Clustering data with hclust algorithm for Michigan Biomarkers for Refractory Depression (Bluebird) metabolomics pilot study (Study ST000775)

C18 NEGATIVE ION MODE (Analysis AN001224)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33
PC 26:0; [M-Ac-H]-@4.59ME2138590.360.790.880.121.630.330.040.570.071.770.280.320.041.950.170.100.690.490.090.211.019.550.182.930.240.360.563.350.541.011.280.09NA
PC 28:1; [M-Ac-H]-@4.81ME2138610.560.770.980.030.990.350.160.590.561.490.400.510.580.660.150.161.880.451.290.150.228.840.444.420.400.382.191.070.300.780.160.10NA
PC 28:0; [M-Ac-H]-@5.36ME2138600.911.251.380.211.410.820.320.590.332.480.770.290.061.110.210.111.290.171.070.290.224.970.663.450.610.241.961.580.671.000.800.79NA
lysoPE 16:1; [M-H]-@1.33ME2139900.681.711.180.800.800.230.190.410.481.720.780.600.340.800.500.881.380.251.560.440.564.160.353.791.240.391.621.440.381.320.240.78NA
PC 30:1; [M-Ac-H]-@5.52ME2138631.272.371.400.530.920.490.460.420.492.640.460.480.150.540.170.451.440.281.750.200.213.880.524.410.990.421.122.230.160.620.250.29NA
PE 32:0; [M-H]-@6.81ME2139293.291.821.190.480.480.700.500.421.060.841.500.920.390.181.070.260.480.221.540.540.682.630.261.160.741.102.341.162.310.520.630.59NA
PG 38:4; [M-H]-@6.13ME2139731.650.590.850.530.870.360.350.200.552.650.770.923.131.351.473.631.270.522.261.230.930.370.990.370.030.190.640.321.340.630.560.47NA
CL 78:3; [M-2H](2-)@7.57ME2138451.190.681.670.680.360.790.661.170.521.080.480.610.582.190.974.261.680.291.810.340.990.981.091.320.740.930.611.060.900.540.480.35NA
PS 38:4; [M-H]-@6.06ME2139870.880.930.630.501.140.700.231.150.391.620.851.051.092.070.672.961.050.212.090.961.470.220.730.850.581.151.151.390.260.741.001.28NA
PS 38:5; [M-H]-@5.53ME2139880.530.430.390.891.341.180.640.840.501.430.861.241.272.400.652.900.660.471.780.732.090.690.521.040.640.851.141.310.261.020.330.97NA
PC 44:12; [M-Ac-H]-@5.69ME2139271.241.210.500.520.680.051.050.832.100.180.480.151.342.561.520.730.550.511.050.270.431.261.780.201.691.480.862.851.630.710.591.01NA
PG 34:2; [M-H]-@5.52ME2139680.910.302.960.680.750.120.810.560.562.640.231.811.080.541.050.292.170.581.190.300.541.750.890.381.000.670.353.360.392.040.470.60NA
CL 66:1; [M-2H](2-)@6.32ME2138261.861.741.800.510.110.070.330.570.153.220.780.940.200.430.280.363.130.813.700.150.062.470.222.111.390.130.322.440.021.260.160.28NA
PE 32:1; [M-H]-@6.32ME2139301.561.611.790.660.020.090.310.280.152.460.551.000.110.630.180.383.010.334.030.180.102.810.222.801.280.460.572.480.530.800.240.36NA
CL 70:5; [M-2H](2-)@6.06ME2138290.722.001.520.760.190.630.160.250.263.140.530.780.540.880.280.562.350.792.420.330.082.260.261.400.960.600.294.120.651.000.710.58NA
PE 34:3; [M-H]-@6.11ME2139350.731.942.440.620.320.410.310.350.342.410.821.280.500.840.420.531.920.702.000.460.322.370.391.060.880.530.703.320.390.940.780.98NA
PI 34:1; [M-H]-@5.75ME2139741.260.550.950.260.650.800.700.721.071.670.420.780.341.210.500.741.960.824.020.310.281.650.231.171.590.860.573.220.580.970.450.68NA
CL 70:1; [M-2H](2-)@6.53ME2138280.931.091.950.640.300.580.210.710.611.980.580.880.311.400.371.202.560.352.850.200.211.640.321.371.141.140.762.620.491.760.290.56NA
PE 34:1; [M-H]-@6.92ME2139331.201.232.160.480.360.600.260.540.711.580.670.990.301.450.281.112.150.342.900.300.281.650.371.321.251.070.902.440.491.530.340.74NA
PI 34:2; [M-H]-@5.33ME2139751.461.081.500.520.520.430.420.540.532.031.001.050.491.460.341.311.930.602.470.560.741.010.650.711.720.740.762.930.440.760.590.70NA
PI 36:4; [M-H]-@5.31ME2139791.251.771.310.460.710.770.560.360.621.990.771.010.441.020.711.261.510.542.340.520.341.170.621.071.550.301.292.860.321.370.460.71NA
PE 36:6; [M-H]-@5.66ME2139481.080.610.710.480.920.520.910.250.213.241.250.770.610.471.380.721.300.180.660.791.422.760.860.721.240.072.311.820.321.001.410.98NA
PA 40:4; [M-H]-@6.87ME2138560.320.320.310.610.270.500.120.841.052.040.670.460.350.481.722.451.981.561.480.461.080.510.281.950.291.881.172.250.192.081.820.53NA
PA 36:1; [M-H]-@6.81ME2138541.291.090.720.281.310.680.241.380.222.290.890.950.080.791.400.281.181.150.930.370.700.820.762.510.211.531.563.600.820.230.271.49NA
CL 74:3; [M-2H](2-)@5.64ME2138340.880.841.640.720.370.710.270.700.743.441.090.800.320.520.460.750.931.181.081.491.020.801.570.961.001.650.212.181.290.330.571.50NA
CL 76:12; [M-2H](2-)@6.67ME2138380.830.521.080.120.500.400.490.050.352.201.541.790.240.360.681.342.192.400.300.971.190.880.610.641.192.900.341.771.331.560.470.75NA
PG 33:0; [M-H]-@6.13ME2139660.310.632.120.790.880.791.020.570.671.613.400.720.920.640.830.951.780.521.301.070.671.720.340.951.290.870.640.880.701.160.670.58NA
PC 40:2; [M-Ac-H]-@8.20ME2139140.510.520.610.861.331.820.511.191.151.001.820.211.100.230.770.450.801.311.571.030.380.651.451.421.220.802.060.700.920.741.181.69NA
PC 34:2; [M-Ac-H]-@4.49ME2138770.651.500.890.290.470.960.870.470.851.551.270.562.480.510.580.571.271.022.550.610.880.891.481.480.481.161.170.800.960.501.770.53NA
PC 36:4; [M-Ac-H]-@7.52ME2138921.280.960.971.110.771.430.250.470.530.071.550.801.690.331.610.521.131.251.871.080.991.440.642.020.371.811.130.460.311.540.880.75NA
CL 82:9; [M-2H](2-)@6.39ME2138500.370.960.270.320.801.640.180.551.021.881.140.170.292.760.681.231.470.790.910.371.412.170.251.611.790.231.471.571.121.310.640.61NA
PG 35:3; [M-H]-@6.36ME2139690.810.231.271.011.080.450.741.160.222.110.941.490.430.320.391.060.580.542.211.500.621.271.462.510.812.011.411.100.190.680.850.54NA
PC 44:3; [M-Ac-H]-@8.67ME2139281.460.530.680.560.850.761.490.900.620.590.870.980.780.550.720.551.960.941.700.660.911.601.330.551.251.073.070.890.990.880.640.69NA
PC 31:1; [M-Ac-H]-@5.86ME2138661.290.922.250.510.720.220.540.430.501.580.701.480.671.070.640.951.330.441.740.910.721.920.202.680.770.421.411.900.600.720.800.96NA
PC 32:1; [M-Ac-H]-@6.18ME2138691.041.121.020.400.520.220.490.350.432.290.770.950.281.380.380.992.110.372.480.260.242.720.303.291.440.511.102.600.530.780.330.31NA
lysoPE 22:4; [M-H]-@1.96ME2139971.271.921.650.660.530.740.541.680.861.680.470.680.411.040.620.750.871.051.220.300.711.640.653.320.620.620.771.440.501.180.291.29NA
lysoPE 18:1; [M-H]-@1.93ME2139920.581.201.001.060.831.000.300.701.081.260.830.630.430.750.610.601.050.341.030.500.473.281.113.281.410.540.581.330.831.810.431.18NA
lysoPE 18:2; [M-H]-@1.45ME2139930.771.500.970.840.861.460.360.830.831.270.790.610.321.110.730.751.100.720.740.590.592.720.713.110.900.540.661.741.141.160.710.85NA
lysoPE 16:0; [M-H]-@1.76ME2139891.011.250.760.630.760.880.490.780.791.051.190.630.590.870.590.661.240.621.010.710.662.850.622.361.750.680.861.700.861.540.640.95NA
lysoPE 20:4; [M-H]-@1.42ME2139951.070.810.770.740.700.840.440.750.961.150.760.590.691.200.740.870.990.750.730.630.752.390.722.991.080.980.971.610.901.490.611.32NA
lysoPE 20:5; [M-H]-@1.13ME2139961.061.450.980.640.940.560.490.350.501.430.940.420.810.680.720.650.480.490.750.700.743.330.521.881.540.531.402.770.901.021.031.31NA
PE 36:5; [M-H]-@6.10ME2139470.711.391.360.620.470.350.410.530.392.130.860.740.590.510.440.621.110.441.850.460.273.650.281.561.630.551.113.030.701.141.380.74NA
PC 32:3; [M-Ac-H]-@5.26ME2138710.361.051.650.691.750.570.370.720.282.030.670.710.651.140.280.641.351.192.350.540.332.580.831.221.101.221.312.070.250.811.010.31NA
PC 30:0; [M-Ac-H]-@6.06ME2138621.031.111.220.390.730.460.521.250.691.770.500.680.551.340.370.591.320.582.480.440.502.730.442.021.480.901.021.930.591.180.500.73NA
PC 33:1; [M-Ac-H]-@6.64ME2138730.930.930.650.580.780.720.790.650.641.560.590.790.571.270.700.831.500.891.290.530.692.860.551.501.441.101.031.400.872.000.770.60NA
PE 33:1; [M-H]-@6.63ME2139311.410.620.800.260.370.270.280.510.921.831.261.060.371.050.420.931.951.082.610.761.431.440.240.772.240.481.050.990.461.670.891.56NA
PE 33:2; [M-H]-@6.16ME2139320.580.571.020.680.390.460.210.240.341.841.011.700.701.370.451.051.900.391.751.390.882.560.281.152.230.830.281.551.060.851.360.93NA
PC 19:2; [M-Ac-H]-@1.43ME2138580.830.600.320.520.361.660.790.901.891.871.180.950.880.820.510.500.420.831.150.821.541.241.351.631.600.220.541.930.581.510.961.10NA
PI 38:6; [M-H]-@5.19ME2139830.270.470.610.221.091.571.450.691.191.351.000.630.770.651.300.430.531.322.020.581.251.730.550.492.410.440.963.120.291.060.441.11NA
PC 35:0; [M-Ac-H]-@7.12ME2138821.332.190.820.011.070.441.600.640.111.180.230.981.140.161.081.400.571.860.660.720.881.361.320.810.440.851.593.580.661.150.470.69NA
PC 36:0; [M-Ac-H]-@7.88ME2138881.151.490.860.380.910.690.660.720.950.130.690.780.550.510.621.360.800.861.181.190.721.460.771.541.450.941.503.401.191.150.510.89NA
PE 38:2; [M-H]-@7.59ME2139521.490.882.200.370.520.890.771.051.420.431.161.860.580.760.392.221.770.491.230.781.500.760.491.460.540.960.921.720.680.530.550.62NA
PC 40:1; [M-Ac-H]-@8.45ME2139130.650.421.650.580.490.811.950.901.231.461.021.000.400.230.860.220.710.691.351.030.440.601.331.372.111.861.072.960.610.420.650.92NA
PC 42:3; [M-Ac-H]-@8.17ME2139240.610.631.590.391.770.770.841.421.271.541.041.940.490.840.910.640.680.630.851.010.380.520.591.311.610.671.372.110.730.481.540.83NA
CL 86:15; [M-2H](2-)@6.55ME2138510.631.160.830.631.610.670.350.390.501.580.540.390.660.771.061.880.430.901.290.550.780.391.560.821.202.101.092.320.231.592.031.10NA
CL 72:1; [M-2H](2-)@7.76ME2138301.281.461.062.290.290.980.650.620.791.110.310.731.011.030.371.631.240.840.710.180.841.790.540.441.531.280.821.291.101.810.571.40NA
PC 31:1; [M-Ac-H]-@6.55ME2138670.870.940.640.970.790.881.200.790.441.280.810.691.860.911.260.661.052.280.930.751.220.681.010.931.431.021.150.730.751.250.980.82NA
CL 72:7; [M-2H](2-)@6.14ME2138320.380.530.911.080.340.590.531.960.261.721.181.191.750.500.910.861.081.431.570.840.530.791.040.901.330.061.431.871.210.941.730.57NA
PE 35:4; [M-H]-@6.14ME2139390.830.850.871.050.590.460.591.010.202.300.881.201.551.000.280.651.121.111.980.560.420.220.501.372.160.941.291.941.081.520.680.82NA
CL 76:3; [M-2H](2-)@7.14ME2138391.791.420.790.660.331.320.631.310.230.990.911.700.570.700.290.681.611.140.180.610.521.730.630.740.862.100.632.590.852.360.660.47NA
CL 72:3; [M-2H](2-)@6.83ME2138310.792.150.670.760.250.970.070.770.181.681.220.560.731.050.600.792.410.981.410.680.201.160.301.341.361.440.612.560.822.210.580.71NA
PE 35:2; [M-H]-@6.79ME2139380.701.931.540.820.190.930.271.090.821.231.540.570.390.980.350.881.670.901.200.910.400.860.291.181.520.991.172.290.891.870.521.14NA
PE 37:3; [M-H]-@6.97ME2139490.951.001.740.850.310.761.361.041.211.011.381.330.551.530.820.721.240.472.121.050.230.540.471.062.250.691.281.610.431.130.170.71NA
PG 36:2; [M-H]-@6.15ME2139720.891.362.600.870.420.610.210.620.801.491.191.321.280.641.240.841.670.621.630.860.490.740.590.761.210.930.641.040.851.280.851.47NA
lysoPE 22:6; [M-H]-@1.36ME2139990.990.480.510.510.580.810.310.521.011.041.000.720.710.600.820.520.800.660.630.430.712.040.551.771.991.212.031.771.331.961.101.87NA
PG 36:1; [M-H]-@6.50ME2139711.110.990.970.660.940.140.811.010.801.430.410.880.740.030.811.300.901.210.851.360.811.771.241.860.921.521.850.491.450.810.980.96NA
plasmenyl-PE 36:5; [M-H]-@6.37ME2140070.670.690.770.410.611.010.910.560.731.371.030.640.490.590.910.830.531.200.491.060.601.990.872.221.111.491.731.471.761.141.450.65NA
PE 40:7; [M-H]-@6.48ME2139641.160.420.640.580.050.440.220.481.251.171.771.050.570.880.720.951.260.831.590.590.510.630.330.491.692.772.032.031.191.301.211.22NA
PE 40:6; [M-H]-@6.97ME2139631.460.741.580.660.230.520.410.400.701.651.251.060.610.560.620.651.480.511.610.630.310.910.290.531.962.161.282.421.201.580.841.20NA
CL 78:11; [M-2H](2-)@6.17ME2138431.490.501.060.890.200.510.340.500.711.481.740.920.690.290.490.331.520.881.620.520.331.150.250.782.111.851.512.220.881.581.611.08NA
PE 38:6; [M-H]-@6.23ME2139571.630.611.330.740.210.370.370.500.931.191.801.020.620.330.510.331.400.741.470.660.391.290.290.722.071.761.762.050.831.511.401.21NA
PI 40:5; [M-H]-@6.20ME2139841.550.530.650.351.810.491.380.490.362.230.641.071.020.780.931.081.350.820.490.411.111.130.560.911.001.010.721.661.351.531.451.14NA
PC 42:2; [M-Ac-H]-@8.73ME2139230.570.790.800.340.610.840.850.771.152.270.920.490.371.000.520.780.690.962.691.080.821.370.901.501.090.881.021.750.991.030.911.25NA
PE 36:1; [M-H]-@7.50ME2139420.871.041.230.500.500.570.430.660.931.580.901.280.400.661.071.911.290.882.630.510.320.870.471.850.641.330.632.351.041.480.350.80NA
CL 76:6; [M-2H](2-)@6.67ME2138400.880.810.880.740.540.960.560.920.501.480.940.920.401.200.382.211.400.332.280.860.350.690.190.751.271.771.952.320.681.340.770.70NA
PS 36:1; [M-H]-@6.46ME2139861.391.101.090.330.570.470.090.890.631.371.540.710.551.480.592.191.770.442.370.830.940.510.720.790.981.291.601.410.380.900.851.23NA
CL 82:15; [M-2H](2-)@6.04ME2138490.160.340.740.780.440.500.510.610.602.131.330.850.620.570.941.641.251.361.781.110.741.050.500.910.741.531.912.320.780.881.900.46NA
PE 40:8; [M-H]-@6.06ME2139650.400.730.280.370.630.560.361.271.062.110.961.280.871.131.031.501.650.661.560.450.471.110.830.890.560.941.682.031.431.310.871.01NA
PC 35:3; [M-Ac-H]-@6.24ME2138850.961.160.820.760.531.540.610.431.381.591.391.030.541.020.600.591.381.370.970.580.750.590.711.311.240.712.401.920.600.440.861.21NA
PC 39:3; [M-Ac-H]-@7.46ME2139090.460.741.190.171.061.371.011.160.940.790.400.841.090.880.610.701.180.921.440.830.561.070.511.781.251.442.261.840.631.000.851.04NA
PC 40:3; [M-Ac-H]-@7.67ME2139151.681.400.640.561.290.661.270.821.250.660.960.591.220.570.551.121.060.951.710.971.510.890.861.111.210.591.581.650.590.580.451.07NA
PC 37:3; [M-Ac-H]-@6.95ME2138981.051.880.820.460.771.621.490.840.760.711.320.530.780.470.641.052.110.911.450.640.981.220.960.700.910.721.891.010.591.030.820.87NA
PE 36:1; [M-H]-@6.78ME2139411.471.701.590.921.101.390.910.650.501.230.980.400.781.120.730.841.211.030.450.970.901.370.800.501.061.101.621.150.521.080.781.13NA
plasmenyl-PE 42:6; [M-H]-@7.82ME2140210.430.200.300.190.281.480.900.810.900.681.570.410.601.070.711.590.670.741.030.890.611.960.941.291.312.111.592.461.231.370.760.90NA
plasmenyl-PE 34:3; [M-H]-@6.46ME2140020.381.111.280.510.930.881.021.060.391.631.211.120.930.620.501.500.331.410.931.090.961.640.811.461.111.610.942.180.510.890.580.47NA
PA 38:3; [M-H]-@7.02ME2138550.921.020.690.600.921.490.331.260.661.820.630.990.590.570.880.881.511.580.921.190.691.191.071.800.971.391.061.530.570.880.760.63NA
plasmenyl-PE 34:2; [M-H]-@6.79ME2140010.641.450.690.370.841.410.800.990.591.640.930.600.430.460.610.720.681.650.691.650.601.780.971.971.171.731.561.870.780.660.500.58NA
plasmenyl-PE 40:6; [M-H]-@7.21ME2140180.500.350.490.530.790.810.380.421.321.152.170.900.590.820.800.961.561.020.601.390.861.170.751.221.572.151.581.530.711.120.501.27NA
plasmenyl-PE 36:1; [M-H]-@7.80ME2140030.520.980.800.440.780.610.720.550.881.561.160.610.650.700.731.040.790.810.980.710.551.470.691.621.552.950.982.570.631.650.400.92NA
plasmenyl-PE 36:2; [M-H]-@7.38ME2140040.541.100.580.821.020.920.551.070.711.211.430.750.730.590.601.060.911.550.651.130.561.150.931.521.392.211.022.080.681.140.440.94NA
plasmenyl-PE 38:6; [M-H]-@6.64ME2140130.860.260.870.370.760.720.420.490.731.521.260.830.750.750.630.841.211.360.751.131.021.640.862.041.412.071.251.620.891.320.580.80NA
PC 42:5; [M-Ac-H]-@7.55ME2139260.880.920.830.440.450.681.090.821.350.991.040.901.211.440.500.891.870.941.111.220.900.531.130.561.151.661.281.091.691.040.580.83NA
PE 35:0; [M-H]-@7.65ME2139360.741.180.750.440.431.070.880.791.181.061.670.300.542.090.811.001.690.950.680.811.010.531.201.260.761.891.311.650.730.970.900.72NA
PC 39:4; [M-Ac-H]-@7.31ME2139100.900.841.130.770.910.950.460.541.010.760.960.631.671.331.162.130.780.911.210.671.240.691.140.620.642.230.761.810.921.200.490.55NA
plasmenyl-PE 40:3; [M-H]-@8.13ME2140140.730.640.960.400.820.730.880.930.600.830.830.481.131.321.222.551.021.060.960.921.020.971.141.331.191.101.481.820.430.761.160.60NA
plasmenyl-PE 38:1; [M-H]-@8.31ME2140080.790.580.860.641.290.630.420.581.331.341.110.690.531.080.631.531.920.531.240.800.971.110.991.290.841.502.291.590.240.890.501.25NA
plasmenyl-PE 42:4; [M-H]-@8.27ME2140190.960.741.070.661.020.900.500.870.941.111.060.720.481.800.711.650.770.541.250.881.000.730.940.970.741.911.841.410.640.931.161.07NA
plasmenyl-PE 42:5; [M-H]-@7.94ME2140200.490.531.100.720.850.700.470.710.581.031.140.670.581.700.811.571.590.621.440.601.130.911.190.741.151.991.781.930.641.081.050.52NA
PE 39:6; [M-H]-@6.61ME2139600.910.440.810.780.520.810.570.850.931.921.440.810.880.800.840.851.221.280.580.860.481.010.381.011.711.300.861.311.822.260.890.88NA
PI 40:6; [M-H]-@5.87ME2139851.350.510.360.670.780.920.860.320.860.841.171.121.431.450.460.761.020.750.900.280.520.750.831.111.701.720.812.421.511.311.071.43NA
PC 37:2; [M-Ac-H]-@7.32ME2138970.931.021.170.570.882.041.040.351.091.410.850.751.070.920.871.280.821.090.890.790.620.721.160.421.171.131.101.800.761.291.110.90NA
plasmenyl-PE 38:2; [M-H]-@7.95ME2140090.271.360.670.631.011.420.510.790.871.250.790.610.641.170.591.300.760.891.191.550.840.911.041.221.481.451.212.110.830.840.691.11NA
PC 39:6; [M-Ac-H]-@6.61ME2139120.630.500.410.240.751.620.930.871.000.631.160.681.560.891.021.030.481.070.741.101.281.040.780.311.351.981.261.531.141.980.761.26NA
PC 39:5; [M-Ac-H]-@6.71ME2139111.060.470.560.981.251.011.000.721.050.930.751.441.020.590.821.650.500.900.480.951.770.660.930.451.221.041.751.651.021.191.201.00NA
PC 35:2; [M-Ac-H]-@6.69ME2138840.900.710.580.960.911.200.610.890.861.061.110.581.451.270.711.190.921.640.521.010.880.860.700.970.741.781.021.741.171.280.830.94NA
PC 37:4; [M-Ac-H]-@6.72ME2138990.930.560.381.051.100.930.520.971.131.400.670.581.310.960.720.960.741.170.680.831.060.940.560.961.101.552.192.200.611.580.750.89NA
PC 40:6; [M-Ac-H]-@6.78ME2139180.860.430.760.440.720.930.830.551.261.121.330.811.110.641.291.040.990.780.860.660.920.740.830.481.791.101.812.021.431.510.751.21NA
PC 38:6; [M-Ac-H]-@6.12ME2139070.950.430.850.600.880.760.750.390.991.021.411.031.150.620.930.891.030.740.831.061.081.080.680.681.351.812.231.500.931.021.101.26NA
PC 40:7; [M-Ac-H]-@6.31ME2139191.030.570.800.490.890.660.670.601.070.921.510.871.060.570.990.890.770.900.720.911.130.660.910.761.171.562.052.001.191.111.151.41NA
PC 37:5; [M-Ac-H]-@6.15ME2139001.140.660.750.661.360.620.590.530.871.400.790.681.240.581.190.770.961.280.901.130.861.241.111.021.301.541.061.611.001.041.420.69NA
PC 38:1; [M-Ac-H]-@7.90ME2139020.770.550.670.940.851.350.800.750.661.451.140.510.830.770.811.041.131.460.960.740.961.430.620.581.661.321.071.671.511.071.120.82NA
PC 38:7; [M-Ac-H]-@5.63ME2139081.140.860.820.660.620.820.910.520.991.431.420.750.860.551.070.761.031.240.870.720.640.890.610.902.121.511.421.841.420.900.920.81NA
PI 36:1; [M-H]-@6.38ME2139761.230.751.700.631.320.921.470.680.891.041.111.430.620.800.650.251.401.301.360.960.891.480.611.121.000.590.521.470.770.871.141.01NA
PE 39:5; [M-H]-@6.86ME2139591.360.720.590.750.361.050.511.000.931.101.540.950.800.960.830.771.481.030.901.360.901.630.901.560.361.280.721.090.911.580.861.22NA
PC 33:2; [M-Ac-H]-@6.07ME2138741.190.851.240.710.821.100.581.410.901.350.600.640.861.070.550.861.361.170.810.691.781.161.121.190.761.240.651.521.150.830.561.26NA
PE 36:0; [M-H]-@7.93ME2139400.830.850.760.630.720.820.940.810.631.751.030.590.830.910.791.040.791.241.221.180.931.811.011.020.471.631.051.651.230.790.801.25NA
PA 34:0; [M-H]-@7.68ME2138530.710.810.930.880.450.621.440.930.910.901.020.851.041.510.871.201.371.370.690.611.102.000.330.600.501.311.001.770.830.981.451.02NA
PG 33:1; [M-H]-@6.58ME2139670.591.050.780.821.110.810.850.890.751.050.830.781.140.771.111.321.021.320.750.951.232.121.091.441.250.580.811.400.561.021.010.77NA
PE 40:4; [M-H]-@7.49ME2139611.281.091.040.950.600.580.511.281.011.621.170.611.101.500.992.051.400.491.590.320.830.650.510.940.890.750.462.670.541.020.910.64NA
PC 33:0; [M-Ac-H]-@7.07ME2138720.841.170.600.730.811.460.530.610.951.270.760.900.711.211.140.821.170.650.840.850.841.990.590.851.390.971.912.031.021.070.860.46NA
PC 35:5; [M-Ac-H]-@5.60ME2138870.790.780.730.700.990.440.530.551.191.530.870.800.550.780.881.170.920.681.160.370.621.660.590.821.741.301.612.731.631.351.030.51NA
PC 36:6; [M-Ac-H]-@5.52ME2138950.710.690.580.340.890.610.640.400.791.321.090.680.841.110.780.541.301.071.750.440.681.670.511.451.611.111.552.391.211.540.800.90NA
PC 40:8; [M-Ac-H]-@5.88ME2139200.711.021.260.801.070.840.930.631.030.860.800.980.781.400.930.901.410.631.640.600.981.180.570.911.400.881.082.171.560.710.780.58NA
PI 38:3; [M-H]-@6.15ME2139800.840.751.290.760.920.580.940.681.110.851.150.981.011.370.631.141.850.651.610.740.950.700.640.742.050.430.761.431.521.000.950.96NA
PC 42:10; [M-Ac-H]-@5.81ME2139221.070.761.000.611.270.651.000.570.551.440.410.921.261.190.870.510.850.781.331.000.641.270.500.891.480.840.722.261.391.660.951.35NA
PI 36:3; [M-H]-@5.45ME2139780.960.890.930.490.981.230.780.461.101.450.750.690.941.120.680.951.390.721.910.440.690.900.910.711.570.890.543.001.271.120.491.06NA
PI 38:5; [M-H]-@5.44ME2139820.830.770.800.470.930.630.850.540.951.341.080.540.961.240.921.190.990.691.510.670.811.140.911.211.201.150.653.291.181.310.340.88NA
PC 33:3; [M-Ac-H]-@5.84ME2138750.781.531.030.900.430.770.800.410.881.970.610.590.811.011.141.581.771.211.420.910.360.881.211.551.211.450.491.380.721.020.620.56NA
CL 74:5; [M-2H](2-)@6.46ME2138360.821.021.520.750.360.910.230.580.732.120.870.660.450.770.590.682.051.192.010.910.471.330.511.591.200.930.462.801.031.530.470.47NA
PE 36:3; [M-H]-@6.60ME2139450.901.201.740.700.360.880.270.580.721.740.980.750.470.670.590.761.871.051.940.890.431.390.511.701.130.920.682.641.011.430.550.56NA
CL 74:3; [M-2H](2-)@6.36ME2138351.111.061.520.500.721.220.210.701.051.761.010.870.630.890.510.791.180.841.690.810.411.380.771.011.121.100.842.601.291.250.640.53NA
PE 36:2; [M-H]-@6.35ME2139430.941.071.600.960.651.010.540.421.091.071.110.720.701.010.380.931.331.331.430.530.661.820.831.031.090.890.642.061.271.230.810.80NA
CL 76:7; [M-2H](2-)@6.79ME2138411.410.950.820.770.860.520.280.940.721.510.990.491.061.100.620.931.750.601.830.500.920.770.510.901.912.010.831.830.521.880.440.84NA
PE 37:4; [M-H]-@6.72ME2139501.251.291.160.840.600.400.641.040.301.420.780.681.361.320.831.001.360.391.970.470.640.590.610.991.841.171.361.780.571.800.660.86NA
CL 78:7; [M-2H](2-)@6.71ME2138481.350.810.960.990.610.790.421.170.881.900.730.680.911.670.691.321.560.741.560.550.800.850.651.021.051.530.831.970.741.080.570.63NA
PE 38:4; [M-H]-@6.99ME2139551.471.001.070.840.630.750.460.890.971.570.730.670.891.630.641.311.390.751.550.700.830.960.651.031.091.520.981.980.770.980.620.70NA
CL 78:5; [M-2H](2-)@7.31ME2138471.431.160.900.860.700.640.460.560.931.140.850.790.781.460.691.161.750.681.890.800.741.060.601.121.231.301.081.930.721.160.710.73NA
PE 38:3; [M-H]-@7.30ME2139541.551.231.620.770.730.540.420.500.691.570.760.780.771.250.501.121.940.552.080.780.590.870.631.151.471.331.011.780.481.170.650.74NA
PE 34:2; [M-H]-@6.47ME2139341.221.421.971.010.460.690.450.520.582.011.010.950.430.870.520.751.690.792.490.580.531.260.411.211.111.240.791.860.621.040.770.77NA
PE 36:2; [M-H]-@7.05ME2139441.091.401.730.960.660.810.450.550.891.921.020.720.441.030.650.891.510.841.870.790.360.970.531.121.321.300.662.120.931.050.750.65NA
PE 38:5; [M-H]-@6.59ME2139561.131.111.330.640.250.410.370.580.462.081.090.590.690.740.550.861.820.761.810.690.511.060.461.341.991.360.862.360.821.750.770.77NA
PA 41:4; [M-H]-@6.57ME2138571.481.221.740.680.420.670.580.340.651.490.710.640.630.710.441.121.400.741.940.720.750.870.551.271.921.251.042.120.811.560.640.92NA
PE 40:5; [M-H]-@7.17ME2139621.501.231.530.650.520.490.440.580.761.800.760.940.621.070.791.221.470.871.550.610.580.800.461.021.721.531.051.940.741.290.600.91NA
PC 35:4; [M-Ac-H]-@6.05ME2138860.790.521.200.791.280.900.920.331.061.371.271.121.261.140.831.260.780.681.151.010.691.360.440.991.001.342.082.040.550.530.780.56NA
PC 37:1; [M-Ac-H]-@7.67ME2138961.410.721.360.971.320.520.580.670.831.410.971.141.021.120.901.941.220.621.000.740.551.010.890.940.670.971.421.920.910.940.870.43NA
PC 31:0; [M-Ac-H]-@6.32ME2138651.421.531.810.820.910.640.820.700.661.370.840.900.930.861.001.001.140.541.250.811.520.960.920.761.070.601.312.420.680.480.680.63NA
CL 68:1; [M-2H](2-)@7.36ME2138271.171.211.050.660.531.070.680.420.741.140.830.920.761.031.171.571.040.880.980.710.761.780.491.081.421.120.621.611.221.520.501.32NA
PC 38:3; [M-Ac-H]-@7.18ME2139041.181.211.420.510.940.570.830.480.991.290.790.740.510.940.951.511.630.851.700.431.010.721.190.671.600.761.392.150.651.180.370.84NA
CL 78:4; [M-2H](2-)@7.08ME2138461.551.331.560.760.570.640.590.500.621.361.091.170.701.120.761.361.640.781.440.680.860.920.760.860.890.891.122.090.741.150.640.85NA
PC 40:4; [M-Ac-H]-@7.41ME2139161.340.971.610.411.000.710.790.690.661.690.730.910.811.290.821.921.160.511.210.641.040.700.970.831.171.111.031.930.371.300.661.03NA
PC 36:1; [M-Ac-H]-@7.38ME2138890.751.561.120.541.040.650.800.820.701.610.880.840.470.980.851.330.980.691.130.570.490.980.901.041.721.171.082.280.901.490.750.89NA
PC 38:2; [M-Ac-H]-@7.55ME2139030.861.331.040.520.660.890.880.741.041.020.860.580.461.340.851.521.350.881.270.700.801.090.960.921.350.971.312.080.991.250.730.77NA
PC 36:2; [M-Ac-H]-@6.94ME2138900.981.001.040.801.061.130.710.760.881.411.060.830.701.020.821.261.011.220.870.970.830.811.030.931.141.370.981.791.040.900.880.73NA
PC 40:5; [M-Ac-H]-@7.13ME2139171.090.871.050.501.200.530.940.450.821.580.910.940.870.910.951.420.990.721.060.660.830.791.010.741.700.991.371.970.911.490.800.93NA
PC 38:4; [M-Ac-H]-@6.83ME2139051.230.701.150.790.880.920.830.440.921.440.880.711.190.880.961.431.230.870.930.701.130.771.020.781.451.401.421.800.721.200.420.85NA
PC 38:5; [M-Ac-H]-@6.47ME2139061.000.760.840.540.770.770.860.490.911.321.010.771.170.760.861.091.101.160.940.750.851.080.781.081.581.561.381.721.111.330.830.84NA
PE 38:2; [M-H]-@6.99ME2139531.210.911.690.820.961.130.670.870.391.550.611.450.680.850.791.711.400.751.091.041.220.930.701.161.231.310.931.060.770.630.580.90NA
PI 36:2; [M-H]-@5.95ME2139771.360.781.230.851.030.800.910.820.981.800.961.260.460.870.550.981.540.771.500.571.051.131.010.720.931.120.731.820.890.750.811.03NA
PC 40:9; [M-Ac-H]-@5.54ME2139211.530.971.540.840.940.770.720.841.171.340.901.330.721.350.491.280.950.881.060.820.950.900.690.621.001.190.791.650.890.960.861.05NA
PI 38:4; [M-H]-@5.95ME2139811.710.761.300.980.790.810.540.801.131.640.871.490.721.310.501.331.180.891.210.671.150.880.740.460.921.330.661.720.880.850.800.97NA
CerP 21:0; [M-H]-@2.12ME2138520.991.051.150.471.100.500.481.100.641.530.890.530.701.470.491.300.740.811.440.671.250.850.841.690.830.871.172.720.611.720.670.73NA
lysoPE 20:3; [M-H]-@1.70ME2139940.891.561.210.610.810.480.500.660.911.390.700.650.540.870.870.791.540.531.310.380.842.011.192.111.560.631.391.800.611.390.350.91NA
PC 34:4; [M-Ac-H]-@5.63ME2138801.321.011.170.550.820.780.600.690.831.660.920.740.660.950.630.791.501.141.210.570.542.130.732.170.920.651.741.700.351.010.511.03NA
PE 36:4; [M-H]-@6.30ME2139461.511.371.030.690.460.810.430.720.821.770.960.720.580.760.570.701.720.851.790.600.501.380.511.721.161.241.501.750.611.120.890.76NA
PC 36:5; [M-Ac-H]-@5.76ME2138940.960.931.140.620.820.700.730.530.731.590.830.790.800.870.770.970.990.941.160.590.771.930.521.471.441.131.641.770.900.951.190.82NA
PC 34:3; [M-Ac-H]-@5.88ME2138791.020.930.860.820.580.670.580.540.881.610.940.890.691.380.751.171.601.101.400.650.681.590.671.471.050.971.092.480.910.960.470.62NA
lysoPE 18:0; [M-H]-@2.56ME2139910.951.180.800.650.670.870.410.841.011.470.920.740.731.290.551.061.070.691.160.760.791.820.681.911.250.771.042.101.041.270.740.78NA
PC 34:1; [M-Ac-H]-@6.75ME2138760.971.010.780.530.680.740.620.710.771.480.730.830.501.180.581.161.370.641.600.660.731.780.671.951.321.191.172.171.011.180.590.69NA
PC 32:2; [M-Ac-H]-@5.70ME2138701.210.561.060.420.800.760.740.720.891.750.960.670.561.770.641.311.661.211.480.570.481.360.431.741.220.981.041.700.800.950.750.79NA
PC 32:0; [M-Ac-H]-@6.69ME2138681.051.161.270.750.800.920.670.510.681.570.790.920.741.330.731.211.310.911.170.751.211.290.861.591.421.061.121.310.640.850.850.55NA
PC 36:4; [M-Ac-H]-@6.16ME2138931.350.641.120.670.981.130.580.440.791.371.000.771.040.940.640.981.550.961.150.530.961.280.591.361.181.441.291.530.881.250.740.89NA
PC 34:2; [M-Ac-H]-@6.31ME2138781.180.840.830.770.721.100.520.740.911.460.900.760.711.210.621.191.491.211.150.930.891.320.791.440.941.270.971.641.061.020.710.71NA
PC 36:3; [M-Ac-H]-@6.49ME2138911.130.910.960.630.770.920.680.710.991.340.800.640.731.090.790.991.671.051.480.760.981.150.931.411.071.171.051.761.091.070.550.72NA
plasmenyl-PE 36:4; [M-H]-@6.72ME2140061.320.930.850.270.571.180.440.660.451.150.740.890.360.850.561.161.221.141.131.280.891.390.952.110.821.582.161.940.471.210.420.90NA
plasmenyl-PE 34:1; [M-H]-@7.24ME2140000.890.811.300.610.640.680.560.600.721.440.940.970.701.210.651.511.010.751.160.800.701.320.631.381.231.541.042.950.511.160.461.13NA
plasmenyl-PE 38:3; [M-H]-@7.60ME2140100.860.630.730.400.850.890.390.770.661.250.710.920.711.130.751.481.161.140.980.921.061.800.911.161.141.571.402.630.401.150.411.07NA
plasmenyl-PE 36:3; [M-H]-@6.97ME2140050.610.780.750.390.771.250.540.960.791.190.710.720.691.050.711.240.991.370.881.420.951.510.951.681.031.801.112.410.770.870.440.67NA
plasmenyl-PE 38:4; [M-H]-@7.30ME2140110.870.640.670.520.741.040.270.930.661.060.780.840.781.380.711.801.150.950.840.891.241.180.911.710.801.881.382.090.361.260.591.06NA
plasmenyl-PE 38:5; [M-H]-@6.84ME2140120.820.660.780.370.801.060.490.770.811.290.890.740.791.050.741.441.061.010.931.110.941.750.851.941.001.661.101.910.981.050.520.70NA
plasmenyl-PE 40:5; [M-H]-@7.39ME2140160.910.790.810.410.740.940.320.850.671.621.020.770.721.210.841.651.231.001.020.770.921.380.801.700.901.331.202.000.891.290.530.77NA
plasmenyl-PE 40:5; [M-H]-@7.62ME2140170.910.790.810.400.740.940.320.850.681.631.010.760.721.220.841.641.231.001.020.770.931.380.791.690.901.341.202.000.891.290.530.77NA
PG 36:0; [M-H]-@6.94ME2139700.990.540.850.280.740.630.190.810.711.511.030.700.751.170.562.511.370.760.900.811.011.320.672.060.941.391.552.090.551.220.401.00NA
plasmenyl-PE 40:4; [M-H]-@7.82ME2140151.010.811.110.600.661.020.271.050.591.180.820.420.671.850.622.120.970.611.340.991.170.800.841.660.731.151.682.310.520.960.560.92NA
CL 76:8; [M-2H](2-)@6.86ME2138420.980.560.590.330.811.530.170.860.300.890.670.411.620.720.872.371.591.151.080.620.830.710.542.280.792.360.460.202.280.961.850.60NA
PE 35:1; [M-H]-@7.17ME2139370.660.801.280.482.181.280.370.960.430.510.650.521.322.120.611.460.840.841.340.262.360.911.543.160.561.340.360.601.070.530.000.63NA
PC 30:2; [M-Ac-H]-@5.00ME2138640.851.560.520.292.781.200.910.620.561.390.520.410.721.010.310.931.440.660.890.810.521.761.383.880.340.850.262.040.520.550.910.62NA
lysoPE 22:5; [M-H]-@1.64ME2139980.831.051.070.521.390.950.680.600.601.510.451.040.640.980.721.450.960.840.920.960.801.351.902.800.820.810.441.201.210.930.650.92NA
PC 34:5; [M-Ac-H]-@5.24ME2138810.411.500.520.512.091.000.880.570.402.090.550.760.721.501.240.710.990.890.860.630.481.671.492.451.080.530.661.391.000.750.850.82NA
PE 38:1; [M-H]-@7.41ME2139510.390.530.670.763.802.310.450.880.270.730.551.071.221.190.932.660.630.451.440.730.750.083.271.161.470.580.720.590.470.680.240.34NA
PE 39:4; [M-H]-@7.73ME2139581.111.410.440.671.081.450.490.800.461.020.352.281.092.210.981.341.471.101.261.021.170.811.160.930.581.890.670.490.560.450.470.78NA
PC 37:6; [M-Ac-H]-@5.93ME2139010.860.220.630.452.651.910.530.530.790.940.810.771.111.031.101.170.640.890.771.751.530.762.670.860.821.180.740.621.590.600.570.49NA
PC 42:4; [M-Ac-H]-@7.99ME2139250.830.930.780.342.282.200.931.181.070.530.720.620.851.100.671.550.721.131.371.601.110.661.821.110.510.830.580.921.270.830.490.48NA
CL 74:1; [M-2H](2-)@6.80ME2138331.181.371.050.662.011.290.660.670.991.160.650.850.921.470.811.160.901.231.281.201.080.821.661.090.690.780.600.901.070.340.850.60NA
PC 35:1; [M-Ac-H]-@7.17ME2138830.600.840.520.601.691.420.711.090.690.860.590.740.791.641.021.860.680.920.991.181.010.741.891.250.710.930.751.401.430.771.020.67NA
CL 76:10; [M-2H](2-)@6.67ME2138370.630.620.500.762.861.350.450.760.360.860.260.641.021.110.793.490.690.730.621.822.230.622.260.970.351.210.320.521.640.390.790.38NA
CL 78:3; [M-2H](2-)@7.08ME2138440.890.501.190.812.241.630.481.140.480.830.490.740.681.640.903.021.221.281.291.411.170.721.730.950.550.740.440.760.880.410.350.42NA

Factors:

F1Pair:Pair 1 | Timepoint:T0 | Treatment response:No
F2Pair:Pair 1 | Timepoint:T0 | Treatment response:Yes
F3Pair:Pair 1 | Timepoint:T2 | Treatment response:No
F4Pair:Pair 1 | Timepoint:T2 | Treatment response:Yes
F5Pair:Pair 2 | Timepoint:T0 | Treatment response:No
F6Pair:Pair 2 | Timepoint:T0 | Treatment response:Yes
F7Pair:Pair 2 | Timepoint:T2 | Treatment response:No
F8Pair:Pair 2 | Timepoint:T2 | Treatment response:Yes
F9Pair:Pair 3 | Timepoint:T0 | Treatment response:No
F10Pair:Pair 3 | Timepoint:T0 | Treatment response:Yes
F11Pair:Pair 3 | Timepoint:T2 | Treatment response:No
F12Pair:Pair 3 | Timepoint:T2 | Treatment response:Yes
F13Pair:Pair 4 | Timepoint:T0 | Treatment response:No
F14Pair:Pair 4 | Timepoint:T0 | Treatment response:Yes
F15Pair:Pair 4 | Timepoint:T2 | Treatment response:No
F16Pair:Pair 4 | Timepoint:T2 | Treatment response:Yes
F17Pair:Pair 5 | Timepoint:T0 | Treatment response:No
F18Pair:Pair 5 | Timepoint:T0 | Treatment response:Yes
F19Pair:Pair 5 | Timepoint:T2 | Treatment response:No
F20Pair:Pair 5 | Timepoint:T2 | Treatment response:Yes
F21Pair:Pair 6 | Timepoint:T0 | Treatment response:No
F22Pair:Pair 6 | Timepoint:T0 | Treatment response:Yes
F23Pair:Pair 6 | Timepoint:T2 | Treatment response:No
F24Pair:Pair 6 | Timepoint:T2 | Treatment response:Yes
F25Pair:Pair 7 | Timepoint:T0 | Treatment response:No
F26Pair:Pair 7 | Timepoint:T0 | Treatment response:Yes
F27Pair:Pair 7 | Timepoint:T2 | Treatment response:No
F28Pair:Pair 7 | Timepoint:T2 | Treatment response:Yes
F29Pair:Pair 8 | Timepoint:T0 | Treatment response:No
F30Pair:Pair 8 | Timepoint:T0 | Treatment response:Yes
F31Pair:Pair 8 | Timepoint:T2 | Treatment response:No
F32Pair:Pair 8 | Timepoint:T2 | Treatment response:Yes
F33Pair:Pooled | Timepoint:Pooled | Treatment response:Pooled
Data matrix
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