Clustering data with hclust algorithm for Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography−High-Resolution Mass Spectrometry Platforms (part VIII) (Study ST000990)

Reversed phase POSITIVE ION MODE (Analysis AN001616)
MetaboliteStructureF1F2F3F4F5F6F7F8F9
DG (32:1) [M+K]+ME2467140.740.930.910.770.950.878.161.310.81
DG (36:1) [M+K]+ME2467350.481.271.050.471.180.963.891.500.93
TG (50:5) [M+K]+ME2469960.320.610.590.271.821.880.081.181.74
TG (52:5) [M+NH4]+ME2470390.390.600.610.371.821.920.211.061.43
TG (50:5) [M+Na]+ME2469950.350.680.630.291.801.850.131.151.56
TG (50:5) [M+NH4]+ME2469940.340.650.610.281.841.900.141.151.51
TG (54:7) B [M+Na]+ME2470910.490.560.540.451.732.050.390.901.40
TG (56:9) [M+K]+ME2471490.380.470.480.411.632.310.231.071.39
TG (56:9) [M+Na]+ME2471480.340.520.550.401.682.200.211.141.32
TG (56:9) [M+NH4]+ME2471470.310.470.550.351.782.180.211.151.37
TG (50:3) B [M+K]+ME2470050.310.290.320.252.121.840.281.382.09
TG (52:6) [M+NH4]+ME2470360.260.360.380.202.152.010.151.291.71
TG (52:6) [M+K]+ME2470380.340.410.410.281.941.890.151.331.91
TG (52:6) [M+Na]+ME2470370.340.420.460.291.941.890.191.361.73
TG (50:6) [M+K]+ME2469930.150.510.490.132.012.020.111.261.93
TG (50:6) [M+Na]+ME2469920.150.560.580.111.991.950.031.401.68
TG (50:6) [M+NH4]+ME2469910.120.600.590.122.011.950.071.391.61
TG (58:3) [M+NH4]+ME2471770.070.660.500.062.321.720.071.441.62
TG (58:3) [M+K]+ME2471790.150.580.530.152.141.620.061.511.88
TG (60:3) [M+K]+ME2472090.120.770.560.132.031.590.161.521.84
TG (60:3) [M+Na]+ME2472080.090.780.620.082.101.640.121.491.67
TG (60:3) [M+NH4]+ME2472070.100.740.600.082.181.640.131.441.64
TG (54:6) B [M+Na]+ME2470940.200.660.550.231.971.690.161.441.72
TG (60:5) [M+K]+ME2472030.300.560.480.302.001.610.251.431.81
TG (56:5) A [M+NH4]+ME2471200.160.400.510.222.071.820.041.561.76
TG (54:7) A [M+K]+ME2470890.180.460.410.192.161.790.231.551.73
TG (54:7) A [M+Na]+ME2470880.180.450.390.202.241.770.221.461.78
TG (60:5) [M+NH4]+ME2472010.040.070.070.042.802.000.041.931.42
TG (48:6) [M+K]+ME2469510.040.050.070.042.321.870.030.961.94
TG (42:3) [M+K]+ME2469060.150.540.340.112.441.720.161.251.95
TG (62:3) [M+Na]+ME2472200.090.480.410.092.381.750.081.431.88
TG (62:3) [M+NH4]+ME2472190.110.520.430.102.341.730.111.451.79
TG (48:5) [M+Na]+ME2469530.020.450.330.022.441.880.011.511.89
TG (42:3) [M+Na]+ME2469050.020.540.320.022.441.810.021.391.88
TG (42:3) [M+NH4]+ME2469040.020.620.340.022.431.800.011.461.81
TG (48:5) [M+K]+ME2469540.030.380.250.022.491.890.031.492.05
TG (60:4) [M+K]+ME2472060.080.330.350.102.371.830.131.462.11
TG (54:7) A [M+NH4]+ME2470870.140.350.310.152.481.840.161.371.80
TG (48:5) [M+NH4]+ME2469520.020.390.310.022.571.910.001.411.84
TG (60:4) [M+NH4]+ME2472040.040.320.260.032.581.940.061.481.83
TG (46:5) [M+Na]+ME2469260.060.370.190.052.691.790.031.392.01
TG (46:5) [M+NH4]+ME2469250.060.440.250.052.591.770.041.431.92
TG (60:6) [M+Na]+ME2471990.050.060.060.052.622.150.061.462.15
TG (48:6) [M+Na]+ME2469500.010.020.020.012.632.140.011.392.01
TG (48:6) [M+NH4]+ME2469490.010.040.030.012.712.190.011.512.05
TG (46:3) B [M+Na]+ME2469380.020.070.050.012.602.100.011.722.06
TG (58:4) [M+NH4]+ME2471740.050.060.060.062.742.000.031.601.98
TG (58:5) [M+Na]+ME2471720.180.290.240.182.351.840.141.561.90
TG (60:6) [M+NH4]+ME2471980.160.180.170.162.442.010.091.481.91
TG (64:4) [M+Na]+ME2472290.120.110.150.122.611.970.121.392.11
TG (64:4) [M+NH4]+ME2472280.080.140.110.082.672.010.091.451.97
TG (58:4) [M+Na]+ME2471750.050.280.230.082.551.940.061.412.00
TG (62:4) [M+Na]+ME2472170.090.190.180.092.562.010.061.401.99
TG (60:4) [M+Na]+ME2472050.030.170.140.032.582.040.031.572.04
TG (46:3) B [M+NH4]+ME2469370.020.230.170.022.572.070.021.531.91
TG (62:4) [M+NH4]+ME2472160.060.210.180.072.621.980.051.481.89
TG (58:5) [M+NH4]+ME2471710.110.160.150.112.591.850.061.641.96
TG (64:3) [M+Na]+ME2472320.080.110.110.102.631.860.191.461.83
TG (50:3) B [M+Na]+ME2470040.080.110.100.092.242.200.111.672.23
TG (46:3) B [M+K]+ME2469390.040.100.080.032.472.350.021.302.27
TG (54:8) [M+NH4]+ME2470840.020.020.030.022.642.410.011.391.91
TG (60:5) [M+Na]+ME2472020.100.120.120.082.372.280.081.472.01
TG (54:8) [M+K]+ME2470860.030.040.040.032.432.380.021.542.11
TG (54:8) [M+Na]+ME2470850.020.030.030.032.502.390.011.552.00
DG (36:4) B [M+Na]+ME2467070.120.140.130.132.022.840.101.221.69
DG (36:4) B [M+NH4]+ME2467060.070.060.060.112.062.880.071.331.78
DG (36:6) [M+NH4]+ME2466910.080.090.080.072.292.790.051.011.86
TG (54:9) [M+K]+ME2470830.050.060.070.072.172.720.071.342.01
TG (54:9) [M+Na]+ME2470820.010.010.000.002.122.650.011.251.80
TG (54:9) [M+NH4]+ME2470810.000.000.000.002.312.770.001.251.83
DG (36:5) [M+NH4]+ME2466940.140.210.170.122.003.020.100.841.66
TG (56:10) [M+Na]+ME2471450.140.130.150.162.162.890.070.991.50
TG (56:10) [M+NH4]+ME2471440.160.200.170.192.022.860.081.141.38
DG (36:6) [M+Na]+ME2466920.070.060.070.071.872.270.060.701.59
TG (54:7) B [M+NH4]+ME2470900.210.380.310.222.052.450.191.031.55
TG (46:4) B [M+NH4]+ME2469310.060.190.150.042.722.580.020.392.17
TG (48:4) B [M+Na]+ME2469590.090.530.410.072.162.410.070.682.00
TG (54:6) B [M+NH4]+ME2470930.120.430.350.152.452.100.070.781.97
TG (48:4) B [M+NH4]+ME2469580.101.110.780.071.632.090.030.771.81
PC (34:3) C [M+H]+ME2467830.250.450.460.361.452.640.081.281.28
LPC (18:3) [M+H]+ME2467580.540.540.490.631.452.380.500.920.88
TG (50:3) B [M+NH4]+ME2470030.390.520.450.322.022.580.270.570.83
PE (36:2) [M+H]+ME2468580.191.651.260.191.991.340.120.660.35
PC (36:4) B [M+H]+ME2467950.620.590.700.601.221.971.250.651.91
HexCer (d42:1) [M-H2O+H]+ME2467460.631.222.430.650.710.630.591.040.70
TG (40:0) [M+Na]+ME2469020.191.511.070.171.411.031.081.781.13
TG (40:0) [M+NH4]+ME2469010.201.511.070.191.411.031.051.761.09
TG (40:0) [M+K]+ME2469030.111.581.010.091.451.010.891.891.30
TG (42:0) [M+K]+ME2469150.171.681.100.141.290.940.791.821.29
TG (42:0) [M+Na]+ME2469140.241.551.130.221.310.990.771.741.15
TG (40:1) [M+K]+ME2469000.201.941.200.191.200.800.361.770.68
TG (40:1) [M+Na]+ME2468990.091.871.260.061.290.880.651.811.10
TG (40:1) [M+NH4]+ME2468980.071.841.280.051.320.920.691.781.07
TG (42:1) [M+K]+ME2469120.051.921.410.041.250.870.181.771.08
TG (42:1) [M+Na]+ME2469110.051.861.380.041.280.930.251.771.03
TG (42:1) [M+NH4]+ME2469100.051.891.370.041.280.940.281.780.99
TG (46:2) [M+K]+ME2469420.181.451.290.151.351.070.131.591.39
TG (46:2) [M+Na]+ME2469410.191.461.250.161.351.100.161.631.27
TG (44:2) [M+K]+ME2469180.101.541.180.061.471.100.071.561.43
TG (48:4) A [M+K]+ME2469570.071.471.230.061.471.190.011.631.32
TG (48:4) A [M+Na]+ME2469560.071.421.210.071.531.230.041.601.27
TG (46:2) [M+NH4]+ME2469400.141.401.180.111.491.200.101.601.27
TG (44:2) [M+Na]+ME2469170.111.511.200.081.481.120.121.641.27
TG (44:2) [M+NH4]+ME2469160.111.491.160.081.531.160.131.631.24
TG (42:2) [M+K]+ME2469090.031.571.010.021.651.030.031.731.37
TG (42:2) [M+Na]+ME2469080.021.561.070.011.631.090.041.781.29
TG (42:2) [M+NH4]+ME2469070.031.531.070.021.661.110.061.761.25
TG (48:4) A [M+NH4]+ME2469550.081.321.090.061.681.300.041.561.27
TG (46:4) A [M+Na]+ME2469290.131.451.020.111.651.150.041.581.35
TG (46:4) A [M+NH4]+ME2469280.131.421.050.101.651.150.031.581.32
TG (42:0) [M+NH4]+ME2469130.221.391.020.201.491.100.631.731.20
TG (44:0) [M+K]+ME2469240.191.451.000.181.471.070.381.671.47
TG (56:1) [M+Na]+ME2471390.231.511.200.211.331.070.341.531.31
TG (56:1) [M+NH4]+ME2471380.231.471.140.211.411.110.331.521.30
TG (44:0) [M+Na]+ME2469230.271.411.050.251.401.060.471.691.26
TG (44:0) [M+NH4]+ME2469220.231.441.100.201.391.110.331.681.22
TG (59:3) [M+NH4]+ME2471920.231.791.330.201.291.070.141.111.26
TG (59:2) [M+Na]+ME2471960.221.721.440.281.140.890.391.421.23
TG (59:2) [M+NH4]+ME2471950.261.691.420.291.200.890.321.421.12
TG (44:1) [M+K]+ME2469210.161.821.540.141.090.900.211.551.24
TG (44:1) [M+Na]+ME2469200.191.751.430.171.130.940.361.611.12
TG (46:3) A [M+K]+ME2469360.201.701.400.151.160.980.051.491.30
TG (46:1) [M+NH4]+ME2469430.231.621.440.201.141.030.221.571.14
TG (48:3) [M+K]+ME2469630.261.581.450.221.151.020.181.531.14
TG (48:3) [M+Na]+ME2469620.261.601.430.221.171.020.171.511.10
TG (46:3) A [M+NH4]+ME2469340.221.551.310.171.331.120.131.491.14
TG (46:3) A [M+Na]+ME2469350.221.591.360.171.271.070.141.501.15
TG (48:3) [M+NH4]+ME2469610.201.611.410.161.261.080.101.501.10
TG (44:1) [M+NH4]+ME2469190.171.601.320.141.281.070.291.611.15
TG (46:1) [M+K]+ME2469450.241.571.320.231.180.980.351.611.28
TG (46:1) [M+Na]+ME2469440.271.561.360.261.161.000.341.571.17
TG (54:6) A [M+NH4]+ME2470990.381.401.170.421.300.770.361.621.41
TG (56:1) [M+K]+ME2471400.241.611.170.191.301.020.161.491.47
TG (60:1) [M+Na]+ME2472140.391.741.070.371.200.880.351.311.48
TG (60:1) [M+NH4]+ME2472130.421.651.410.271.080.830.441.371.39
TG (58:1) [M+Na]+ME2471840.281.601.260.251.220.970.451.441.42
TG (58:1) [M+NH4]+ME2471830.311.601.250.271.220.960.451.461.33
TG (50:0) [M+Na]+ME2469890.680.870.650.551.211.090.611.292.56
TG (52:0) [M+NH4]+ME2470330.331.150.640.361.341.060.551.812.15
DG (36:4) A [M+K]+ME2467050.501.071.090.571.191.370.210.991.55
TG (51:5) [M+NH4]+ME2470150.600.920.880.521.301.640.181.051.29
TG (56:5) B [M+NH4]+ME2471230.690.660.650.591.531.160.471.481.78
TG (62:3) [M+K]+ME2472210.540.740.770.411.701.220.551.181.98
TG (56:4) [M+K]+ME2471310.330.840.730.491.551.340.331.621.58
TG (56:3) [M+Na]+ME2471330.360.890.750.341.771.420.281.401.38
TG (58:6) [M+Na]+ME2471690.470.610.590.491.781.470.331.381.59
TG (58:6) [M+NH4]+ME2471680.440.590.560.481.841.490.291.411.57
TG (54:6) B [M+K]+ME2470950.240.730.620.281.841.600.261.491.65
TG (56:3) [M+NH4]+ME2471320.280.780.660.271.941.490.221.471.48
TG (56:4) [M+NH4]+ME2471290.350.680.630.361.931.480.261.411.51
TG (52:5) [M+Na]+ME2470400.470.620.530.451.481.880.271.231.79
TG (52:5) [M+K]+ME2470410.520.700.650.511.501.660.401.281.46
TG (56:5) B [M+K]+ME2471250.600.690.750.571.441.470.371.321.52
TG (58:2) [M+Na]+ME2471810.161.120.870.131.721.370.461.521.55
TG (58:2) [M+NH4]+ME2471800.151.060.800.121.851.410.391.481.54
TG (56:2) [M+Na]+ME2471360.191.100.890.201.721.350.251.501.43
TG (56:2) [M+NH4]+ME2471350.171.040.820.171.861.420.231.481.41
TG (58:2) [M+K]+ME2471820.141.150.700.141.701.410.381.541.80
TG (62:2) [M+Na]+ME2472230.151.010.780.181.831.330.231.441.89
TG (56:2) [M+K]+ME2471370.201.100.860.191.731.250.281.521.65
TG (62:2) [M+NH4]+ME2472220.271.070.830.201.711.270.271.431.78
TG (60:2) [M+K]+ME2472120.281.380.910.221.311.170.431.531.84
TG (60:2) [M+Na]+ME2472110.211.301.020.151.551.200.381.451.60
TG (60:2) [M+NH4]+ME2472100.231.311.040.181.541.160.441.451.53
TG (49:0) [M+NH4]+ME2469730.321.000.970.431.251.460.621.261.83
TG (50:0) [M+NH4]+ME2469880.371.240.930.471.251.130.781.491.57
TG (56:3) [M+K]+ME2471340.530.990.840.531.451.150.611.401.47
CE (18:0) [Chol-head -H2O+H]+ME2466110.610.821.071.661.391.040.310.530.46
HexCer (d42:2) [M-H2O+H]+ME2467490.581.231.660.650.990.870.161.151.08
PC (p-38:6) or PC (o-38:7) [M+H]+ME2468451.031.341.251.000.620.770.281.270.87
TG (49:2) [M+K]+ME2469811.071.381.161.010.770.530.551.011.39
TG (51:2) [M+K]+ME2470111.181.370.941.100.850.690.220.921.09
CE (16:1) [Chol-head -H2O+H]+ME2466051.101.081.310.950.941.040.950.680.69
PC (p-38:3) or PC (o-38:4) A [M+H]+ME2468391.151.121.290.811.030.960.860.920.50
TG (48:0) [M+K]+ME2469721.141.101.041.060.991.000.890.940.42
TG (48:0) [M+Na]+ME2469711.131.081.061.031.011.020.900.960.43
LPC (22:5) [M+H]+ME2467621.090.930.821.291.030.930.961.010.75
CE (18:3) [2M+Na]+ME2466281.120.850.861.260.891.150.911.010.68
CE (18:3) [M+Na]+ME2466251.130.900.911.190.941.061.080.980.71
CE (20:3) [M+Na]+ME2466371.380.840.971.250.890.971.050.820.64
CE (20:4) [M+Na]+ME2466431.161.041.071.120.890.881.170.960.73
Acylcarnitine (C18:1) [M+H]+ME2465851.190.961.051.200.870.891.000.910.80
CE (20:4) [2M+Na]+ME2466461.201.041.081.130.880.840.950.980.72
CE (18:2) [2M+Na]+ME2466221.111.030.881.120.991.051.280.800.85
CE (16:1) [M+NH4]+ME2466000.980.960.971.011.000.981.171.240.81
CE (16:1) [M+Na]+ME2466011.020.950.971.070.980.981.371.140.76
LPC (16:1) [M+H]+ME2467541.011.000.921.041.080.941.341.070.82
TG (58:9) [M+K]+ME2471640.891.311.281.090.750.690.721.140.89
TG (56:8) B [M+K]+ME2471550.901.121.101.040.860.860.621.151.10
TG (58:9) [M+Na]+ME2471630.851.241.190.940.910.850.701.190.85
DG (36:2) [M+Na]+ME2467280.841.291.260.850.950.840.681.011.04
DG (36:2) [M+NH4]+ME2467270.871.221.210.860.950.860.661.150.99
TG (58:8) [M+Na]+ME2471660.721.251.120.840.980.860.581.460.93
LPE (20:4) [M+H]+ME2467650.771.150.980.791.200.950.811.290.95
TG (54:4) [M+K]+ME2470680.711.251.160.721.081.010.731.180.98
TG (54:2) [M+K]+ME2470740.711.311.150.741.070.900.711.221.02
TG (54:2) [M+Na]+ME2470730.671.351.160.691.100.890.671.280.99
TG (54:3) [M+Na]+ME2470700.721.411.190.701.070.890.721.150.89
TG (54:4) [M+Na]+ME2470670.671.331.260.651.100.950.631.200.92
TG (53:2) [M+K]+ME2470530.901.160.960.930.990.840.251.221.29
Cer (d42:2) B [M+H-H2O]+ME2466880.940.991.040.930.960.990.381.141.25
TG (51:4) [M+Na]+ME2470190.911.151.070.850.990.980.331.071.20
Cer (d38:1) [M+H]+ME2466720.981.071.060.900.960.940.291.131.18
Cer (d38:1) [M+Na]+ME2466740.981.051.020.891.000.940.221.131.23
TG (51:3) [M+NH4]+ME2470210.871.121.030.781.051.030.341.061.32
TG (53:3) [M+K]+ME2470500.861.130.990.881.040.900.401.171.28
TG (49:2) [M+NH4]+ME2469790.911.120.990.811.040.930.371.201.27
TG (51:2) [M+NH4]+ME2470090.901.080.950.871.070.920.351.201.26
TG (49:1) [M+NH4]+ME2469820.871.110.970.831.030.960.411.141.38
TG (51:1) [M+NH4]+ME2470120.871.060.960.811.100.940.461.231.34
Cer (d36:1) [M+H]+ME2466690.981.000.920.971.010.930.381.251.18
Cer (d41:1) [M+H-H2O]+ME2466790.901.061.040.880.981.010.421.231.06
Cer (d40:1) [M+H-H2O]+ME2466760.931.101.110.881.000.940.411.121.08
TG (53:3) [M+Na]+ME2470490.901.131.040.891.010.920.461.171.11
TG (53:4) [M+Na]+ME2470460.831.151.050.851.050.980.441.151.10
TG (51:2) [M+Na]+ME2470100.991.121.010.970.980.830.491.151.12
TG (51:3) [M+Na]+ME2470220.951.151.050.930.960.880.461.121.14
TG (53:2) [M+Na]+ME2470520.941.140.990.931.020.850.441.201.11
TG (53:2) [M+NH4]+ME2470510.901.110.970.901.070.890.391.221.14
TG (49:1) [M+K]+ME2469840.941.120.990.930.900.820.511.181.53
TG (49:1) [M+Na]+ME2469830.951.101.000.930.980.860.551.121.33
TG (49:2) [M+Na]+ME2469800.981.201.070.930.870.790.501.171.23
TG (49:3) [M+Na]+ME2469771.011.281.120.900.810.710.331.161.34
TG (51:3) [M+K]+ME2470230.991.151.021.070.890.810.341.001.33
TG (50:2) [M+K]+ME2470080.831.230.990.751.160.800.781.111.41
TG (53:0) [M+NH4]+ME2470570.941.170.790.891.070.920.781.101.36
TG (49:0) [M+Na]+ME2469740.841.110.920.811.050.950.621.211.44
DG (34:3) [M+NH4]+ME2467000.881.071.010.830.990.960.781.121.43
TG (56:5) A [M+K]+ME2471220.871.000.940.881.111.010.761.071.32
TG (52:4) [M+Na]+ME2470430.811.001.030.841.071.090.701.161.15
TG (56:7) A [M+Na]+ME2471120.830.971.000.901.071.150.651.061.12
TG (58:10) [M+K]+ME2471910.681.080.980.921.101.100.781.101.15
TG (58:10) [M+Na]+ME2471900.701.091.030.851.071.110.731.211.04
Cer (d34:1) [M+H-H2O]+ME2466670.861.011.040.861.010.920.561.341.22
TG (56:8) B [M+Na]+ME2471540.851.071.070.920.930.860.591.341.22
Cer (d34:1) [M+Na]+ME2466680.971.070.990.920.930.950.771.151.20
TG (56:6) [M+K]+ME2471190.841.000.990.871.111.000.571.131.27
TG (56:6) [M+Na]+ME2471180.861.061.020.871.071.000.551.131.15
Cer (d34:1) [M+H]+ME2466660.911.040.940.881.011.020.551.201.21
TG (51:1) [M+Na]+ME2470130.961.060.930.851.020.960.641.221.20
HexCer (d42:2) [M+Na]+ME2467500.861.070.980.951.001.000.661.161.13
TG (56:7) B [M+Na]+ME2471150.911.080.921.001.010.910.601.211.14
TG (50:3) A [M+K]+ME2470020.851.091.050.831.030.960.781.161.23
TG (56:0) [M+Na]+ME2471420.791.181.080.751.040.980.801.171.21
TG (56:0) [M+NH4]+ME2471410.791.191.070.741.060.980.761.191.12
TG (52:3) [M+NH4]+ME2470240.761.091.110.771.081.000.521.221.20
TG (50:2) [M+NH4]+ME2470060.761.141.050.741.090.970.661.231.27
TG (50:3) A [M+Na]+ME2470010.811.121.080.781.040.970.641.191.24
DG (36:2) [M+K]+ME2467290.831.271.180.840.960.850.561.101.18
TG (55:3) [M+Na]+ME2471030.771.241.100.801.040.900.391.211.16
TG (52:2) [M+NH4]+ME2470270.831.191.100.821.020.870.571.221.12
TG (56:6) [M+NH4]+ME2471170.811.121.100.841.040.940.511.191.14
CE (22:2) [2M+Na]+ME2466580.920.830.931.100.991.100.840.961.31
TG (56:7) A [M+K]+ME2471130.870.880.901.001.061.170.741.041.19
CE (18:3) [Chol-head -H2O+H]+ME2466291.200.920.830.950.940.890.811.211.30
CE (22:2) [2M+NH4]+ME2466571.050.920.870.990.960.940.521.201.34
DG (34:0) [M+K]+ME2467320.860.920.910.941.001.001.061.431.09
DG (32:0) [M+Na]+ME2467220.881.020.980.890.981.001.181.311.01
DG (32:0) [M+NH4]+ME2467210.861.010.990.891.000.991.091.361.02
DG (36:0) [M+K]+ME2467381.010.910.881.010.910.980.891.401.06
CE (16:1) [M+Chol-head -H2O+H]+ME2466020.941.040.940.941.050.850.971.480.76
DG (34:0) [M+Na]+ME2467310.950.970.960.940.990.950.961.370.93
DG (34:0) [M+NH4]+ME2467300.950.970.960.930.990.960.961.410.93
DG (36:0) [M+Na]+ME2467370.970.990.970.960.970.940.931.390.88
DG (36:0) [M+NH4]+ME2467360.970.960.970.950.970.930.961.430.87
LPC (20:5) [M+H]+ME2467610.930.880.761.231.170.960.591.170.91
LPE (22:6) [M+H]+ME2467670.861.010.811.101.190.920.671.200.95
CE (18:3) [2M+NH4]+ME2466270.960.860.871.101.031.160.721.150.81
CE (20:2) [M+Na]+ME2466310.940.880.831.251.111.120.590.920.84
LPC (18:1) [M+H]+ME2467561.081.050.941.111.040.920.851.000.72
LPC (20:4) [M+H]+ME2467601.101.020.901.131.080.900.881.040.67
TG (50:0) [M+K]+ME2469901.091.051.031.041.021.030.810.930.62
TG (52:0) [M+K]+ME2470351.031.031.021.041.011.050.810.940.76
TG (52:0) [M+Na]+ME2470341.051.031.021.041.011.040.820.960.70
CE (20:5) [M+Na]+ME2466491.010.960.971.151.011.000.721.130.62
CE (16:1) [2M+NH4]+ME2466031.010.990.991.041.020.960.861.170.74
PC (p-34:1) or PC (o-34:2) [M+H]+ME2468320.920.960.961.051.091.040.871.140.74
PC (p-36:1) or PC (o-36:2) A [M+H]+ME2468340.951.011.001.011.061.040.801.070.76
1_CE (22:1) [M+Chol-head -H2O+H]+ ISTDME2465501.010.980.871.001.071.030.820.981.13
HexCer (d42:2) [M+H]+ME2467480.851.030.920.981.071.000.761.151.08
PC (34:3) B [M+H]+ME2467820.880.910.961.041.071.040.731.141.02
CE (18:2) [M+Chol-head -H2O+H]+ME2466201.001.020.961.001.020.990.860.991.06
1_TG d5 (17:0/17:1/17:0) ISTD [M+NH4]+ME2465730.971.000.970.961.040.970.801.081.10
LPC (14:0) [M+H]+ME2467510.971.010.990.971.040.990.811.011.08
TG (52:4) [M+K]+ME2470440.900.951.000.941.031.040.851.121.11
PC (40:5) B [M+H]+ME2468210.931.011.020.951.011.000.881.081.07
TG (52:3) [M+Na]+ME2470250.921.021.020.921.040.990.791.101.07
TG (52:2) [M+Na]+ME2470280.981.081.030.961.010.910.791.080.98
Hex2Cer (d34:1) [M+Na]+ME2467410.941.001.030.971.031.040.791.031.00
PC (40:5) A [M+H]+ME2468200.920.991.000.971.041.020.741.120.98
PC (p-32:1) or PC (o-32:2) [M+H]+ME2468300.960.951.040.931.021.050.821.130.93
PC (40:6) A [M+H]+ME2468220.961.020.990.951.071.030.871.030.91
PC (38:2) [M+H]+ME2468070.951.011.030.941.021.000.861.090.97
CE (22:2) [M+NH4]+ME2466541.021.000.980.971.040.970.821.080.95
1_SM (d18:1/17:0) [M+H]+ ISTDME2465711.000.981.020.991.030.980.871.060.92
SM (d40:0) [M+H]+ME2468860.970.981.011.001.040.980.841.120.92
PC (38:4) B [M+H]+ME2468100.911.031.030.911.020.961.031.141.08
PC (40:4) [M+H]+ME2468190.930.991.010.951.001.010.991.111.06
PC (32:1) [M+H]+ME2467730.920.971.000.991.050.980.961.170.94
SM (d36:0) [M+H]+ME2468790.950.980.971.001.080.971.051.160.85
Acylcarnitine (C18:2) [M+H]+ME2465860.980.911.101.020.971.131.140.920.84
CE (18:1) [M+Na]+ME2466131.080.991.021.070.931.011.150.960.81
CE (18:2) [M+Na]+ME2466191.041.001.031.031.001.031.110.930.80
1_CE (22:1) [M+Na]+ ISTDME2465491.001.021.060.990.961.021.141.010.85
CE (16:0) [M+Na]+ME2465951.090.991.011.000.970.991.171.010.89
1_Cholesterol d7 [M-H2O+H]+ ISTDME2465571.030.991.011.021.010.991.130.950.93
Cholesterol [M-H2O+H]+ME2466901.031.011.031.021.000.991.120.950.87
TG (52:3) [M+K]+ME2470261.040.920.951.060.991.010.991.001.06
CE (18:1) [2M+Na]+ME2466161.100.981.011.130.930.970.930.970.82
CE (14:0) [Chol-head -H2O+H]+ME2465931.061.011.021.030.990.990.971.000.80
CE (18:2) [M+NH4]+ME2466181.061.011.031.000.981.010.951.010.81
CE (18:2) [2M+NH4]+ME2466211.071.001.021.050.980.980.861.020.80
CE (16:0) [Chol-head -H2O+H]+ME2465991.051.011.021.030.971.000.911.030.82
CE (18:1) [M+NH4]+ME2466121.061.001.041.030.951.010.911.030.78
TG (54:0) [M+NH4]+ME2470781.021.011.001.001.021.050.830.970.88
CE (16:0) [2M+Na]+ME2465981.060.980.991.050.950.990.981.050.90
1_CUDA [M+H]+ ISTDME2465581.011.011.011.010.981.011.011.010.91
1_DG (12:0/12:0/0:0) [M+Na]+ ISTDME2465601.021.011.031.001.020.980.980.990.88
1_DG (12:0/12:0/0:0) [M+K]+ ISTDME2465611.021.021.021.001.020.990.990.970.90
1_DG (18:1/2:0/0:0) [M+K]+ ISTDME2465641.011.011.041.011.011.000.990.970.90
1_MG (17:0/0:0/0:0) [M+Na]+ ISTDME2465681.021.001.031.011.010.990.980.980.90
1_DG (18:1/2:0/0:0) [M+NH4]+ ISTDME2465621.011.001.051.001.010.960.991.040.89
CE (16:0) [M+NH4]+ME2465941.031.001.051.000.960.981.011.070.86
TG (52:2) [M+K]+ME2470291.071.010.991.051.000.950.920.990.92
1_CE (22:1) [M+NH4]+ ISTDME2465481.011.001.041.020.991.000.911.020.85
1_CE (22:1) [2M+Na]+ ISTDME2465521.021.011.021.011.001.000.910.980.88
1_CE (22:1) [Chol-head -H2O+H]+ ISTDME2465531.011.011.031.021.001.000.911.000.88
1_TG d5 (17:0/17:1/17:0) ISTD [M+Na]+ME2465741.031.001.001.021.000.980.920.990.96
1_Cer (d18:1/17:0) [M+H-H2O]+ ISTDME2465550.991.000.990.991.020.990.931.050.97
1_Cer (d18:1/17:0) [M+H]+ ISTDME2465541.001.000.990.991.020.980.941.050.98
1_PE (17:0/17:0) [M+H]+ ISTDME2465701.011.000.991.001.030.980.921.020.98
CE (22:2) [M+Na]+ME2466551.000.991.011.011.010.990.921.010.98
1_LPC (17:0) [M+H]+ ISTDME2465651.011.021.011.011.030.990.950.980.91
1_LPE (17:1) [M+H]+ ISTDME2465661.011.021.011.001.030.990.900.990.90
LPE (22:3) [M+H]+ME2467661.031.021.001.001.030.990.910.970.92
TG (64:2) [M+Na]+ME2472351.021.010.991.021.020.990.911.010.90
TG (64:2) [M+NH4]+ME2472341.021.000.991.011.030.980.921.030.92
1_Sphingosine (d17:1) [M+H]+ ISTDME2465721.011.010.990.991.031.000.961.020.95
1_PC (12:0/13:0) [M+H]+ ISTDME2465691.011.010.991.001.020.990.951.030.92
1_CE (22:1) [2M+NH4]+ ISTDME2465511.010.991.001.011.010.990.941.030.94
1_Cer (d18:1/17:0) [M+Na]+ ISTDME2465561.011.000.991.001.010.990.961.030.95
1_DG (12:0/12:0/0:0) [M+NH4]+ ISTDME2465591.011.001.010.991.040.970.941.030.92
1_DG (18:1/2:0/0:0) [M+Na]+ ISTDME2465631.011.001.041.001.010.990.941.010.90
1_MG (17:0/0:0/0:0) [M+H]+ ISTDME2465671.011.001.021.001.010.990.941.030.91
SM (d36:3) [M+H]+ME2468821.001.071.060.970.980.971.011.070.82
LPC (16:0) [M+H]+ME2467531.001.050.941.011.080.951.101.070.80
LPC (18:0) [M+H]+ME2467551.031.030.971.021.050.951.041.050.81
TG (56:8) A [M+K]+ME2471520.681.001.020.861.071.370.571.011.02
PC (36:4) A [M+H]+ME2467940.891.001.050.981.061.120.580.990.86
PC (36:5) A [M+H]+ME2467970.790.941.100.971.091.220.560.930.92
Cer (d42:2) B [M+H]+ME2466870.991.051.040.921.000.960.461.071.09
Cer (d42:2) B [M+Na]+ME2466891.001.071.050.910.990.980.571.031.07
PC (32:2) [M+H]+ME2467740.941.011.080.941.011.050.531.011.00
PC (40:7) A [M+H]+ME2468241.021.041.010.941.021.050.590.961.02
HexCer (d42:1) [M+Na]+ME2467470.951.050.930.991.091.020.430.981.06
PC (31:1) [M+H]+ME2467711.000.990.951.001.060.950.491.160.97
PC (33:0) [M+H]+ME2467751.001.020.980.991.010.970.421.111.04
SM (d43:1) [M+H]+ME2468960.991.021.021.001.041.000.401.120.79
SM (d43:2) [M+H]+ME2468970.961.021.010.991.071.000.401.160.77
PC (o-34:0) [M+H]+ME2468290.950.991.040.981.061.040.531.110.80
SM (d41:2) A [M+H]+ME2468910.961.021.020.971.061.000.501.150.82
PC (38:6) B [M+H]+ME2468150.930.990.991.001.111.010.531.140.82
PC (p-40:5) or PC (o-40:6) [M+H]+ME2468480.971.001.001.001.091.000.511.130.79
PC (p-40:6) or PC (o-40:7) A [M+H]+ME2468490.951.011.001.021.071.000.521.150.77
PE (p-34:1) or PE (o-34:2) [M+H]+ME2468620.901.001.020.981.041.090.491.130.83
PC (42:10) [M+H]+ME2468270.920.981.000.991.111.050.471.090.85
SM (d32:0) [M+H]+ME2468720.951.011.001.001.051.030.481.100.86
PE (p-36:2) or PE (o-36:3) [M+H]+ME2468640.961.081.020.990.951.010.431.160.88
Cer (d40:1) [M+H]+ME2466750.951.091.080.920.990.960.481.110.99
Cer (d40:1) [M+Na]+ME2466770.971.091.080.930.990.950.491.080.98
Cer (d41:1) [M+H]+ME2466780.931.051.060.911.030.980.461.150.96
Cer (d41:1) [M+Na]+ME2466800.951.071.050.901.030.990.451.120.97
PC (35:3) [M+H]+ME2467880.911.011.070.971.001.030.481.110.95
PC (36:6) [M+H]+ME2468010.921.001.080.961.041.020.441.100.92
SM (d30:1) [M+H]+ME2468710.941.011.020.971.051.050.401.090.91
PE (p-36:1) or PE (o-36:2) [M+H]+ME2468630.931.051.080.941.041.010.431.120.87
PC (33:2) [M+H]+ME2467770.951.041.070.961.041.020.371.070.85
PC (35:4) [M+H]+ME2467890.981.051.070.951.041.010.421.050.88
PC (35:2) B [M+H]+ME2467870.911.051.090.911.051.040.481.080.87
PC (37:2) [M+H]+ME2468020.911.061.070.921.051.040.531.090.85
PC (40:7) B [M+H]+ME2468250.971.041.050.981.051.000.511.070.80
PC (p-40:3) or PC (o-40:4) [M+H]+ME2468460.991.021.050.981.040.990.541.070.85
SM (d33:1) [M+H]+ME2468750.991.051.050.961.020.990.521.100.83
PC (35:1) [M+H]+ME2467850.971.051.060.941.030.990.481.100.87
PC (33:1) [M+H]+ME2467760.981.041.040.971.030.980.481.100.89
SM (d39:1) [M+H]+ME2468850.991.031.050.961.030.990.471.090.88
SM (d32:1) [M+H]+ME2468730.971.031.060.961.021.010.511.080.90
SM (d38:1) [M+H]+ME2468830.991.031.050.951.020.990.551.090.91
CE (14:0) [2M+Na]+ME2465921.060.991.031.070.950.930.311.110.93
CE (14:0) [2M+NH4]+ME2465910.981.020.981.041.010.940.261.190.93
CE (18:0) [2M+Na]+ME2466101.011.121.040.911.030.890.381.180.91
CE (18:0) [2M+NH4]+ME2466090.991.111.050.881.060.910.321.180.89
PC (35:2) A [M+H]+ME2467860.961.071.100.931.011.040.311.090.81
PC (37:4) [M+H]+ME2468030.991.071.090.921.051.010.231.050.82
PC (31:0) [M+H]+ME2467701.031.011.000.991.040.980.371.080.91
PC (37:6) [M+H]+ME2468050.961.021.030.971.080.980.311.140.83
SM (d40:2) A [M+H]+ME2468880.961.011.010.961.051.040.261.140.89
Acylcarnitine (C18:0) [M+H]+ME2465841.051.020.931.071.020.920.751.100.86
LPC (20:3) [M+H]+ME2467591.091.030.891.101.020.930.811.030.85
CE (22:6) [M+Na]+ME2466611.110.970.981.090.990.970.701.040.79
CE (18:1) [2M+NH4]+ME2466151.071.031.031.020.970.960.671.070.81
CE (20:4) [2M+NH4]+ME2466451.081.051.071.030.990.880.711.070.76
CE (16:0) [M+Chol-head -H2O+H]+ME2465961.100.880.891.040.981.040.661.180.90
CE (14:0) [M+Na]+ME2465891.060.970.951.100.961.000.561.070.89
CE (18:1) [M+Chol-head -H2O+H]+ME2466141.070.970.961.100.971.010.611.040.84
PC (38:4) A [M+H]+ME2468090.941.051.040.861.001.060.721.150.94
PC (36:3) B [M+H]+ME2467930.971.061.060.900.961.000.761.130.99
PC (38:6) C [M+H]+ME2468160.961.061.070.900.971.000.721.130.97
HexCer (d40:1) [M+H]+ME2467420.941.011.010.981.021.000.611.130.96
HexCer (d42:1) [M+H]+ME2467450.950.971.010.991.031.010.651.111.00
HexCer (d40:1) [M+Na]+ME2467440.941.061.030.971.010.960.631.091.00
Cer (d42:1) [M+H]+ME2466810.971.061.060.930.990.970.641.100.99
Cer (d42:1) [M+Na]+ME2466830.991.051.070.950.990.970.631.050.97
Cer (d42:1) [M+H-H2O]+ME2466820.941.051.070.921.000.970.601.111.04
PC (34:4) [M+H]+ME2467840.961.031.070.931.001.010.601.051.03
PC (38:3) [M+H]+ME2468080.941.021.040.921.021.010.691.081.04
PC (p-42:5) or PC (o-42:6) A [M+H]+ME2468530.981.041.030.961.010.990.711.040.97
PC (34:3) A [M+H]+ME2467810.851.021.100.871.081.070.731.140.85
PC (36:5) C [M+H]+ME2467990.931.041.060.881.061.020.761.120.88
PC (36:2) [M+H]+ME2467910.900.961.090.931.061.070.651.120.86
PC (36:3) A [M+H]+ME2467920.891.041.110.941.051.070.651.060.79
LPE (18:0) [M+H]+ME2467630.911.000.951.001.121.000.761.120.89
CE (18:3) [M+NH4]+ME2466240.910.950.950.961.041.100.721.200.93
PC (38:5) B [M+H]+ME2468130.910.991.001.011.031.040.691.150.87
PC (40:6) B [M+H]+ME2468230.910.970.981.001.091.010.611.160.91
CE (20:4) [Chol-head -H2O+H]+ME2466471.011.031.050.971.010.940.751.120.86
CE (20:4) [M+NH4]+ME2466421.011.031.050.971.000.950.771.120.86
CE (16:0) [2M+NH4]+ME2465971.010.991.011.000.980.960.761.150.91
CE (20:3) [M+NH4]+ME2466361.031.021.030.980.980.950.751.090.94
Hex2Cer (d34:1) [M+H]+ME2467390.981.041.050.971.030.980.731.110.78
PC (p-36:4) or PC (o-36:5) [M+H]+ME2468370.941.051.050.971.060.960.661.140.78
PC (p-38:4) or PC (o-38:5) B [M+H]+ME2468420.981.051.050.951.040.960.651.140.81
PC (p-38:5) or PC (o-38:6) B [M+H]+ME2468440.971.031.030.971.060.980.791.090.80
SM (d34:0) [M+H]+ME2468760.951.021.001.001.041.010.801.120.82
SM (d42:2) [M+H]+ME2468940.951.001.010.971.071.000.751.150.82
SM (d34:2) [M+H]+ME2468780.971.021.050.961.040.980.771.090.86
SM (d42:1) [M+H]+ME2468930.961.011.030.971.041.000.781.100.88
PC (34:1) [M+H]+ME2467790.951.001.030.981.041.010.751.120.85
SM (d34:1) [M+H]+ME2468770.971.021.040.961.031.000.751.120.83
PC (34:2) [M+H]+ME2467800.911.021.050.941.051.060.721.100.84
PC (36:1) [M+H]+ME2467900.941.011.060.941.041.030.681.100.88
PC (38:4) C [M+H]+ME2468110.941.021.040.951.031.000.731.110.91
PC (32:0) [M+H]+ME2467720.950.991.040.961.031.030.731.120.88
PC (36:4) C [M+H]+ME2467960.941.021.030.951.041.020.731.100.87
SM (d36:2) [M+H]+ME2468810.981.041.020.991.030.980.731.070.87
SM (d40:2) B [M+H]+ME2468890.991.021.040.961.040.980.731.070.90
PC (38:5) A [M+H]+ME2468120.961.031.040.971.041.010.681.070.85
PC (p-38:4) or PC (o-38:5) A [M+H]+ME2468410.981.031.040.981.050.980.711.080.82
PC (o-32:0) [M+H]+ME2468280.941.001.010.991.071.010.701.100.86
SM (d42:3) [M+H]+ME2468950.951.011.010.971.081.010.721.120.85
SM (d36:1) [M+H]+ME2468800.971.011.010.971.050.980.701.130.87
SM (d40:1) [M+H]+ME2468870.981.021.040.971.030.990.711.100.86
LPC (15:0) [M+H]+ME2467521.021.070.981.001.080.940.641.020.84
CE (14:0) [M+NH4]+ME2465881.010.970.991.010.991.000.591.160.89
PC (38:1) [M+H]+ME2468061.001.071.080.931.001.010.611.040.86
PC (p-42:5) or PC (o-42:6) B [M+H]+ME2468540.981.051.060.911.070.970.661.080.88
PC (30:0) [M+H]+ME2467691.000.991.020.991.001.010.591.050.96
PC (38:6) A [M+H]+ME2468140.991.031.030.991.030.990.631.040.90
PC (p-44:4) or PC (o-44:5) [M+H]+ME2468550.991.041.040.971.020.990.601.040.92
PC (p-42:4) or PC (o-42:5) [M+H]+ME2468521.001.041.050.971.030.980.621.050.86
PC (p-38:3) or PC (o-38:4) B [M+H]+ME2468401.001.041.040.971.030.980.621.090.82
PC (p-40:4) or PC (o-40:5) [M+H]+ME2468471.001.031.030.981.030.990.641.080.83
PC (34:0) [M+H]+ME2467780.990.981.030.981.031.030.611.090.86
SM (d32:2) [M+H]+ME2468740.960.991.000.981.051.040.601.090.88
PC (40:8) [M+H]+ME2468260.951.011.030.961.071.040.581.080.83
SM (d41:1) [M+H]+ME2468900.971.021.030.971.050.990.611.120.84
SM (d41:2) B [M+H]+ME2468920.961.021.030.971.061.000.571.100.85
CE (18:0) [M+Na]+ME2466070.991.081.040.970.960.960.641.120.93
CE (18:0) [M+NH4]+ME2466061.011.061.020.941.020.940.571.170.89
PC (39:4) [M+H]+ME2468180.941.051.050.921.040.980.591.140.91
SM (d38:2) [M+H]+ME2468840.900.911.071.011.081.020.661.160.79
LPC (18:2) [M+H]+ME2467570.931.080.970.991.141.040.671.030.71
PC (p-34:2) or PC (o-34:3) [M+H]+ME2468330.901.001.020.991.111.050.621.110.77
PC (p-36:1) or PC (o-36:2) B [M+H]+ME2468350.941.011.021.011.091.040.581.080.74
PC (p-36:2) or PC (o-36:3) [M+H]+ME2468360.941.020.961.011.091.050.661.080.79
PC (p-42:2) or PC (o-42:3) [M+H]+ME2468510.940.991.001.041.051.040.631.060.85
PC (36:5) D [M+H]+ME2468000.860.940.941.051.131.050.571.200.82
PE (p-36:4) or PE (o-36:5) [M+H]+ME2468650.930.961.040.931.101.030.511.270.69
PE (p-38:4) or PE (o-38:5) [M+H]+ME2468660.961.011.090.901.061.040.531.180.72
PC (38:7) [M+H]+ME2468170.881.011.010.961.141.000.501.200.79
PC (p-38:5) or PC (o-38:6) A [M+H]+ME2468430.940.980.981.031.101.000.551.200.72
PE (p-38:5) or PE (o-38:6) [M+H]+ME2468670.920.981.030.961.101.030.611.190.71
Cer (d42:2) A [M+H-H2O]+ME2466850.851.010.910.891.071.140.381.241.00
Cer (d42:2) A [M+H]+ME2466840.890.980.970.921.061.110.491.210.91
Cer (d42:2) A [M+Na]+ME2466860.911.000.950.931.061.100.531.160.92
CE (22:6) [M+NH4]+ME2466600.911.031.000.911.100.970.521.250.92
TG (56:5) C [M+K]+ME2471280.831.061.020.881.051.030.571.260.97
TG (56:5) C [M+Na]+ME2471270.851.071.080.881.040.980.611.240.95
PE (36:4) [M+H]+ME2468590.801.060.940.881.220.990.601.270.89
PE (38:4) [M+H]+ME2468600.831.041.020.821.191.040.441.250.85
TG (56:7) B [M+NH4]+ME2471140.811.030.990.861.100.990.451.291.13
TG (53:3) [M+NH4]+ME2470480.831.111.010.831.110.970.361.191.13
TG (53:4) [M+NH4]+ME2470450.781.101.020.781.121.070.381.171.13
TG (55:3) [M+NH4]+ME2471020.781.211.010.781.090.960.371.331.04
TG (56:5) C [M+NH4]+ME2471260.791.121.090.811.090.950.521.291.01
TG (58:8) [M+NH4]+ME2471650.741.131.060.831.110.950.461.370.95
CE (20:5) [2M+Na]+ME2466521.020.910.911.371.100.960.201.090.40
CE (20:5) [2M+NH4]+ME2466510.870.910.941.211.200.980.201.320.38
PE (p-40:4) or PE (o-40:5) A [M+H]+ME2468680.850.831.140.901.131.200.091.190.75
PE (p-40:4) or PE (o-40:5) B [M+H]+ME2468690.900.901.130.901.091.120.301.130.83
CE (20:5) [Chol-head -H2O+H]+ME2466530.740.880.940.891.261.050.291.490.84
CE (22:6) [2M+Na]+ME2466640.940.890.851.171.211.030.261.070.78
CE (22:6) [2M+NH4]+ME2466630.920.850.821.101.350.980.271.100.86
PE (38:6) [M+H]+ME2468610.861.010.801.071.240.950.441.260.79
PC (p-36:5) or PC (o-36:6) [M+H]+ME2468380.900.940.921.081.161.040.431.280.60
CE (20:5) [M+NH4]+ME2466480.830.950.950.971.141.050.471.370.76
PC (p-40:6) or PC (o-40:7) B [M+H]+ME2468500.930.981.010.951.090.980.351.310.76
PC (37:5) [M+H]+ME2468040.920.920.981.071.081.040.431.210.72
PE (p-40:5) or PE (o-40:6) [M+H]+ME2468700.920.941.030.941.111.090.381.220.69
Cer (d38:1) [M+H-H2O]+ME2466730.920.901.001.030.960.770.201.281.64
TG (51:1) [M+K]+ME2470140.840.970.880.910.990.870.391.351.72
TG (55:2) [M+NH4]+ME2471050.631.230.810.681.291.010.291.381.28
TG (55:2) [M+Na]+ME2471060.671.190.870.661.120.970.361.431.58
TG (53:1) [M+Na]+ME2470550.721.190.880.801.180.860.481.291.44
TG (53:1) [M+NH4]+ME2470540.831.180.770.821.180.880.471.321.31
PE (34:2) [M+H]+ME2468560.531.251.000.631.251.120.341.391.02
PE (36:1) [M+H]+ME2468570.531.221.170.581.251.110.371.310.95
LPE (18:2) [M+H]+ME2467640.601.251.100.651.281.170.631.110.81
TG (54:3) [M+K]+ME2470710.651.201.040.671.291.120.481.091.02
DG (36:3) [M+K]+ME2467200.711.181.170.701.071.060.481.081.23
TG (50:3) A [M+NH4]+ME2470000.701.181.150.631.071.040.391.191.32
DG (38:5) [M+Na]+ME2467100.741.201.280.720.891.130.601.041.14
DG (38:5) [M+NH4]+ME2467090.721.171.290.720.921.110.581.091.13
DG (36:3) [M+Na]+ME2467190.761.161.190.761.041.030.641.091.09
DG (36:3) [M+NH4]+ME2467180.741.161.210.751.041.030.551.121.08
TG (50:4) [M+NH4]+ME2469970.581.181.150.511.191.220.231.151.29
TG (50:4) [M+K]+ME2469990.591.141.130.541.191.190.341.151.37
TG (50:4) [M+Na]+ME2469980.601.141.120.571.161.170.331.231.28
TG (49:3) [M+NH4]+ME2469760.791.090.990.691.141.060.261.181.38
TG (51:4) [M+NH4]+ME2470180.791.071.010.731.121.150.291.091.24
TG (58:10) [M+NH4]+ME2471890.600.970.940.721.261.270.651.251.12
TG (56:5) B [M+Na]+ME2471240.730.920.900.711.231.190.511.261.33
TG (56:8) B [M+NH4]+ME2471530.700.990.960.761.201.140.401.271.18
TG (58:9) [M+NH4]+ME2471620.631.010.990.711.241.190.461.321.06
TG (54:6) C [M+NH4]+ME2470960.670.991.030.641.171.310.471.131.31
TG (56:8) A [M+Na]+ME2471510.651.011.020.761.141.290.531.141.12
TG (52:4) [M+NH4]+ME2470420.641.101.090.651.181.160.391.181.24
TG (56:7) A [M+NH4]+ME2471110.661.081.090.701.141.190.431.141.18
TG (56:8) A [M+NH4]+ME2471500.601.081.060.671.161.320.401.121.12
DG (36:4) A [M+Na]+ME2467040.621.061.120.641.141.280.521.091.22
DG (36:4) A [M+NH4]+ME2467030.631.071.120.641.161.270.531.091.16
PC (28:0) [M+H]+ME2467680.691.021.250.711.041.240.531.091.04
DG (38:6) [M+Na]+ME2466980.611.051.230.591.001.460.450.981.22
DG (38:6) [M+NH4]+ME2466970.651.061.180.671.011.360.521.051.16
TG (54:3) [M+NH4]+ME2470690.631.501.320.611.040.850.551.270.89
TG (54:4) [M+NH4]+ME2470660.491.571.380.511.050.900.371.360.92
TG (54:1) [M+K]+ME2470770.461.431.060.481.210.930.571.461.33
TG (54:6) A [M+Na]+ME2471000.431.341.150.481.230.940.501.511.28
TG (52:1) [M+NH4]+ME2470300.541.251.040.571.190.990.631.391.35
TG (54:1) [M+Na]+ME2470760.511.351.060.511.250.960.641.411.22
TG (58:4) [M+K]+ME2471760.481.170.970.491.401.060.471.401.38
TG (54:1) [M+NH4]+ME2470750.441.300.990.431.381.050.541.431.26
TG (54:6) A [M+K]+ME2471010.421.271.120.461.261.090.581.431.26
TG (54:5) A [M+NH4]+ME2470600.361.431.260.391.261.050.301.411.08
TG (57:2) [M+NH4]+ME2471560.341.541.200.341.281.020.271.361.24
TG (55:1) [M+NH4]+ME2471080.541.431.150.511.180.900.371.301.36
TG (48:2) [M+NH4]+ME2469640.491.431.320.411.081.030.281.321.22
TG (57:1) [M+Na]+ME2471600.471.511.370.411.100.890.401.331.24
TG (57:1) [M+NH4]+ME2471590.451.501.350.431.120.930.451.361.13
TG (54:5) A [M+K]+ME2470620.471.351.280.551.181.000.641.281.04
TG (54:5) A [M+Na]+ME2470610.471.351.250.501.191.040.501.341.05
TG (54:2) [M+NH4]+ME2470720.501.421.180.521.190.930.481.421.10
TG (48:2) [M+K]+ME2469660.531.391.250.531.080.950.521.371.15
TG (48:2) [M+Na]+ME2469650.571.391.250.521.060.960.481.341.19
DG (34:1) [M+K]+ME2467260.531.261.120.690.990.971.041.311.48
TG (48:1) [M+K]+ME2469690.621.221.070.591.080.980.671.241.65
TG (48:1) [M+NH4]+ME2469670.661.201.140.611.040.990.601.281.42
TG (48:1) [M+Na]+ME2469680.671.191.110.641.060.960.741.251.46
TG (50:1) [M+NH4]+ME2469850.691.181.080.681.060.960.761.301.35
TG (46:0) [M+Na]+ME2469470.651.151.030.571.161.060.841.311.37
TG (46:0) [M+NH4]+ME2469460.531.201.050.471.201.110.721.411.37
TG (48:0) [M+NH4]+ME2469700.561.151.070.541.141.130.801.371.36
DG (34:2) [M+K]+ME2467170.511.171.130.551.211.110.831.141.52
TG (46:0) [M+K]+ME2469480.681.141.010.611.161.070.771.181.48
DG (34:3) [M+Na]+ME2467010.871.061.030.821.050.951.061.031.43
TG (54:0) [M+Na]+ME2470790.851.161.060.891.070.920.911.071.05
TG (58:0) [M+Na]+ME2471870.821.101.090.901.040.860.931.121.25
DG (34:2) [M+Na]+ME2467160.651.151.120.651.131.080.941.171.22
DG (34:2) [M+NH4]+ME2467150.601.151.120.651.141.100.951.201.21
DG (32:1) [M+Na]+ME2467130.731.181.170.710.970.971.061.141.39
DG (32:1) [M+NH4]+ME2467120.741.171.140.700.980.980.991.191.34
DG (36:1) [M+Na]+ME2467340.681.181.080.701.110.980.871.221.25
DG (36:1) [M+NH4]+ME2467330.691.171.080.731.090.970.841.271.21
TG (50:2) [M+Na]+ME2470070.811.131.020.771.060.960.941.171.29
TG (52:1) [M+K]+ME2470320.781.170.980.791.070.910.971.271.24
TG (52:1) [M+Na]+ME2470310.721.181.010.751.100.920.901.301.25
TG (50:1) [M+Na]+ME2469860.821.080.990.821.060.971.101.201.23
TG (54:0) [M+K]+ME2470800.871.130.910.791.020.920.961.311.32
DG (34:1) [M+Na]+ME2467250.731.191.180.741.000.951.291.201.13
DG (34:1) [M+NH4]+ME2467240.741.191.180.751.000.931.231.211.13
DG (32:0) [M+K]+ME2467230.801.140.860.811.000.931.321.371.37
TG (50:1) [M+K]+ME2469870.871.020.970.861.051.001.321.151.20
TG (54:5) B [M+NH4]+ME2470630.861.201.240.840.670.770.671.371.50
TG (54:6) C [M+Na]+ME2470971.001.071.111.020.620.960.961.071.41
CE (16:1) [2M+Na]+ME2466040.821.071.321.400.490.950.791.190.70
Acylcarnitine (C14:2) [M+H]+ME2465831.160.691.031.220.831.340.500.820.77
Acylcarnitine (C12:0) [M+H]+ME2465801.240.811.061.260.811.040.670.750.98
Acylcarnitine (C10:0) [M+H]+ME2465781.470.801.031.430.740.950.580.660.76
Acylcarnitine (C12:1) [M+H]+ME2465811.430.740.971.490.780.950.700.620.87

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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