2421710.400.320.751.900.691.960.171.090.73
TG (52:5) [M+NH4]+ME2422160.430.420.741.840.691.950.191.060.65
TG (52:6) [M+Na]+ME2422140.400.360.532.050.552.010.291.330.50
TG (58:6) [M+NH4]+ME2423450.490.440.542.120.521.690.211.440.60
TG (54:8) [M+K]+ME2422630.100.110.132.160.122.260.091.400.66
TG (54:9) [M+K]+ME2422600.190.180.192.040.192.640.201.330.51
TG (48:5) [M+Na]+ME2421300.050.050.552.650.431.990.031.490.34
TG (48:5) [M+NH4]+ME2421290.060.050.482.830.372.080.051.380.36
TG (48:6) [M+Na]+ME2421270.080.070.112.610.122.160.071.320.27
TG (58:4) [M+NH4]+ME2423510.100.120.172.950.162.110.091.510.56
TG (60:5) [M+Na]+ME2423790.110.110.172.580.162.050.081.480.75
TG (48:4) A [M+NH4]+ME2421320.090.081.441.841.181.410.041.550.05
TG (42:2) [M+Na]+ME2420850.050.041.691.701.161.130.061.640.07
TG (42:2) [M+NH4]+ME2420840.060.041.571.711.081.100.081.650.06
TG (44:2) [M+NH4]+ME2420930.140.121.641.671.241.220.131.530.07
TG (46:2) [M+NH4]+ME2421170.140.111.571.681.291.330.091.490.13
TG (44:2) [M+Na]+ME2420940.150.121.731.581.321.180.141.610.07
TG (48:4) A [M+Na]+ME2421330.120.111.651.581.391.260.071.530.15
TG (46:4) A [M+Na]+ME2421060.210.191.511.611.121.140.101.560.62
DG (36:1) [M+K]+ME2419120.250.321.711.451.141.020.161.640.32
TG (40:1) [M+NH4]+ME2420750.290.301.741.341.260.980.401.560.49
TG (46:4) A [M+NH4]+ME2421050.300.331.311.371.000.900.191.420.24
TG (42:2) [M+K]+ME2420860.080.081.541.441.111.000.101.580.06
TG (46:4) A [M+K]+ME2421070.290.201.421.391.080.950.131.56NA
TG (44:0) [M+K]+ME2421010.500.491.461.411.111.090.691.410.10
TG (54:5) A [M+NH4]+ME2422370.380.441.451.241.261.080.271.420.08
TG (42:0) [M+NH4]+ME2420900.350.331.431.621.071.200.341.470.07
TG (40:0) [M+K]+ME2420800.430.431.521.421.141.070.471.500.24
TG (40:0) [M+Na]+ME2420790.340.341.601.481.171.110.391.540.11
TG (40:0) [M+NH4]+ME2420780.310.311.641.501.141.120.331.560.13
TG (54:6) A [M+Na]+ME2422770.480.591.461.381.280.860.411.490.29
TG (54:4) [M+NH4]+ME2422430.540.581.631.121.430.980.401.300.17
TG (48:2) [M+NH4]+ME2421410.520.441.601.161.451.100.281.320.15
TG (48:3) [M+K]+ME2421400.430.411.661.171.581.040.401.320.09
TG (42:0) [M+Na]+ME2420910.500.491.651.201.240.960.551.370.09
TG (48:2) [M+Na]+ME2421420.610.581.471.141.331.050.531.340.26
TG (42:1) [M+Na]+ME2420880.110.102.031.331.480.950.181.670.13
TG (42:1) [M+NH4]+ME2420870.100.102.041.381.451.000.161.620.06
TG (40:1) [M+Na]+ME2420760.230.211.881.331.300.980.381.540.15
TG (42:1) [M+K]+ME2420890.250.271.821.301.420.990.461.520.15
TG (46:1) [M+Na]+ME2421210.310.301.711.261.471.070.381.540.08
TG (46:2) [M+K]+ME2421190.350.331.681.301.471.040.391.430.15
TG (40:1) [M+K]+ME2420770.380.361.731.211.330.980.471.490.20
TG (46:1) [M+K]+ME2421220.380.371.591.231.411.030.541.470.06
TG (46:3) A [M+K]+ME2421130.380.341.811.121.631.020.241.340.10
TG (46:1) [M+NH4]+ME2421200.240.201.821.241.571.100.191.470.06
TG (46:3) A [M+Na]+ME2421120.300.251.821.251.551.070.221.370.08
TG (48:3) [M+Na]+ME2421390.280.251.771.251.571.070.191.420.02
TG (46:3) A [M+NH4]+ME2421110.280.221.651.421.371.180.181.360.13
TG (44:1) [M+NH4]+ME2420960.210.181.721.441.421.180.241.500.10
TG (44:2) [M+K]+ME2420950.190.181.711.481.371.130.221.580.15
TG (46:2) [M+Na]+ME2421180.210.181.681.481.391.170.181.560.10
TG (48:3) [M+NH4]+ME2421380.200.161.771.401.531.190.101.420.03
TG (48:4) A [M+K]+ME2421340.170.171.701.351.531.150.131.460.25
TG (44:1) [M+Na]+ME2420970.250.231.881.011.540.850.351.520.94
TG (44:1) [M+K]+ME2420980.370.392.050.901.720.770.561.320.27
TG (54:6) A [M+NH4]+ME2422760.470.601.810.861.510.560.261.860.32
TG (46:4) B [M+NH4]+ME2421080.310.450.591.110.700.98NA1.202.07
TG (56:5) B [M+NH4]+ME2423000.600.620.801.150.571.050.301.682.49
PC (37:5) [M+H]+ME2419810.530.721.111.261.161.120.220.802.08
TG (44:0) [M+Na]+ME2421000.360.361.341.371.021.050.451.611.16
TG (44:0) [M+NH4]+ME2420990.240.211.461.381.131.100.241.591.22
TG (55:1) [M+NH4]+ME2422850.660.651.351.121.040.900.471.251.34
TG (54:1) [M+Na]+ME2422530.610.671.361.091.060.860.701.301.35
TG (57:1) [M+NH4]+ME2423360.510.591.431.121.100.920.601.291.35
TG (46:0) [M+Na]+ME2421240.590.571.161.180.971.040.831.361.48
TG (48:0) [M+NH4]+ME2421470.570.641.121.101.021.090.751.321.52
TG (50:0) [M+NH4]+ME2421650.540.551.201.230.971.120.611.271.47
TG (52:1) [M+NH4]+ME2422070.510.591.261.181.010.970.521.361.50
TG (60:1) [M+Na]+ME2423910.550.491.551.111.120.880.141.331.31
TG (58:1) [M+K]+ME2423620.510.411.431.121.150.910.391.341.47
TG (60:1) [M+NH4]+ME2423900.490.461.491.121.150.860.451.311.59
TG (58:1) [M+Na]+ME2423610.380.371.541.181.190.930.411.401.38
TG (58:1) [M+NH4]+ME2423600.340.341.551.181.200.920.381.361.58
TG (56:1) [M+Na]+ME2423160.310.331.491.261.151.020.361.451.36
TG (59:3) [M+NH4]+ME2423690.360.361.381.301.181.060.371.371.30
TG (59:2) [M+Na]+ME2423730.440.441.601.111.280.890.391.351.14
TG (59:2) [M+NH4]+ME2423720.430.421.521.081.250.910.381.311.19
TG (57:2) [M+NH4]+ME2423330.450.481.391.221.091.010.391.321.40
TG (54:2) [M+NH4]+ME2422490.460.521.441.181.130.930.371.411.23
TG (56:1) [M+K]+ME2423170.420.431.471.181.170.970.411.371.26
TG (56:0) [M+K]+ME2423200.530.511.371.151.140.990.491.371.21
TG (57:1) [M+Na]+ME2423370.510.551.501.101.150.930.511.301.22
TG (56:4) [M+K]+ME2423080.560.590.861.420.811.230.381.261.70
TG (58:6) [M+K]+ME2423470.620.670.721.500.721.320.551.281.44
TG (54:1) [M+NH4]+ME2422520.410.461.281.320.940.990.451.361.80
TG (56:1) [M+NH4]+ME2423150.250.251.371.351.021.070.291.451.86
TG (46:4) B [M+Na]+ME2421090.210.201.311.450.921.290.191.361.83
TG (60:2) [M+Na]+ME2423880.280.261.281.480.981.160.301.411.62
TG (60:2) [M+NH4]+ME2423870.260.231.281.500.991.130.261.381.79
TG (56:2) [M+Na]+ME2423130.270.291.171.540.941.250.271.441.49
TG (58:2) [M+K]+ME2423590.310.301.221.520.961.220.341.411.36
TG (62:2) [M+Na]+ME2424000.370.321.031.570.771.220.351.361.70
TG (56:2) [M+K]+ME2423140.330.371.101.420.911.230.341.431.70
TG (60:2) [M+K]+ME2423890.380.361.211.430.951.110.431.331.62
TG (58:2) [M+NH4]+ME2423570.160.150.901.760.671.350.181.392.16
TG (58:3) [M+K]+ME2423560.210.220.821.790.671.500.231.431.96
TG (58:2) [M+Na]+ME2423580.200.191.091.700.831.360.241.471.61
TG (56:2) [M+NH4]+ME2423120.180.201.011.770.781.330.181.431.88
TG (62:2) [M+NH4]+ME2423990.320.261.031.600.861.230.091.351.91
CE (20:3) [M+Na]+ME2418141.541.410.820.830.910.991.200.590.57
CE (18:3) [M+Na]+ME2418021.401.510.780.840.821.081.240.590.01
CE (20:5) [M+Na]+ME2418261.481.700.970.820.950.830.790.580.02
CE (22:6) [M+Na]+ME2418381.411.450.830.850.940.950.790.670.02
CE (16:1) [2M+Na]+ME2417811.081.160.910.900.970.981.760.90NA
CE (16:1) [M+Na]+ME2417781.051.110.920.910.970.951.431.06NA
CE (20:4) [2M+Na]+ME2418231.421.411.100.701.140.681.580.660.56
CE (20:4) [M+Na]+ME2418201.391.341.100.751.170.761.500.750.04
PC (36:3) A [M+H]+ME2419690.890.860.960.851.251.020.011.42NA
PC (34:3) A [M+H]+ME2419580.680.860.991.101.151.100.961.440.51
LPE (20:4) [M+H]+ME2419420.860.881.081.130.901.051.101.270.28
PC (36:5) C [M+H]+ME2419760.930.781.130.970.961.241.121.380.34
DG (38:5) [M+Na]+ME2418870.760.841.210.921.490.990.900.920.18
TG (50:4) [M+NH4]+ME2421740.640.551.351.291.291.330.251.070.14
TG (49:2) [M+NH4]+ME2421560.970.871.291.121.121.020.391.120.16
TG (49:3) [M+NH4]+ME2421530.840.741.221.271.091.160.111.150.27
TG (51:4) [M+NH4]+ME2421950.810.761.201.251.121.240.311.010.33
TG (51:3) [M+NH4]+ME2421980.870.831.211.211.091.130.331.090.29
TG (53:3) [M+NH4]+ME2422250.860.871.221.181.071.040.351.130.39
TG (58:9) [M+NH4]+ME2423390.660.741.071.341.061.370.501.260.12
TG (54:3) [M+Na]+ME2422470.730.751.411.131.250.960.651.170.37
TG (54:5) A [M+K]+ME2422390.620.671.381.221.271.090.671.080.44
TG (52:4) [M+NH4]+ME2422190.700.731.231.251.181.250.421.170.14
PE (36:1) [M+H]+ME2420340.650.731.211.211.211.130.541.220.33
TG (50:3) A [M+NH4]+ME2421770.740.691.331.151.281.130.421.140.30
DG (36:4) A [M+Na]+ME2418810.670.711.161.141.191.360.550.990.03
TG (48:1) [M+Na]+ME2421450.760.721.331.181.231.080.811.260.04
DG (36:3) [M+K]+ME2418970.800.811.141.031.171.050.621.140.04
DG (36:3) [M+Na]+ME2418960.770.801.211.031.221.060.561.150.01
DG (36:3) [M+NH4]+ME2418950.770.781.221.051.221.100.521.080.05
PE (34:2) [M+H]+ME2420330.750.841.191.241.151.150.691.170.12
TG (50:4) [M+K]+ME2421760.760.741.201.191.221.190.591.160.10
TG (49:2) [M+Na]+ME2421571.131.071.330.911.140.780.631.090.26
TG (49:3) [M+Na]+ME2421541.141.061.410.841.230.710.611.030.31
SM (d41:2) A [M+H]+ME2420680.810.970.821.071.001.180.121.31NA
PC (p-38:5) or PC (o-38:6) A [M+H]+ME2420200.911.010.981.000.981.040.341.21NA
Cer (d42:2) A [M+Na]+ME2418630.850.981.111.170.991.170.431.150.08
PE (38:4) [M+H]+ME2420370.800.851.031.131.011.050.461.26NA
Cer (d41:1) [M+H-H2O]+ME2418560.881.210.960.921.070.870.941.220.34
PC (36:5) D [M+H]+ME2419770.891.110.991.121.001.140.601.170.25
PC (33:0) [M+H]+ME2419521.000.991.030.991.041.000.481.060.17
SM (d39:1) [M+H]+ME2420621.021.011.101.021.111.050.491.070.06
SM (d43:2) [M+H]+ME2420740.981.031.071.031.051.050.461.140.10
PE (p-38:4) or PE (o-38:5) [M+H]+ME2420431.000.971.051.051.161.130.581.120.13
PC (o-34:0) [M+H]+ME2420060.970.981.001.021.071.080.601.120.19
PC (38:6) B [M+H]+ME2419920.961.061.051.081.071.100.581.140.18
PE (p-38:5) or PE (o-38:6) [M+H]+ME2420440.961.041.031.081.091.120.671.150.13
PC (35:2) B [M+H]+ME2419640.960.981.131.081.171.140.511.050.06
Cer (d41:1) [M+Na]+ME2418571.031.011.141.041.141.060.581.040.15
PC (35:1) [M+H]+ME2419621.010.991.111.051.131.070.521.090.23
Cer (d40:1) [M+Na]+ME2418541.050.991.151.011.131.030.621.010.05
PC (37:2) [M+H]+ME2419790.970.991.131.091.141.120.641.030.09
PC (34:0) [M+H]+ME2419551.031.031.061.041.101.110.651.040.06
SM (d41:1) [M+H]+ME2420671.031.041.101.061.111.080.661.070.07
CE (20:5) [M+NH4]+ME2418250.891.020.991.070.981.060.481.160.05
CE (20:5) [Chol-head -H2O+H]+ME2418300.940.971.041.101.011.090.551.280.12
PC (40:6) B [M+H]+ME2420000.921.021.001.051.031.080.611.240.03
PE (p-36:4) or PE (o-36:5) [M+H]+ME2420420.930.960.981.021.071.090.541.230.04
PC (o-32:0) [M+H]+ME2420050.941.001.021.011.031.030.731.120.12
PC (p-38:4) or PC (o-38:5) A [M+H]+ME2420180.960.981.030.981.041.010.681.110.10
SM (d36:1) [M+H]+ME2420570.981.011.061.021.071.030.721.130.02
SM (d38:2) [M+H]+ME2420610.960.981.030.981.031.000.671.07NA
PC (32:0) [M+H]+ME2419490.930.960.980.981.041.050.711.12NA
SM (d42:3) [M+H]+ME2420720.920.971.010.991.021.020.711.14NA
PC (38:3) [M+H]+ME2419850.940.941.040.981.051.030.721.140.06
SM (d40:1) [M+H]+ME2420640.970.961.030.981.051.010.701.110.03
PC (p-34:2) or PC (o-34:3) [M+H]+ME2420100.891.011.001.051.031.090.631.070.03
PC (p-40:5) or PC (o-40:6) [M+H]+ME2420250.940.991.001.021.001.020.561.10NA
SM (d38:1) [M+H]+ME2420600.970.961.040.971.061.000.541.10NA
TG (50:3) A [M+Na]+ME2421780.880.871.211.121.181.070.741.180.10
TG (52:4) [M+Na]+ME2422200.900.941.091.151.101.180.771.100.11
PC (36:3) B [M+H]+ME2419701.030.931.120.991.141.050.871.210.16
TG (52:2) [M+Na]+ME2422051.041.041.131.081.090.990.891.050.18
PC (40:5) B [M+H]+ME2419980.990.971.111.071.131.110.921.070.12
TG (50:3) A [M+K]+ME2421790.990.971.131.061.141.000.961.020.11
PC (34:3) B [M+H]+ME2419590.951.081.061.061.001.090.751.150.29
PC (34:1) [M+H]+ME2419561.001.021.071.061.091.020.841.100.30
PC (40:5) A [M+H]+ME2419970.971.031.051.061.071.100.811.090.29
SM (d42:2) [M+H]+ME2420710.991.031.071.051.081.080.791.120.24
CE (20:4) [Chol-head -H2O+H]+ME2418241.081.061.140.971.151.010.821.050.11
Cer (d42:1) [M+Na]+ME2418601.081.041.131.021.151.040.791.010.08
PC (38:4) C [M+H]+ME2419881.021.031.101.061.121.090.811.060.08
PC (36:4) C [M+H]+ME2419731.021.031.101.061.121.100.841.070.04
SM (d42:1) [M+H]+ME2420701.021.041.081.041.101.080.841.090.06
PC (36:1) [M+H]+ME2419670.981.021.101.081.131.120.751.080.03
PC (36:2) [M+H]+ME2419680.961.001.101.091.141.140.761.040.10
CE (18:1) [M+Chol-head -H2O+H]+ME2417911.071.031.040.961.091.010.750.970.09
HexCer (d40:1) [M+Na]+ME2419211.001.011.031.001.051.050.731.000.15
PC (p-36:2) or PC (o-36:3) [M+H]+ME2420130.961.061.081.101.081.120.661.020.20
PC (p-38:3) or PC (o-38:4) B [M+H]+ME2420171.031.021.101.031.121.060.671.060.23
PC (p-42:5) or PC (o-42:6) A [M+H]+ME2420301.021.011.101.051.111.070.741.040.25
SM (d40:2) B [M+H]+ME2420661.021.021.101.041.121.070.741.060.20
Cer (d42:1) [M+H]+ME2418581.030.981.131.031.131.030.741.020.11
PC (p-38:4) or PC (o-38:5) B [M+H]+ME2420191.020.991.121.011.131.040.691.060.16
TG (58:9) [M+Na]+ME2423400.941.071.300.941.270.940.841.050.07
DG (36:2) [M+Na]+ME2419050.880.931.250.961.190.880.601.090.02
TG (53:4) [M+K]+ME2422240.950.951.170.941.100.910.671.04NA
DG (36:2) [M+K]+ME2419060.940.981.241.011.210.950.701.060.22
TG (58:8) [M+Na]+ME2423430.881.001.261.021.190.950.661.160.22
TG (53:3) [M+Na]+ME2422261.001.001.251.021.130.930.531.070.32
TG (53:4) [M+Na]+ME2422230.930.941.221.061.121.030.561.140.26
DG (36:1) [M+Na]+ME2419110.750.861.221.091.071.000.931.270.18
DG (34:1) [M+K]+ME2419030.810.921.191.051.221.061.091.130.14
DG (34:1) [M+Na]+ME2419020.770.931.241.021.190.991.041.140.04
Cer (d36:1) [M+Na]+ME2418481.130.891.151.001.140.980.970.980.25
1_Cer (d18:1/17:0) [M+H-H2O]+ ISTDME2417320.981.001.000.981.010.990.941.05NA
1_Cer (d18:1/17:0) [M+H]+ ISTDME2417310.971.001.000.981.011.000.971.05NA
CE (18:2) [M+Chol-head -H2O+H]+ME2417971.131.111.040.991.061.040.910.940.08
CE (18:2) [M+NH4]+ME2417951.121.091.000.971.011.000.991.000.01
PC (40:4) [M+H]+ME2419960.971.011.051.041.091.071.061.110.31
SM (d36:0) [M+H]+ME2420561.001.041.041.031.061.021.051.110.30
DG (32:0) [M+Na]+ME2418990.931.081.111.061.031.071.251.060.16
TG (52:4) [M+K]+ME2422211.041.060.961.041.011.081.060.980.14
DG (34:0) [M+Na]+ME2419081.031.041.061.061.011.051.091.000.12
LPC (18:0) [M+H]+ME2419321.051.101.091.081.021.031.141.040.13
TG (48:0) [M+K]+ME2421490.700.780.981.070.951.091.211.171.56
TG (48:0) [M+Na]+ME2421480.700.780.951.120.911.141.341.231.34
SM (d40:0) [M+H]+ME2420630.970.880.950.930.920.910.951.151.85
1_Cer (d18:1/17:0) [M+Na]+ ISTDME2417330.950.960.960.940.960.960.950.981.61
1_DG (18:1/2:0/0:0) [M+K]+ ISTDME2417410.940.950.940.950.970.940.921.071.57
TG (46:0) [M+K]+ME2421250.730.691.111.100.960.980.901.171.66
TG (52:0) [M+NH4]+ME2422100.660.601.171.220.850.980.651.251.76
TG (56:7) B [M+NH4]+ME2422910.720.771.011.020.940.970.391.261.89
PC (38:5) B [M+H]+ME2419900.830.950.880.970.970.940.681.061.92
TG (56:7) B [M+Na]+ME2422920.820.921.000.960.940.950.561.131.70
DG (38:5) [M+K]+ME2418880.780.781.060.901.101.000.751.021.85
TG (48:1) [M+K]+ME2421460.680.671.141.031.050.890.721.211.88
TG (56:8) B [M+K]+ME2423321.091.181.140.681.170.730.940.901.25
TG (49:1) [M+K]+ME2421611.041.011.100.871.000.770.851.081.38
TG (49:2) [M+K]+ME2421581.081.021.200.791.080.720.771.041.31
TG (51:3) [M+K]+ME2422001.061.061.170.801.110.750.691.021.21
TG (49:1) [M+NH4]+ME2421590.850.811.031.060.990.970.271.141.53
TG (49:0) [M+NH4]+ME2421500.930.871.151.070.910.930.681.181.08
TG (53:1) [M+Na]+ME2422320.890.901.211.080.900.850.631.171.20
TG (51:2) [M+Na]+ME2421871.041.021.160.911.010.800.561.111.09
TG (53:2) [M+Na]+ME2422290.970.961.180.971.010.840.481.171.04
Cer (d42:2) B [M+Na]+ME2418660.960.911.030.961.030.930.641.111.29
TG (53:3) [M+K]+ME2422270.940.951.120.971.030.890.621.101.17
TG (49:1) [M+Na]+ME2421601.010.981.140.920.990.810.661.131.22
TG (53:2) [M+K]+ME2422301.000.961.120.951.000.810.621.141.24
TG (53:2) [M+NH4]+ME2422280.940.901.141.051.010.860.351.151.14
TG (51:2) [M+NH4]+ME2421860.850.851.121.070.960.930.341.171.33
TG (53:1) [M+NH4]+ME2422310.810.851.181.130.870.870.511.231.35
TG (56:5) C [M+NH4]+ME2423030.740.781.161.051.120.960.481.291.08
CE (22:6) [Chol-head -H2O+H]+ME2418420.810.881.060.990.941.020.481.291.24
TG (55:2) [M+Na]+ME2422830.790.791.231.130.940.910.511.251.18
TG (55:2) [M+NH4]+ME2422820.820.791.131.150.920.980.531.191.21
TG (55:3) [M+NH4]+ME2422790.800.821.161.110.990.940.501.191.17
TG (52:2) [M+NH4]+ME2422040.840.851.171.001.070.880.601.201.20
TG (52:3) [M+NH4]+ME2422010.780.811.121.041.060.980.591.191.26
Acylcarnitine (C8:0) [M+H]+ME2417530.840.871.060.911.200.810.831.151.54
TG (56:5) C [M+Na]+ME2423040.830.891.090.881.050.870.681.281.45
TG (51:1) [M+K]+ME2421910.930.931.110.950.950.840.741.141.47
TG (56:7) B [M+K]+ME2422930.941.011.020.940.950.910.591.101.41
TG (53:0) [M+NH4]+ME2422340.860.811.211.090.870.870.631.121.50
TG (54:0) [M+NH4]+ME2422550.950.671.181.070.930.900.671.151.49
TG (54:1) [M+K]+ME2422540.690.771.340.981.080.820.831.231.43
TG (50:1) [M+NH4]+ME2421620.710.781.161.031.050.940.661.271.36
TG (50:2) [M+NH4]+ME2421830.770.771.121.051.020.940.651.241.40
TG (48:1) [M+NH4]+ME2421440.670.641.201.031.120.960.631.281.47
TG (56:0) [M+NH4]+ME2423180.720.641.261.091.030.960.661.231.39
TG (53:0) [M+Na]+ME2422350.880.861.201.080.890.900.821.101.29
TG (55:2) [M+K]+ME2422840.860.821.161.090.990.920.741.111.23
TG (58:0) [M+NH4]+ME2423630.770.771.221.041.020.920.791.151.37
TG (55:1) [M+Na]+ME2422860.780.701.231.111.050.940.711.171.21
TG (56:0) [M+Na]+ME2423190.780.721.271.041.040.950.771.171.22
TG (52:5) [M+K]+ME2422181.121.021.030.861.101.060.990.721.10
CE (18:3) [Chol-head -H2O+H]+ME2418060.991.020.990.870.991.160.961.170.70
PC (32:1) [M+H]+ME2419500.931.021.011.021.031.041.031.160.62
TG (58:10) [M+Na]+ME2423670.820.961.120.981.121.110.791.070.68
PC (40:6) A [M+H]+ME2419990.980.961.031.051.060.980.801.110.74
HexCer (d42:1) [M+Na]+ME2419240.981.061.011.011.031.040.781.050.69
HexCer (d42:2) [M+Na]+ME2419270.971.021.031.010.991.050.841.070.77
PE (p-36:1) or PE (o-36:2) [M+H]+ME2420401.010.991.021.031.051.070.900.950.76
DG (34:3) [M+Na]+ME2418780.950.931.111.041.061.020.921.070.62
1_SM (d18:1/17:0) [M+H]+ ISTDME2417481.011.021.041.011.041.020.911.050.67
HexCer (d42:1) [M+H]+ME2419221.000.991.081.011.041.010.931.020.70
TG (49:0) [M+Na]+ME2421511.000.961.161.060.970.950.881.130.63
TG (50:2) [M+K]+ME2421850.850.871.161.111.080.990.911.160.64
LPC (20:3) [M+H]+ME2419361.071.101.031.000.900.950.841.020.90
LPC (18:1) [M+H]+ME2419331.041.111.031.010.940.950.861.060.76
LPC (22:5) [M+H]+ME2419391.031.190.971.000.890.990.841.020.81
LPC (20:5) [M+H]+ME2419380.921.190.921.110.850.980.701.180.79
PC (p-34:1) or PC (o-34:2) [M+H]+ME2420090.841.080.991.080.931.070.871.140.81
TG (54:0) [M+K]+ME2422571.100.901.120.980.940.900.961.051.09
TG (54:0) [M+Na]+ME2422561.090.841.180.970.950.890.881.071.16
PE (p-34:1) or PE (o-34:2) [M+H]+ME2420390.971.000.981.020.971.070.931.070.86
Cer (d34:1) [M+Na]+ME2418450.990.951.051.011.030.960.861.100.90
PC (38:4) B [M+H]+ME2419870.940.981.021.011.031.000.951.130.85
SM (d36:3) [M+H]+ME2420590.980.951.050.981.090.960.951.100.85
CE (16:0) [Chol-head -H2O+H]+ME2417761.061.020.990.941.010.980.831.060.97
CE (20:4) [M+NH4]+ME2418191.041.011.060.881.070.910.801.110.96
Cholesterol [M-H2O+H]+ME2418670.970.971.000.981.021.000.831.071.03
PC (34:2) [M+H]+ME2419570.920.961.011.011.041.040.801.080.95
PC (p-32:1) or PC (o-32:2) [M+H]+ME2420070.970.931.060.981.011.010.721.160.88
PC (38:5) A [M+H]+ME2419890.960.981.031.001.041.030.721.080.83
SM (d34:0) [M+H]+ME2420530.941.001.010.991.031.010.811.140.85
SM (d34:1) [M+H]+ME2420540.950.971.030.981.041.010.791.130.86
SM (d34:2) [M+H]+ME2420550.960.971.030.971.051.000.801.130.90
LPC (15:0) [M+H]+ME2419291.010.991.081.031.000.950.741.060.85
PC (31:1) [M+H]+ME2419480.991.031.021.000.990.980.701.050.95
CE (18:3) [M+NH4]+ME2418010.951.030.940.960.911.060.831.161.07
CE (18:1) [M+NH4]+ME2417891.081.030.960.920.990.960.861.021.14
CE (20:3) [M+NH4]+ME2418131.151.070.940.920.960.940.930.961.12
1_Cholesterol d7 [M-H2O+H]+ ISTDME2417340.991.000.990.990.990.981.061.001.12
1_CE (22:1) [Chol-head -H2O+H]+ ISTDME2417300.991.000.990.980.990.980.941.031.13
1_DG (18:1/2:0/0:0) [M+NH4]+ ISTDME2417390.980.981.000.990.990.970.921.051.12
1_CE (22:1) [M+Chol-head -H2O+H]+ ISTDME2417270.971.000.980.971.000.980.921.041.18
1_DG (12:0/12:0/0:0) [M+NH4]+ ISTDME2417360.970.991.000.961.000.970.941.051.15
1_MG (17:0/0:0/0:0) [M+H]+ ISTDME2417440.980.991.000.961.010.960.941.051.16
1_CUDA [M+H]+ ISTDME2417350.991.001.000.991.021.001.001.020.98
1_LPE (17:1) [M+H]+ ISTDME2417430.991.001.000.981.000.990.941.041.01
1_Sphingosine (d17:1) [M+H]+ ISTDME2417490.981.001.010.991.000.980.961.060.99
TG (64:2) [M+Na]+ME2424121.001.011.020.991.000.990.951.020.96
1_LPC (17:0) [M+H]+ ISTDME2417420.991.011.010.981.011.000.951.040.97
LPE (22:3) [M+H]+ME2419430.991.011.000.971.001.020.961.050.96
1_CE (22:1) [2M+Na]+ ISTDME2417291.011.000.990.991.000.991.001.011.04
1_DG (12:0/12:0/0:0) [M+Na]+ ISTDME2417370.991.001.000.981.000.990.961.031.05
1_MG (17:0/0:0/0:0) [M+Na]+ ISTDME2417450.981.011.010.981.010.980.951.021.04
1_PE (17:0/17:0) [M+H]+ ISTDME2417470.981.000.990.981.010.990.951.031.07
1_DG (18:1/2:0/0:0) [M+Na]+ ISTDME2417400.980.990.990.981.000.980.941.061.07
1_PC (12:0/13:0) [M+H]+ ISTDME2417460.970.991.000.981.000.990.961.051.07
1_TG d5 (17:0/17:1/17:0) ISTD [M+Na]+ME2417511.051.061.000.921.040.981.020.940.99
CE (22:2) [M+Na]+ME2418321.061.051.030.921.060.971.001.010.85
1_CE (22:1) [M+Na]+ ISTDME2417261.021.021.011.001.010.990.991.000.91
CE (18:2) [Chol-head -H2O+H]+ME2418001.061.050.980.961.000.990.951.020.89
TG (58:10) [M+K]+ME2423680.981.161.090.801.150.891.050.960.95
TG (52:3) [M+K]+ME2422031.041.060.961.030.981.021.050.990.78
Acylcarnitine (C18:2) [M+H]+ME2417631.011.020.970.981.101.071.140.950.72
DG (36:0) [M+K]+ME2419151.061.041.001.021.041.021.140.940.73
CE (18:1) [2M+Na]+ME2417931.171.130.930.910.991.011.070.890.88
CE (18:2) [2M+Na]+ME2417991.101.130.870.971.051.001.080.880.91
CE (22:2) [2M+Na]+ME2418351.051.120.980.911.011.021.260.930.86
CE (16:0) [2M+Na]+ME2417751.111.130.930.930.991.021.160.950.83
CE (16:0) [M+Na]+ME2417721.091.080.940.950.981.011.140.970.89
CE (20:2) [M+Na]+ME2418081.051.080.930.981.031.001.130.960.89
CE (16:1) [M+NH4]+ME2417770.971.020.961.000.990.981.181.051.05
LPC (16:0) [M+H]+ME2419300.971.021.031.040.950.961.101.120.85
TG (52:0) [M+K]+ME2422121.030.981.150.880.960.811.181.061.33
TG (50:2) [M+Na]+ME2421840.850.851.131.091.020.950.851.181.02
TG (52:1) [M+Na]+ME2422080.770.841.171.060.990.920.871.251.18
DG (32:1) [M+Na]+ME2418900.840.831.111.001.120.971.011.091.18
DG (34:1) [M+NH4]+ME2419010.780.871.140.981.160.950.831.131.09
TG (50:1) [M+K]+ME2421640.840.901.011.020.960.961.081.131.42
TG (50:1) [M+Na]+ME2421630.830.901.011.040.940.971.051.171.35
TG (52:0) [M+Na]+ME2422110.920.871.180.990.910.870.991.161.32
TG (52:1) [M+K]+ME2422090.920.971.060.980.980.891.091.141.23
1_DG (12:0/12:0/0:0) [M+K]+ ISTDME2417380.970.980.960.960.960.980.980.991.41
1_CE (22:1) [M+NH4]+ ISTDME2417250.980.990.960.970.990.960.921.041.29
TG (64:2) [M+NH4]+ME2424110.940.980.970.950.980.990.981.071.27
1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ME2417500.940.961.030.980.980.950.811.071.27
TG (52:3) [M+Na]+ME2422020.920.941.011.031.000.990.831.081.13
TG (56:5) C [M+K]+ME2423050.900.871.011.051.061.000.761.081.18
TG (54:5) B [M+NH4]+ME2422400.840.811.220.961.221.190.651.180.35
TG (56:6) [M+NH4]+ME2422940.830.861.211.081.191.070.541.140.39
TG (54:3) [M+K]+ME2422480.820.811.281.021.210.960.751.120.66
DG (34:2) [M+K]+ME2418940.750.741.241.121.131.170.791.200.41
DG (34:2) [M+Na]+ME2418930.710.761.201.171.151.150.901.120.53
TG (54:4) [M+K]+ME2422450.780.821.221.111.171.060.841.120.52
TG (56:8) A [M+K]+ME2423290.880.990.981.091.011.260.911.020.50
DG (38:6) [M+NH4]+ME2418740.780.811.071.031.211.300.760.990.47
TG (56:8) A [M+Na]+ME2423280.710.841.061.141.061.360.621.090.54
TG (54:2) [M+K]+ME2422510.870.891.240.981.150.890.801.090.89
TG (58:8) [M+K]+ME2423440.931.061.210.881.090.860.841.100.86
TG (51:2) [M+K]+ME2421881.091.051.160.891.030.790.741.070.94
TG (51:3) [M+Na]+ME2421991.020.991.200.901.100.830.521.011.03
TG (51:4) [M+K]+ME2421971.021.061.200.851.130.820.670.961.00
PC (p-36:5) or PC (o-36:6) [M+H]+ME2420150.871.050.971.050.951.050.471.300.73
PE (38:6) [M+H]+ME2420380.891.070.991.120.860.990.511.250.82
PC (38:7) [M+H]+ME2419940.830.921.090.970.981.090.721.220.95
PC (39:4) [M+H]+ME2419950.990.971.111.021.050.990.481.040.79
PC (37:6) [M+H]+ME2419820.940.971.031.001.051.010.341.150.91
SM (d43:1) [M+H]+ME2420730.960.981.070.971.041.030.391.150.79
PC (32:2) [M+H]+ME2419510.920.951.020.961.081.070.551.041.05
PC (p-42:4) or PC (o-42:5) [M+H]+ME2420291.020.891.020.941.011.050.711.121.02
Hex2Cer (d34:1) [M+Na]+ME2419180.950.951.010.951.020.980.611.151.14
Hex2Cer (d34:1) [M+H]+ME2419160.940.971.030.961.040.980.671.111.06
SM (d32:2) [M+H]+ME2420510.940.961.010.981.011.030.631.111.04
TG (56:8) B [M+Na]+ME2423310.900.991.090.931.110.990.631.110.87
CE (18:0) [Chol-head -H2O+H]+ME2417880.980.921.090.971.040.970.641.120.96
Cer (d40:1) [M+H-H2O]+ME2418530.990.951.080.991.060.980.611.090.86
PC (34:4) [M+H]+ME2419610.960.941.040.961.081.040.601.090.91
PC (36:6) [M+H]+ME2419780.910.961.020.981.061.030.441.130.98
PC (38:1) [M+H]+ME2419830.920.931.011.011.001.060.491.150.98
SM (d30:1) [M+H]+ME2420480.910.971.011.001.011.040.461.141.01
PC (35:4) [M+H]+ME2419660.950.941.070.981.071.010.441.100.94
PC (33:1) [M+H]+ME2419530.950.971.040.991.041.010.471.130.93
SM (d32:1) [M+H]+ME2420500.950.961.040.981.061.020.501.110.92
PC (35:3) [M+H]+ME2419650.920.941.050.991.091.050.501.090.86
SM (d33:1) [M+H]+ME2420520.960.961.040.981.061.020.531.130.87
PC (42:10) [M+H]+ME2420040.881.020.961.021.011.090.581.130.90
PC (40:8) [M+H]+ME2420030.920.991.001.031.011.070.571.080.90
SM (d32:0) [M+H]+ME2420490.921.011.000.991.031.080.571.090.88
PC (30:0) [M+H]+ME2419460.970.981.000.961.031.030.571.100.99
PC (38:6) A [M+H]+ME2419910.960.991.020.991.021.030.621.060.95
PE (p-40:4) or PE (o-40:5) A [M+H]+ME2420451.010.960.881.171.161.150.500.860.52
TG (51:4) [M+Na]+ME2421960.990.981.240.971.160.960.450.980.56
DG (36:2) [M+NH4]+ME2419040.880.941.270.981.190.910.501.100.63
TG (55:3) [M+Na]+ME2422800.860.881.261.091.080.940.531.180.61
CE (18:0) [2M+Na]+ME2417871.070.991.140.911.110.930.581.050.75
CE (18:0) [M+Na]+ME2417841.050.991.090.921.090.960.691.040.81
TG (56:5) A [M+K]+ME2422990.880.901.051.111.021.040.771.120.86
TG (56:6) [M+K]+ME2422960.910.951.021.121.021.060.731.040.80
PC (p-36:1) or PC (o-36:2) B [M+H]+ME2420120.931.031.080.971.041.090.681.030.71
Cer (d42:2) A [M+H]+ME2418610.970.951.051.051.001.070.721.090.72
LPC (18:2) [M+H]+ME2419340.891.001.061.100.971.060.651.090.73
PC (38:4) A [M+H]+ME2419861.010.891.110.951.111.020.741.150.62
PC (38:6) C [M+H]+ME2419930.950.901.080.981.131.030.681.190.64
Cer (d42:2) A [M+H-H2O]+ME2418620.980.931.071.061.021.100.601.130.54
PE (p-40:5) or PE (o-40:6) [M+H]+ME2420470.960.940.971.071.061.090.621.140.65
CE (22:6) [M+NH4]+ME2418370.910.931.071.051.051.050.591.200.64
TG (56:6) [M+Na]+ME2422950.890.931.101.091.071.040.621.090.67
PC (p-36:4) or PC (o-36:5) [M+H]+ME2420140.970.971.050.991.051.000.671.180.74
SM (d36:2) [M+H]+ME2420580.950.971.050.991.051.010.641.170.77
Cer (d38:1) [M+Na]+ME2418511.020.961.080.991.050.990.571.120.72
Cer (d40:1) [M+H]+ME2418520.980.931.111.021.120.990.631.070.66
Cer (d41:1) [M+H]+ME2418551.000.951.081.031.081.020.571.080.65
PC (37:4) [M+H]+ME2419800.950.961.081.011.111.040.541.110.63
PC (p-38:6) or PC (o-38:7) [M+H]+ME2420220.981.061.041.071.031.060.581.170.32
PC (40:7) B [M+H]+ME2420020.961.001.061.041.091.070.531.150.38
PC (p-40:6) or PC (o-40:7) A [M+H]+ME2420260.951.031.031.041.051.070.551.140.48
PC (31:0) [M+H]+ME2419471.031.011.071.031.051.020.431.090.54
PC (33:2) [M+H]+ME2419540.960.991.091.031.131.090.411.070.43
PE (p-40:4) or PE (o-40:5) B [M+H]+ME2420460.910.990.991.051.131.160.711.000.55
PC (36:4) A [M+H]+ME2419710.891.001.011.061.081.160.591.000.61
PC (p-42:2) or PC (o-42:3) [M+H]+ME2420280.891.051.041.091.061.110.521.020.54
PC (p-38:3) or PC (o-38:4) A [M+H]+ME2420161.020.981.140.911.101.000.851.150.52
PC (p-40:6) or PC (o-40:7) B [M+H]+ME2420270.911.011.001.021.071.040.691.190.51
PC (40:7) A [M+H]+ME2420010.990.971.090.941.071.130.731.060.56
PC (38:2) [M+H]+ME2419840.960.991.071.031.081.070.891.080.49
PC (p-36:1) or PC (o-36:2) A [M+H]+ME2420110.951.051.041.041.041.070.811.040.52
PC (p-38:5) or PC (o-38:6) B [M+H]+ME2420210.971.011.061.021.061.050.801.110.50
LPC (14:0) [M+H]+ME2419281.021.051.071.100.981.030.641.010.51
Cer (d34:1) [M+H-H2O]+ME2418441.001.031.071.051.081.040.751.080.37
SM (d41:2) B [M+H]+ME2420690.991.021.071.041.081.060.601.100.41
PC (p-40:3) or PC (o-40:4) [M+H]+ME2420231.021.021.071.021.101.050.641.060.40
PC (p-40:4) or PC (o-40:5) [M+H]+ME2420241.011.021.081.021.101.050.701.060.38
Cer (d42:1) [M+H-H2O]+ME2418591.020.971.101.011.131.020.751.040.49
PC (p-42:5) or PC (o-42:6) B [M+H]+ME2420310.941.051.071.031.061.050.691.100.49
PC (p-44:4) or PC (o-44:5) [M+H]+ME2420321.001.011.091.021.091.040.651.030.50
PE (p-36:2) or PE (o-36:3) [M+H]+ME2420410.980.991.061.031.081.070.661.070.51
TG (50:0) [M+Na]+ME2421660.830.841.131.120.981.091.151.200.67
LPC (16:1) [M+H]+ME2419311.011.051.010.990.930.951.371.130.85
TG (50:0) [M+K]+ME2421670.970.961.061.050.971.051.411.090.64
Acylcarnitine (C10:1) [M+H]+ME2417561.131.130.710.891.171.240.930.780.73
Acylcarnitine (C18:1) [M+H]+ME2417621.171.201.000.871.060.950.960.960.48
LPC (20:4) [M+H]+ME2419371.101.161.041.040.930.940.911.010.56
TG (56:7) A [M+K]+ME2422901.071.150.871.030.971.180.990.880.56
DG (36:0) [M+Na]+ME2419141.071.061.031.011.041.031.090.960.55
CE (18:1) [M+Na]+ME2417901.151.150.960.951.021.021.120.900.59
CE (18:2) [M+Na]+ME2417961.171.140.950.981.001.021.130.850.66
TG (56:8) B [M+NH4]+ME2423300.690.751.051.241.001.260.421.220.73
TG (56:5) B [M+Na]+ME2423010.750.750.871.340.921.320.641.230.73
TG (58:10) [M+NH4]+ME2423660.700.801.011.250.981.210.671.230.77
DG (34:2) [M+NH4]+ME2418920.720.771.141.111.091.100.751.120.99
LPE (18:2) [M+H]+ME2419410.600.701.161.231.101.130.681.240.84
TG (53:4) [M+NH4]+ME2422220.810.811.171.121.071.110.381.120.74
TG (58:8) [M+NH4]+ME2423420.730.811.151.111.101.020.451.320.77
DG (36:4) A [M+NH4]+ME2418800.660.701.091.131.141.250.451.071.05
TG (56:7) A [M+NH4]+ME2422880.630.671.141.121.141.200.391.210.98
TG (50:4) [M+Na]+ME2421750.650.611.211.181.181.200.371.160.84
TG (56:8) A [M+NH4]+ME2423270.650.721.181.211.181.160.431.120.72
TG (54:5) A [M+Na]+ME2422380.500.561.371.181.241.060.491.300.82
TG (59:3) [M+Na]+ME2423700.430.461.471.221.261.000.401.330.85
TG (46:0) [M+NH4]+ME2421230.570.531.291.251.101.140.671.380.72
TG (59:2) [M+K]+ME2423740.490.501.261.271.051.210.491.260.78
TG (54:6) A [M+K]+ME2422780.510.601.261.221.161.030.561.281.13
TG (57:2) [M+Na]+ME2423340.620.621.351.191.121.020.441.171.04
TG (54:3) [M+NH4]+ME2422460.630.651.461.011.260.850.451.291.02
TG (54:2) [M+Na]+ME2422500.700.731.341.061.150.900.601.241.01
TG (54:4) [M+Na]+ME2422440.670.701.321.041.210.960.611.210.98
TG (42:0) [M+K]+ME2420920.690.671.620.901.270.760.731.270.96
TG (48:2) [M+K]+ME2421430.690.671.340.921.270.950.711.410.80
PC (36:5) A [M+H]+ME2419740.720.910.861.031.021.600.530.880.87
DG (38:6) [M+Na]+ME2418750.750.761.081.001.211.340.690.960.82
PC (28:0) [M+H]+ME2419450.740.771.010.981.211.230.611.101.06
TG (51:5) [M+Na]+ME2421930.870.850.941.060.901.370.420.931.20
PE (36:4) [M+H]+ME2420360.810.850.951.080.991.160.501.081.24
TG (56:7) A [M+Na]+ME2422890.820.900.991.071.031.170.670.971.13
TG (51:5) [M+NH4]+ME2421920.670.621.041.220.911.480.430.941.28
TG (56:5) B [M+K]+ME2423020.770.730.921.240.861.350.910.911.38
Acylcarnitine (C10:0) [M+H]+ME2417551.451.400.810.651.050.980.500.710.86
TG (58:9) [M+K]+ME2423411.091.221.360.651.370.671.070.820.66
CE (16:1) [Chol-head -H2O+H]+ME2417820.080.100.120.110.140.150.091.855.45
TG (50:3) B [M+K]+ME2421820.390.380.370.940.370.830.451.346.18
TG (50:3) B [M+Na]+ME2421810.310.260.311.100.261.110.391.465.79
PE (36:2) [M+H]+ME2420350.680.670.800.760.810.830.661.333.56
TG (54:6) C [M+K]+ME2422750.720.730.550.920.571.000.861.084.01
TG (54:5) B [M+K]+ME2422420.710.690.811.110.931.000.961.142.33
TG (54:6) C [M+NH4]+ME2422730.550.510.911.030.911.140.341.043.03
PC (36:4) B [M+H]+ME2419720.730.710.690.870.651.150.631.233.16
TG (51:1) [M+NH4]+ME2421890.640.850.801.090.930.810.600.982.86
TG (52:2) [M+K]+ME2422060.680.750.890.850.820.770.481.202.93
TG (54:6) C [M+Na]+ME2422740.750.770.870.810.890.890.741.113.04
TG (46:4) B [M+K]+ME2421100.270.300.611.100.611.220.231.493.47
TG (54:7) B [M+Na]+ME2422680.270.280.321.680.321.740.221.283.31
TG (54:7) B [M+NH4]+ME2422670.220.220.301.620.291.980.151.043.70
TG (50:3) B [M+NH4]+ME2421800.380.350.581.150.521.170.280.785.24
TG (54:7) B [M+K]+ME2422690.330.400.381.170.371.350.411.095.00
TG (48:4) B [M+Na]+ME2421360.130.090.261.520.261.730.140.804.73
TG (48:4) B [M+K]+ME2421370.210.170.421.640.401.180.210.914.39
TG (48:4) B [M+NH4]+ME2421350.110.120.241.570.171.600.090.754.00

Factors:

F1Collection Time (hours):0-h | Phenotype:CF
F2Collection Time (hours):0-h | Phenotype:GF
F3Collection Time (hours):2-h | Phenotype:CF
F4Collection Time (hours):2-h | Phenotype:GF
F5Collection Time (hours):4-h | Phenotype:CF
F6Collection Time (hours):4-h | Phenotype:GF
F7Collection Time (hours):NIST | Phenotype:NIST
F8Collection Time (hours):QC | Phenotype:QC
F9Collection Time (hours):Rep | Phenotype:Rep
Data matrix
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