Clustering data with hclust algorithm for Metabolomics-based screening of the Malaria Box reveals both novel and established mechanisms of action (Study ST000414)

HILIC NEGATIVE ION MODE (Analysis AN000656)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53F54F55F56F57F58F59F60F61F62F63F64F65F66F67F68F69F70F71F72F73F74F75F76F77F78F79F80F81F82F83F84F85F86F87F88F89F90F91F92F93F94F95F96F97F98F99F100F101F102F103F104F105F106F107F108F109F110F111F112F113F114F115F116F117
(S)-DihydroorotateME1369420.220.070.050.04NA3.704.610.190.210.090.080.110.070.150.570.112.422.890.080.240.070.140.060.130.090.050.820.080.070.060.064.950.112.020.060.050.060.050.280.060.05NA0.072.434.460.090.060.080.151.610.070.054.920.060.060.071.810.090.060.090.064.130.340.090.120.08NA0.060.070.10NANA0.580.070.113.240.084.123.050.071.730.09NANA0.29NA0.740.570.180.27NA0.53NA0.353.740.30NA0.330.364.180.340.27NA1.440.510.460.780.150.090.050.090.100.060.07NANA0.29
ATPME1369220.730.250.540.760.511.070.451.452.540.590.585.600.626.960.6210.250.570.512.664.110.580.570.540.750.650.580.730.723.290.480.540.530.600.500.400.360.280.520.320.360.480.570.250.260.270.340.260.240.320.340.860.370.280.370.300.340.630.240.300.260.370.510.440.371.370.561.120.320.311.060.440.420.360.541.180.530.320.330.412.180.650.450.450.730.620.440.520.640.630.560.620.590.400.770.490.410.430.540.520.500.560.490.581.644.023.435.190.460.602.081.260.410.370.450.480.850.75
L-CysteateME1369401.200.670.710.540.912.150.522.051.331.740.750.850.811.180.821.420.700.833.461.340.840.730.540.530.680.460.540.520.790.630.560.690.680.600.560.660.470.610.640.640.760.460.630.660.630.750.660.660.590.640.570.780.660.520.690.670.560.790.690.510.670.670.680.620.570.740.650.600.510.670.650.680.580.730.670.590.570.660.600.820.670.710.470.540.540.590.670.610.540.570.720.690.470.530.550.580.490.650.640.550.680.640.961.455.874.498.471.061.610.630.590.480.820.570.710.850.85
Glycerone phosphateME1369350.900.300.390.550.791.420.770.690.760.770.560.430.721.630.591.160.590.570.910.850.590.620.480.510.480.460.540.540.630.620.680.560.510.450.430.320.390.420.430.480.521.560.330.320.370.460.330.370.410.360.550.670.341.600.410.530.560.360.460.420.400.450.390.470.650.412.580.370.330.640.470.430.470.570.430.360.430.420.420.460.480.480.512.410.440.400.380.410.430.470.480.500.530.440.420.340.400.380.420.370.410.450.523.893.464.5911.241.180.580.750.660.550.470.470.530.560.42
(-)-Jasmonic acidME1370100.460.550.460.490.621.690.520.801.060.470.590.850.611.510.642.440.680.602.302.170.630.820.400.550.430.450.520.440.660.430.470.560.480.510.500.430.400.590.570.480.550.630.570.560.510.690.520.480.510.580.530.510.510.550.430.470.490.520.520.660.630.530.640.670.600.660.630.610.610.570.620.720.760.850.630.710.600.610.652.700.590.620.420.400.390.360.360.400.410.400.410.460.340.330.330.390.350.340.420.410.470.430.344.342.542.639.820.360.530.420.550.600.560.650.680.470.49
OrotateME1369430.940.900.770.610.291.32NA1.150.940.620.790.880.840.792.330.960.960.690.221.000.900.850.560.930.950.343.630.810.790.420.712.020.965.990.560.770.560.791.350.750.900.700.933.012.451.000.680.800.513.750.530.422.300.820.820.793.380.580.880.840.893.780.910.450.640.640.970.580.610.320.610.291.000.630.811.390.651.090.550.641.620.550.270.760.740.560.750.790.730.730.610.720.630.421.570.590.430.680.741.520.720.72NA1.300.860.810.710.680.590.880.650.860.980.560.710.360.36
PhenylpropanoateME1370350.280.690.600.661.850.640.710.700.630.600.840.860.700.320.750.810.850.680.860.800.870.800.610.910.680.840.710.930.630.670.910.780.560.640.700.720.720.680.920.690.831.050.660.600.490.470.500.570.310.550.470.390.540.440.590.530.550.490.370.450.480.572.903.133.723.283.533.380.710.770.780.772.942.953.203.343.302.730.660.720.840.760.850.790.910.880.930.910.930.791.000.770.800.880.800.810.790.841.410.870.800.880.671.450.630.680.630.560.700.900.750.790.632.881.820.620.47
D-Fructose 1,6-bisphosphateME1369540.820.180.640.770.681.070.511.361.780.660.621.990.773.690.815.630.640.642.302.440.700.590.601.170.821.011.011.182.270.750.850.690.730.740.500.580.440.630.560.550.731.000.210.250.250.300.240.250.310.350.800.360.250.540.290.350.520.210.300.280.320.500.480.461.280.711.750.440.391.090.580.580.500.700.990.630.440.490.561.430.850.570.471.070.660.570.540.600.610.560.660.630.390.740.500.460.440.660.470.560.530.500.662.563.654.115.880.470.562.191.630.340.320.550.550.850.62
CitrateME1369321.280.350.870.990.861.420.691.962.551.080.911.431.073.161.005.960.880.953.063.861.070.920.711.101.030.990.991.201.580.971.130.950.980.790.600.670.560.830.930.830.970.780.390.310.370.480.370.380.490.451.060.570.570.510.490.590.870.400.500.440.560.670.740.731.840.871.640.440.421.580.730.660.701.071.600.860.650.730.761.801.210.800.640.840.810.580.830.850.760.710.860.760.351.260.480.420.410.900.800.570.780.560.900.741.531.294.050.891.002.722.030.710.640.931.051.361.38
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acidME1370130.890.360.770.950.791.520.591.511.590.860.810.861.013.031.207.970.870.983.584.601.180.830.870.960.790.941.011.021.151.051.110.890.770.860.550.640.640.940.750.850.991.010.380.430.450.490.420.420.550.460.770.670.460.790.530.560.740.450.450.490.530.640.920.711.280.901.590.600.511.070.760.660.760.921.250.920.670.881.001.271.180.820.890.950.830.590.860.740.710.660.870.780.470.920.460.470.490.840.820.610.780.560.670.981.812.653.110.660.591.951.590.700.571.191.171.211.37
LinoleateME1370110.850.450.871.520.731.330.601.261.320.900.870.890.972.412.117.110.941.024.373.841.440.830.980.970.951.221.101.091.261.031.271.070.870.860.720.720.751.240.910.911.031.310.480.510.550.570.480.520.600.560.830.740.540.990.600.670.770.580.540.580.560.730.940.731.160.881.530.680.610.910.750.710.780.891.050.900.750.910.981.211.000.900.830.990.860.650.820.810.740.680.820.790.590.170.570.590.570.820.810.620.810.580.700.941.352.282.530.640.641.731.550.740.661.211.111.151.28
Glu-GluME1369741.240.671.391.040.641.460.941.021.440.700.950.721.791.451.181.501.551.771.217.111.031.640.971.401.180.951.321.171.011.341.411.181.791.400.781.080.981.041.000.971.000.540.570.700.760.700.660.750.600.710.540.610.670.440.900.660.860.530.640.790.730.910.850.760.820.800.580.830.920.810.920.870.840.730.780.960.840.970.930.960.870.880.710.370.910.880.971.090.941.200.920.900.751.011.080.790.540.760.870.890.810.85NA0.921.224.472.680.550.802.651.700.810.840.800.711.261.51
AntirhineME1371010.571.090.650.450.841.030.540.400.610.571.010.501.331.101.181.111.381.301.321.661.751.110.620.710.610.761.140.730.900.851.030.820.660.520.640.660.780.950.890.870.650.721.041.191.231.190.891.021.031.271.100.971.251.060.861.530.991.250.931.391.680.961.051.271.081.081.261.370.791.061.261.331.361.841.801.421.061.341.251.591.101.230.841.090.810.850.891.451.091.151.021.381.211.141.231.261.271.261.271.591.121.660.550.60NA0.090.090.480.401.160.820.741.291.501.641.331.82
7E,9E,11-Dodecatrienyl acetateME1370880.561.100.640.490.841.060.540.460.590.621.010.501.281.181.181.151.311.301.341.701.701.100.670.750.600.781.130.830.920.851.100.850.670.560.660.760.710.930.890.920.650.621.011.231.251.100.991.091.071.231.161.061.361.150.991.510.991.160.941.511.681.000.981.271.201.031.251.360.891.231.331.441.391.941.791.591.171.451.221.601.231.370.791.100.800.850.911.420.991.040.951.491.101.231.191.171.191.171.161.611.141.600.570.620.150.260.240.490.451.020.960.861.261.511.491.371.64
PhytuberinME1369950.541.130.660.460.881.050.540.420.600.611.020.501.351.231.191.191.341.311.361.811.871.110.640.740.590.841.160.820.920.851.100.830.640.540.670.710.710.950.880.900.660.621.021.221.201.170.961.081.071.271.171.041.401.080.951.581.021.190.961.401.690.981.071.351.181.141.331.460.901.291.271.331.391.921.841.561.071.491.281.651.201.330.801.070.780.840.871.460.981.030.981.471.061.271.231.201.231.181.211.581.131.630.540.590.030.080.080.480.431.020.920.791.261.571.551.341.61
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acidME1370870.660.501.061.170.771.130.740.970.910.711.300.711.011.080.892.140.880.621.181.841.040.760.920.881.471.581.021.371.370.861.421.921.160.781.120.870.721.321.050.731.331.440.370.650.680.470.660.520.580.630.650.940.530.810.620.500.660.920.570.670.460.531.561.191.821.661.452.001.111.191.141.061.141.050.851.851.500.970.600.781.321.171.280.841.431.111.571.440.880.671.431.010.920.750.860.700.730.620.810.950.990.860.861.210.290.470.900.660.371.801.240.500.741.431.510.751.25
2-Aminomuconate semialdehydeME1370300.831.031.090.780.590.810.680.430.910.820.760.820.691.090.750.870.690.990.910.920.830.691.160.910.930.660.660.860.791.191.141.030.950.851.041.410.561.040.990.721.110.620.771.200.911.271.210.670.930.900.841.231.031.270.951.130.691.060.591.110.680.890.670.760.680.810.850.950.940.760.451.050.780.520.930.910.931.010.720.850.750.820.821.011.021.161.120.750.901.040.871.281.000.761.290.940.741.580.690.970.921.810.522.731.692.201.320.490.440.640.380.821.110.470.710.551.23
3-SuccinoylpyridineME1371211.361.120.830.620.871.040.740.781.021.100.850.670.731.070.720.760.670.790.810.850.720.690.770.690.760.660.810.540.760.810.690.820.750.780.710.820.420.640.740.590.780.571.011.091.031.261.041.060.960.911.081.181.101.151.081.140.941.141.001.030.960.990.981.060.610.841.030.830.800.880.730.941.070.820.730.681.081.080.760.750.650.840.690.700.680.800.840.780.790.820.770.860.700.570.650.620.700.850.790.820.810.770.632.692.932.161.520.900.840.590.550.971.370.500.660.680.77
N-PhenylacetamideME1370061.280.890.790.761.010.920.760.741.081.050.760.580.691.010.760.650.610.750.540.780.670.630.650.720.770.710.920.670.750.770.700.740.680.900.600.750.510.690.770.650.800.670.911.061.031.330.970.850.820.790.901.150.981.220.921.200.740.931.020.860.990.891.631.890.731.150.891.061.390.861.121.281.491.300.831.031.431.061.051.070.671.090.700.580.630.590.740.650.620.690.740.660.530.570.730.610.750.660.630.660.660.790.572.363.732.671.270.930.760.810.900.670.640.851.330.560.39
2-PhenylacetamideME1370401.110.730.940.760.990.930.760.720.760.850.820.690.990.700.840.750.800.710.760.820.620.780.710.690.760.730.950.810.810.860.800.820.730.870.740.750.700.740.720.740.830.750.760.840.741.030.850.930.940.780.890.930.830.990.961.151.000.770.840.940.860.751.051.051.081.041.050.780.791.050.961.211.091.131.091.141.251.061.021.151.171.010.991.051.091.171.131.221.181.161.241.190.990.881.140.961.031.161.101.151.181.190.721.992.761.921.060.830.820.950.970.780.820.981.311.131.08
methylphosphateME1369970.571.100.841.010.690.740.750.480.490.580.790.600.880.630.710.640.710.770.671.030.680.630.780.770.790.690.850.760.920.830.670.650.880.810.920.710.850.780.831.060.760.871.221.060.830.990.711.070.811.000.730.920.890.670.530.850.761.030.870.910.930.940.970.981.291.091.020.850.821.230.860.831.271.281.050.850.970.930.771.511.010.950.730.690.640.710.710.720.760.860.730.640.780.690.540.680.720.620.820.780.640.760.603.421.282.171.370.780.760.760.690.651.010.750.650.710.75
3-PhosphonopyruvateME1369660.950.770.920.920.781.000.760.880.940.880.890.800.991.130.921.190.850.910.860.950.920.930.641.010.910.780.990.981.010.951.061.070.830.980.790.840.810.880.890.900.850.590.740.800.860.920.760.770.800.770.810.850.820.540.870.870.780.790.910.810.810.810.730.801.130.850.890.580.551.010.930.840.880.971.020.820.800.860.830.960.930.990.600.570.790.640.710.830.820.720.770.820.500.590.670.640.510.800.760.630.700.760.863.031.892.001.280.790.841.101.130.870.810.771.040.640.75
D-Fructose 6-phosphateME1369230.820.970.870.840.791.000.740.800.810.800.880.710.870.910.770.740.810.800.700.790.790.820.670.870.760.770.940.810.800.880.860.880.770.810.780.780.690.750.860.750.850.520.991.001.020.880.961.000.900.900.980.960.960.710.981.040.940.980.961.010.940.961.000.981.001.220.570.930.900.820.910.891.020.860.940.931.030.950.890.971.180.910.870.510.880.911.091.120.861.130.850.950.880.800.830.720.830.910.921.100.940.880.672.421.981.911.840.710.840.900.730.800.930.840.920.860.90
3-MethyleneoxindoleME1371180.920.590.630.640.791.071.150.941.011.020.760.820.601.080.881.200.941.101.231.350.930.650.790.930.940.420.680.550.890.610.680.701.540.790.530.850.470.650.720.790.700.710.640.750.620.440.550.520.460.580.450.450.540.510.570.350.520.680.670.570.480.650.560.720.340.580.970.740.620.800.900.731.070.770.660.751.131.350.841.140.630.850.820.801.080.720.901.010.530.510.960.710.910.520.931.100.941.160.610.760.651.000.913.682.632.912.051.090.740.930.490.610.380.560.800.450.74
ancymidolME1370000.700.610.680.670.700.730.620.600.590.740.700.620.720.850.690.770.750.750.820.780.720.720.580.640.700.670.720.590.760.710.670.720.560.700.600.660.600.750.730.670.700.820.630.680.670.740.700.740.720.680.650.730.660.790.670.720.660.740.670.690.650.670.660.720.580.670.730.670.660.650.640.780.680.690.610.610.730.740.660.650.620.700.720.660.640.710.660.680.700.720.680.710.730.580.650.670.760.680.760.780.720.730.654.962.352.841.890.720.680.650.710.600.670.630.680.680.69
HydroxymethylphosphonateME1369930.730.560.940.950.680.770.760.810.750.780.780.770.770.840.671.150.670.700.771.250.670.720.840.950.890.991.010.940.991.050.950.880.900.900.870.830.860.880.950.800.890.820.540.610.590.640.610.610.660.590.730.720.610.690.660.680.710.600.560.680.640.680.720.820.710.730.770.690.670.830.680.810.730.810.640.710.820.820.770.880.820.740.700.560.640.680.690.780.790.760.790.810.600.560.630.610.670.770.770.670.700.700.773.762.383.312.030.680.751.571.330.610.680.670.790.660.91
2,3,4,5-TetrahydrodipicolinateME1370310.780.941.060.570.620.920.400.530.451.110.910.780.981.590.991.351.091.021.121.140.930.841.100.340.850.780.750.660.880.970.700.680.630.750.830.860.590.800.940.810.800.680.710.750.860.830.820.530.690.600.720.830.630.880.950.840.540.710.781.250.780.530.840.880.470.790.800.680.920.640.560.771.250.990.490.810.760.780.511.210.820.710.810.960.670.970.890.811.100.970.990.830.790.581.090.910.830.681.030.830.820.931.022.792.532.332.290.931.240.860.931.001.220.641.121.270.77
2,3,5-TrihydroxytolueneME1371070.660.520.920.840.831.250.660.780.780.750.780.581.411.571.221.790.941.351.552.281.270.890.660.850.700.900.870.750.960.800.870.760.830.910.620.660.640.620.730.620.720.860.610.590.700.670.470.640.970.610.670.740.720.800.750.720.790.590.700.700.640.780.861.010.770.901.070.810.820.950.880.830.911.030.920.811.091.010.910.990.910.830.750.820.890.931.000.941.031.110.880.830.680.720.930.750.670.890.831.040.790.841.012.441.423.733.290.840.821.111.080.810.580.740.731.061.10
4-Amino-4-deoxychorismateME1369450.690.530.981.050.671.110.880.580.620.720.790.651.241.140.861.340.830.850.981.460.900.860.901.060.771.051.030.930.990.911.110.900.961.030.750.681.080.710.790.880.811.010.520.720.670.690.570.670.750.750.750.830.670.810.730.760.790.690.690.820.710.980.760.940.640.890.830.700.710.830.820.860.770.860.630.760.900.850.840.850.900.850.600.720.820.920.921.060.961.080.910.890.600.730.840.710.630.831.031.010.760.880.572.771.273.352.350.840.831.101.210.960.840.630.731.241.18
Gentisyl alcoholME1371190.671.000.760.720.771.180.670.740.670.900.800.601.261.091.031.010.791.181.091.311.100.871.000.690.630.680.910.690.820.830.761.040.940.810.840.700.800.770.650.670.830.620.720.810.771.260.670.890.970.640.981.120.791.211.151.170.750.711.141.250.830.890.740.720.690.750.830.680.610.770.740.800.640.730.840.770.730.580.760.750.740.810.750.990.960.790.910.991.020.860.910.880.960.890.910.880.860.900.980.860.860.900.932.611.863.472.220.690.701.141.020.700.820.590.580.971.39
PsychosineME1369800.880.561.191.421.110.741.051.040.910.880.970.860.960.790.771.060.820.820.960.760.890.851.901.101.052.261.701.470.900.921.250.820.961.471.500.911.621.641.251.120.992.520.680.620.750.410.530.810.780.640.750.730.500.970.870.500.780.620.640.640.680.830.621.241.031.261.840.971.011.031.010.980.621.341.320.900.640.961.111.401.010.950.800.921.331.040.910.891.090.781.130.900.940.870.901.011.030.921.131.061.171.021.060.801.051.061.001.000.981.271.660.910.590.860.631.170.85
PG(36:1)ME1370680.790.971.040.860.780.910.840.920.751.010.910.711.021.401.150.970.981.020.781.100.751.240.890.910.890.161.070.990.980.971.050.920.780.860.820.970.860.770.991.041.000.310.970.880.781.131.010.910.850.820.960.980.730.610.541.060.780.990.860.840.920.821.461.431.391.670.800.850.981.331.590.611.481.600.860.911.550.940.741.561.430.951.840.631.611.621.660.991.520.621.371.511.401.491.230.941.501.571.611.280.990.650.740.970.700.740.730.800.870.880.100.910.960.711.150.581.75
Furfural diethyl acetalME1371020.600.740.831.030.740.930.550.520.550.590.910.620.841.100.911.040.931.051.211.001.040.790.901.271.101.920.841.321.060.901.111.020.880.930.791.051.000.981.181.021.200.960.910.790.770.840.670.650.740.860.800.790.620.730.820.820.740.760.770.680.710.710.891.121.080.761.001.050.850.890.990.960.850.850.880.930.840.880.760.940.790.961.031.071.040.971.071.060.910.861.031.151.391.191.381.241.141.231.251.281.151.330.701.760.831.333.100.430.611.441.360.710.750.840.951.261.10
Traumatic acidME1369480.741.090.760.970.831.420.790.700.710.790.950.660.801.200.951.430.940.891.701.110.780.700.951.020.620.910.690.900.840.840.920.940.910.870.970.721.030.110.751.000.861.041.131.050.941.131.071.041.020.991.030.921.021.130.350.981.101.040.910.971.091.130.840.820.950.780.790.870.750.950.850.940.770.880.830.930.890.730.860.820.980.830.970.941.061.000.790.951.090.981.000.910.880.920.921.010.901.030.900.890.941.030.891.620.752.543.930.660.870.820.761.220.930.940.710.850.82
O-Succinyl-L-homoserineME1370361.240.590.830.690.901.260.701.141.230.920.981.361.721.631.381.801.311.241.294.100.971.030.890.910.740.891.110.770.680.830.910.971.220.990.670.830.700.590.790.801.010.620.660.710.860.810.570.740.650.960.790.710.770.600.800.840.750.730.710.670.830.991.111.010.750.970.581.011.140.940.970.951.020.890.951.051.051.000.980.930.861.010.910.560.991.011.081.151.021.321.010.960.831.071.150.920.660.910.971.171.000.980.661.061.282.482.340.860.811.161.420.850.870.850.801.261.48
OrotidineME1369410.930.820.940.850.821.010.801.251.231.010.920.741.070.990.940.880.981.010.903.040.961.000.890.920.910.961.030.880.860.980.950.911.451.060.900.850.750.880.980.820.890.800.740.790.840.880.720.771.250.820.860.860.820.880.780.880.790.790.780.870.790.830.840.931.000.931.000.830.810.950.840.870.830.911.010.890.830.910.830.980.970.900.760.780.830.850.891.170.981.040.900.860.650.781.040.830.721.000.900.910.870.891.011.481.573.072.281.210.921.011.030.840.960.570.651.151.11
2,7-Anhydro-alpha-N-acetylneuraminic acidME1370020.950.661.111.030.931.380.871.060.960.950.910.711.461.471.171.540.931.111.182.061.051.041.041.160.881.041.100.870.951.031.240.991.331.200.790.740.850.740.800.760.850.850.680.820.880.870.670.850.980.800.910.890.850.970.810.910.820.740.770.850.780.910.971.020.880.971.030.910.810.980.920.950.990.990.900.901.171.080.920.950.910.980.670.700.910.950.901.060.911.070.901.020.690.901.020.840.620.880.970.990.820.910.941.361.082.212.170.990.961.371.530.850.820.770.831.231.30
N-Acetyl-D-glucosaminateME1370030.950.630.921.040.901.400.641.191.140.890.890.591.261.741.071.900.911.051.302.521.051.020.750.880.640.810.910.580.740.880.890.791.111.000.530.860.500.690.560.720.620.590.600.550.700.870.660.730.770.610.790.730.680.920.860.730.670.630.650.670.710.750.891.020.900.951.050.860.630.940.941.001.001.030.900.810.991.000.900.990.890.950.730.821.001.061.021.210.961.310.961.080.740.891.030.780.781.011.011.000.910.901.041.601.373.022.800.940.901.341.400.630.590.690.771.481.54
2-Dehydro-3-deoxy-D-gluconateME1369640.980.641.121.530.851.041.051.610.970.770.841.101.031.200.921.400.810.861.062.250.880.821.151.171.190.871.370.851.431.040.771.061.991.101.030.910.961.001.031.091.021.160.780.690.830.640.520.901.480.920.580.560.870.520.991.011.150.650.460.360.601.140.830.931.600.831.250.700.681.210.670.621.021.221.220.920.850.820.711.361.060.700.610.630.750.730.770.880.850.780.770.730.620.870.730.660.670.750.690.770.790.710.891.821.592.392.290.870.732.261.180.650.810.510.680.850.92
D-XylonateME1369921.240.541.000.960.821.080.741.541.501.091.030.811.181.141.071.501.101.101.001.681.091.090.941.250.881.001.140.800.941.001.060.951.421.360.660.800.630.700.720.690.970.850.520.590.660.790.540.650.770.680.980.780.670.850.770.830.760.620.630.690.690.851.040.701.011.191.080.930.870.571.051.060.721.101.090.620.631.111.061.220.460.610.610.840.760.850.621.190.760.890.621.200.720.920.670.580.580.660.710.751.030.721.111.792.652.472.531.061.021.951.770.730.700.430.470.681.61
Glu-AspME1369751.910.731.190.840.551.501.181.381.750.991.090.771.750.910.960.961.011.050.772.750.840.920.731.271.060.951.321.200.950.921.301.071.131.260.740.810.850.891.040.910.910.510.760.930.950.870.780.880.790.950.950.741.020.620.971.041.030.810.960.961.081.161.041.041.461.170.960.760.791.741.020.781.121.071.121.151.091.151.031.051.351.060.950.630.950.990.991.151.091.051.061.180.710.990.960.790.680.841.061.060.930.880.370.660.481.410.770.461.381.851.791.051.200.841.021.281.39
N-Succinyl-L-glutamateME1370321.510.621.081.260.650.690.461.161.401.151.040.901.281.420.931.260.580.470.912.331.090.900.691.250.931.143.021.081.011.181.390.821.141.130.850.860.810.740.890.940.990.650.610.570.711.010.660.880.900.791.150.920.580.780.971.040.940.750.871.060.830.951.011.071.381.130.780.870.850.591.001.060.981.421.370.701.040.650.551.160.841.040.820.550.941.060.921.001.241.121.081.030.731.010.890.770.711.211.230.710.920.930.401.180.961.661.370.721.012.331.930.830.770.961.131.071.35
UMPME1369181.101.771.560.810.310.760.250.991.051.380.990.681.270.951.031.330.400.340.721.110.820.870.641.271.130.861.250.911.020.810.880.541.241.901.051.220.880.911.060.660.750.261.341.601.001.491.611.550.941.560.940.501.080.421.931.441.611.391.291.131.290.950.890.810.911.020.390.861.010.850.960.871.090.740.920.611.180.580.720.891.250.930.520.280.780.770.830.820.880.800.850.870.880.860.800.760.590.880.980.940.930.990.221.511.000.831.081.360.771.110.961.211.241.291.140.911.40
Asp-GlyME1369731.151.681.140.560.400.920.970.980.930.991.130.841.180.560.900.520.920.890.490.901.081.040.981.011.080.661.150.990.950.581.050.820.940.930.961.261.051.131.121.101.160.591.511.270.961.341.461.570.751.200.560.411.100.741.511.271.141.541.401.131.461.041.040.961.311.220.860.880.791.841.000.661.161.161.221.041.181.111.121.101.201.071.070.650.950.900.911.151.080.921.081.090.640.880.920.750.601.020.950.961.010.790.841.080.590.520.410.911.340.741.011.311.661.001.191.061.12
Gln-TyrME1370461.201.371.280.580.351.161.201.101.130.791.111.110.970.760.850.860.850.860.250.820.860.970.720.901.230.451.091.230.940.431.011.541.081.530.821.560.882.051.401.041.390.451.181.331.131.091.171.210.591.460.540.371.210.641.191.171.221.121.420.851.151.201.090.770.681.260.490.960.961.020.890.690.970.890.940.941.160.751.060.811.001.011.160.540.990.961.061.021.040.971.191.031.100.980.971.060.990.841.131.041.071.090.300.990.720.440.660.381.140.920.931.491.511.411.300.940.86
2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactoneME1371051.080.990.820.821.091.270.400.480.810.970.920.481.661.711.711.911.501.441.892.101.881.580.750.890.870.880.971.000.900.920.980.850.790.720.590.780.810.940.900.950.910.770.950.990.930.950.860.850.951.021.000.900.971.010.910.950.990.970.891.051.330.950.841.180.811.061.381.120.880.930.800.881.411.300.701.121.220.921.201.251.050.810.740.790.660.990.811.000.971.040.831.061.380.930.891.030.760.750.891.291.071.950.651.050.791.401.210.720.670.971.010.811.040.941.060.830.89
Glu-Met-ThrME1369721.001.030.730.770.891.590.850.750.900.900.820.702.441.331.391.751.401.631.411.671.700.980.730.680.750.790.770.690.640.750.720.760.690.820.720.610.720.690.770.700.740.670.961.141.191.151.021.160.921.011.141.191.120.991.171.171.111.131.060.991.051.110.990.990.971.001.001.110.991.010.951.011.081.020.900.911.021.090.910.920.990.960.900.840.800.880.870.840.790.840.820.800.910.770.830.800.830.770.800.840.820.790.711.310.942.911.760.910.820.580.501.171.140.830.780.780.74
D-Sedoheptulose 7-phosphateME1369551.110.991.211.030.690.960.801.141.120.931.100.981.010.920.930.870.790.890.620.951.020.990.651.081.040.971.111.031.070.951.171.251.000.960.900.940.851.031.070.931.110.160.950.980.970.970.990.970.880.961.050.950.990.191.001.020.890.911.010.971.001.031.051.021.151.080.280.930.850.930.980.861.030.951.060.931.060.980.901.041.010.960.830.230.920.920.871.030.991.041.011.100.730.810.800.750.680.840.980.911.000.943.521.311.541.351.130.651.061.291.141.001.080.921.071.041.10
L-beta-aspartyl-L-alanineME1369760.911.051.010.690.851.041.220.780.791.030.980.800.870.780.810.820.890.950.800.840.830.870.781.101.080.621.431.201.360.721.271.281.001.270.861.070.660.931.071.061.210.800.871.251.091.050.991.070.561.150.660.531.180.531.051.111.030.960.980.800.981.231.010.990.810.940.911.011.041.060.990.990.980.900.980.960.990.960.950.930.920.991.110.830.931.001.030.990.971.051.031.070.910.901.020.960.901.061.000.991.000.933.331.420.900.760.721.190.981.591.191.060.920.921.000.931.00
[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoserineME1370861.280.860.920.700.891.180.851.191.491.140.811.081.031.511.161.410.991.201.381.300.991.040.580.890.810.680.810.770.830.920.850.780.830.820.670.840.590.700.910.670.780.590.920.790.930.950.790.900.780.770.980.820.920.870.830.800.710.820.860.780.720.710.870.960.940.900.970.790.760.860.800.971.020.981.080.821.030.990.801.020.860.920.740.730.690.830.820.830.830.830.740.850.680.760.750.720.780.830.740.910.870.840.782.161.371.742.820.911.020.690.820.760.830.880.830.731.00
[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserineME1370771.130.820.860.690.791.200.751.331.330.970.891.141.101.291.191.450.941.001.341.251.171.030.660.921.000.670.700.800.810.940.780.620.750.780.670.890.570.410.860.660.720.840.850.880.720.880.860.740.840.680.760.810.661.030.790.800.710.700.940.860.710.731.031.101.131.091.230.831.011.070.990.871.171.051.000.811.170.990.831.140.971.070.610.770.780.820.880.760.830.920.690.940.780.860.720.760.910.860.840.780.880.930.722.081.191.752.630.880.890.800.770.660.840.951.060.840.82
sn-glycerol-1-phosphateME1371081.000.700.940.920.831.090.910.961.060.840.880.771.041.320.851.530.730.811.051.330.870.880.870.960.950.821.010.860.961.001.010.930.971.000.790.820.730.820.870.770.950.910.690.740.740.810.700.760.720.740.880.880.800.840.740.840.910.760.750.820.820.800.890.950.950.910.920.890.860.890.890.910.870.850.960.850.870.850.870.960.990.931.151.431.080.880.820.881.061.010.980.890.980.880.880.810.911.061.071.131.070.890.721.622.002.462.510.680.831.641.320.820.910.860.900.900.93
sn-Glycerol 3-phosphateME1369201.050.680.750.810.801.220.930.971.090.900.870.760.991.430.861.890.740.801.211.530.860.870.850.790.840.830.970.860.870.960.920.870.790.900.690.710.670.760.810.790.771.170.670.760.710.680.670.730.730.780.930.960.771.460.770.841.070.690.800.850.790.790.910.911.010.861.320.730.870.960.810.830.990.940.930.850.940.880.911.060.930.960.871.110.830.830.860.900.830.820.850.880.810.750.770.730.750.850.840.890.870.800.771.922.232.372.970.720.881.441.150.881.040.880.940.820.96
N-AcetylanthranilateME1371151.080.840.861.000.861.061.000.951.410.870.880.811.031.020.841.300.860.800.981.080.790.790.771.000.870.950.980.940.850.740.950.910.840.890.910.720.780.920.830.870.880.780.820.850.851.020.791.031.021.000.990.920.931.030.861.130.911.070.900.850.920.870.840.870.950.830.850.770.750.930.790.970.920.950.860.891.000.980.811.050.830.800.820.810.880.920.920.900.960.940.921.010.910.850.820.690.770.950.900.820.870.860.921.703.243.301.130.840.901.121.110.980.970.820.940.820.91
octulose 8-phosphateME1371170.930.720.870.890.870.970.800.941.000.950.880.820.941.030.840.930.890.910.930.900.900.920.690.990.890.851.000.910.960.920.960.900.740.880.700.730.670.830.850.760.910.900.720.800.830.900.760.760.810.830.970.920.870.960.830.910.830.770.800.860.790.860.890.931.130.911.130.800.780.970.860.920.901.001.030.890.870.900.891.050.990.860.730.910.870.830.850.910.910.910.850.930.720.780.750.710.750.890.870.810.890.831.041.962.892.632.330.850.841.131.000.790.800.860.890.890.92
LPA(0:0/16:0)ME1370990.940.701.030.881.071.051.081.201.360.960.931.101.041.131.032.341.041.131.361.581.141.050.841.170.830.991.061.051.040.981.071.020.810.870.820.670.941.000.761.190.971.150.670.600.560.620.640.630.750.810.970.790.720.730.730.740.990.700.750.730.841.020.760.810.980.750.990.770.920.730.760.960.670.911.010.920.900.921.000.890.910.940.940.770.930.751.040.820.860.890.850.760.930.720.780.830.790.811.020.690.790.810.971.451.921.991.681.100.881.541.981.091.471.151.211.381.17
LPA(0:0/18:0)ME1370980.960.740.700.900.951.020.971.341.090.740.950.891.141.010.942.271.031.071.391.581.190.950.640.770.610.850.850.790.710.930.810.810.650.810.790.790.720.780.780.890.800.870.640.550.700.590.530.670.610.740.810.630.690.690.730.720.900.540.630.610.830.810.920.781.040.751.050.941.060.760.901.120.640.890.931.090.930.921.021.261.030.911.190.841.331.051.281.021.061.091.220.941.230.950.560.980.961.151.581.091.120.810.991.401.941.941.751.500.901.341.531.151.321.241.041.441.82
D-myo-Inositol 1,2-cyclic phosphateME1371160.950.990.970.930.911.090.840.950.900.990.900.750.961.360.871.920.840.981.191.820.920.970.850.950.980.811.130.860.860.980.891.030.920.950.860.900.750.810.920.850.960.720.911.101.171.160.981.020.931.031.021.181.180.930.991.210.950.980.981.040.981.080.931.050.881.000.900.890.850.850.870.961.020.980.960.880.970.980.800.890.940.900.930.770.820.850.900.550.900.900.650.900.810.850.770.790.790.910.840.920.880.810.841.313.071.040.951.070.911.020.970.921.070.870.910.920.92
PantothenateME1369391.140.980.990.771.161.080.730.981.081.110.890.760.931.520.951.560.870.971.161.340.940.880.860.820.920.741.180.730.800.960.840.950.860.990.760.890.510.930.950.730.940.910.800.870.851.030.850.940.800.900.940.990.910.970.981.040.900.960.860.900.870.901.010.981.030.911.280.790.920.920.911.161.281.201.131.041.261.030.981.250.950.890.881.000.840.960.950.970.910.900.960.940.890.780.790.730.721.151.040.970.890.940.671.381.931.381.791.010.850.740.631.091.231.051.041.131.14
3-EthylmalateME1370251.080.611.161.200.800.900.771.451.411.040.960.851.041.080.911.210.930.960.942.020.981.011.141.250.941.221.091.091.151.061.181.071.441.171.010.901.120.990.921.000.991.000.680.660.750.640.520.680.860.810.920.800.670.780.810.800.900.680.720.740.690.831.051.200.591.070.630.930.810.620.611.071.161.121.060.651.151.040.991.210.540.980.730.780.820.950.961.151.021.080.931.080.680.960.990.750.650.960.850.940.880.950.981.501.811.611.861.021.001.801.470.780.720.850.921.310.60
3-SulfolactateME1369711.200.591.041.090.961.070.851.401.471.270.931.060.991.100.971.170.930.961.060.990.880.960.921.461.301.211.271.391.621.101.261.331.141.290.771.110.770.991.080.791.171.150.600.780.820.930.760.740.820.811.141.030.801.020.800.910.770.610.780.840.770.870.750.861.090.811.050.730.690.910.810.910.850.941.000.840.770.850.870.931.100.960.750.871.010.820.870.820.830.770.910.900.700.760.760.730.720.880.890.850.900.820.941.272.701.251.720.970.832.021.490.910.660.871.081.120.98
2-AcetolactateME1370210.990.751.190.990.980.930.891.101.000.890.951.191.001.210.861.500.920.871.001.230.910.910.961.441.051.291.131.051.401.161.141.051.271.110.850.960.760.950.990.851.060.940.610.690.810.800.670.720.860.810.960.730.710.900.720.860.830.690.710.780.780.951.091.161.341.081.280.870.831.210.941.071.161.121.041.051.090.980.911.191.121.040.780.870.950.890.861.000.990.940.990.940.690.960.910.740.810.920.870.820.950.880.881.471.311.071.360.940.991.381.600.980.730.830.931.121.10
3-OxopropanoateME1370200.960.701.011.080.911.040.841.151.120.960.971.001.021.480.971.780.930.951.241.451.051.000.901.191.001.151.091.061.191.061.041.161.381.130.870.860.810.860.960.921.000.850.670.700.710.790.690.680.780.840.910.820.770.710.750.740.780.660.670.740.700.801.021.101.501.061.350.850.871.370.850.961.221.391.241.071.050.950.961.421.230.940.720.770.910.830.900.920.950.880.870.840.700.950.760.740.730.810.860.820.880.790.821.381.471.791.820.870.921.541.250.780.680.810.831.061.12
D-Mannitol 1-phosphateME1370261.030.580.940.990.941.130.730.991.010.980.910.791.001.840.941.150.830.890.971.020.940.910.801.110.961.011.171.001.171.081.141.030.911.050.770.780.700.900.950.821.011.070.580.700.700.840.660.690.690.751.020.900.721.030.750.870.810.630.760.760.740.860.900.961.100.981.260.770.771.020.880.920.981.070.960.900.930.910.851.031.010.930.791.000.870.850.860.880.920.860.910.940.710.810.730.720.750.890.900.860.890.840.851.731.761.642.510.880.851.661.280.800.740.871.000.900.96
D-Mannose 6-phosphateME1370271.030.561.000.990.931.150.741.091.090.990.910.820.971.980.921.200.840.860.971.050.920.860.811.141.001.041.221.011.201.081.161.020.911.080.770.810.680.920.950.811.021.100.560.690.670.810.640.660.690.741.030.860.710.980.730.840.810.610.730.770.720.860.870.911.140.931.280.730.771.040.870.900.911.001.040.890.930.920.861.041.000.940.770.980.890.810.860.880.880.900.900.930.690.810.750.720.750.860.900.840.870.830.851.661.901.802.620.900.901.701.370.760.730.830.990.950.92
melibionateME1371131.340.781.181.050.961.071.061.111.191.090.990.661.061.360.851.060.820.970.941.010.840.810.941.221.011.101.381.051.161.091.181.120.931.130.850.950.780.901.100.830.991.120.670.860.811.040.700.780.730.881.050.930.820.960.750.880.850.750.820.840.860.970.861.011.241.031.060.840.941.030.920.980.921.081.130.910.911.030.971.061.000.980.810.990.920.920.950.841.051.041.020.940.840.910.870.830.700.951.000.830.880.790.891.081.911.471.930.920.941.821.280.870.820.790.940.711.06
nonulose 9-phosphateME1371110.980.621.021.020.890.990.821.191.171.011.000.861.121.290.941.300.960.861.091.070.990.960.821.240.971.141.141.071.171.081.161.000.910.980.800.890.760.890.970.940.991.100.630.650.670.790.720.740.820.761.050.840.710.910.770.850.730.730.760.750.780.900.890.911.200.931.290.800.731.030.830.910.900.971.050.880.880.950.941.061.101.020.791.030.870.820.890.981.020.880.950.950.740.880.830.800.790.940.980.840.930.880.931.531.911.821.700.880.981.571.280.800.750.820.890.881.04
UDP-N-acetyl-D-glucosamineME1369611.090.681.111.070.941.050.770.991.121.090.970.831.061.350.941.030.830.891.010.930.981.040.881.161.081.151.281.061.081.181.160.990.971.050.941.020.811.020.970.921.141.090.660.770.660.900.710.760.910.741.070.960.751.030.930.910.850.820.780.940.770.890.910.981.091.041.290.850.791.050.961.111.011.031.050.890.960.870.831.071.040.960.800.900.900.880.851.011.030.920.940.970.720.770.850.820.770.950.890.880.910.960.861.511.351.321.340.850.891.581.240.840.830.891.040.891.00
2(alpha-D-Mannosyl)-D-glycerateME1369701.180.700.840.861.021.100.881.301.391.240.970.771.051.240.971.030.880.930.961.101.000.920.740.900.930.901.040.940.961.021.000.930.870.990.800.780.640.870.850.880.951.020.630.700.710.840.710.680.790.781.020.910.751.030.770.910.870.700.840.870.830.911.111.111.201.041.450.960.911.110.901.011.191.171.120.991.121.170.991.301.071.040.990.950.910.930.950.950.880.961.040.970.820.790.780.700.770.981.080.910.960.900.891.302.051.191.581.040.951.941.591.051.061.111.391.091.24
D-TagaturonateME1370291.180.590.991.001.061.090.801.371.311.170.950.791.121.240.971.340.900.881.011.300.950.900.861.110.980.991.241.061.051.111.281.031.031.010.730.690.700.830.930.950.951.070.570.640.710.820.640.660.700.781.020.930.691.020.740.880.860.640.700.810.740.840.971.041.341.141.410.940.901.211.001.041.181.201.221.071.051.120.991.311.201.120.820.910.910.900.930.970.940.930.960.900.700.850.730.690.730.990.970.840.910.800.951.282.261.301.781.060.952.361.830.990.911.051.291.031.17
L-beta-aspartyl-L-asparticacidME1369771.130.560.960.920.971.080.781.341.331.290.970.791.121.021.070.890.961.010.960.970.981.020.771.321.150.961.211.041.231.071.171.141.001.210.660.880.530.900.990.801.211.000.570.740.770.830.680.670.690.790.950.820.730.950.760.880.750.690.760.670.730.880.841.041.201.001.360.860.741.350.880.970.961.051.190.930.870.930.961.350.940.950.781.070.930.840.880.930.850.850.820.930.630.780.720.700.650.860.810.730.830.850.771.502.531.571.440.960.861.791.520.750.680.841.100.811.04
L-beta-aspartyl-L-glutamicacidME1369781.220.620.980.911.041.050.851.191.181.161.000.881.131.141.130.991.051.061.051.070.991.090.851.221.091.061.211.041.161.031.131.111.011.190.600.920.700.810.920.831.080.910.650.750.770.960.730.770.710.810.900.830.780.860.830.830.800.640.820.800.810.890.881.051.181.091.211.040.931.351.011.111.011.201.150.991.071.191.091.311.111.270.830.880.870.800.801.010.930.840.880.880.720.840.820.730.750.770.870.800.830.880.821.292.051.551.441.021.011.491.320.770.791.131.180.830.90
(R)-2-HydroxystearateME1371201.110.821.130.881.021.200.981.231.751.250.900.930.911.360.991.980.960.911.401.480.921.291.050.940.880.861.030.850.910.960.920.831.020.900.831.070.920.970.940.911.091.070.680.880.930.620.790.730.610.740.760.920.860.880.880.900.690.820.710.800.730.811.010.971.000.961.040.750.900.880.820.941.110.940.981.100.971.040.971.051.061.011.011.310.990.871.050.991.030.820.970.890.930.981.090.961.001.100.930.990.940.941.101.411.431.591.500.890.900.991.030.610.831.250.881.060.96
L-ArabinoseME1370281.080.850.840.850.941.180.921.291.371.080.950.920.981.580.951.820.900.991.391.401.060.970.730.880.960.910.891.001.091.020.990.940.870.870.870.820.810.950.870.920.950.940.740.790.770.940.770.790.820.811.050.940.680.860.790.870.930.810.820.820.890.901.111.100.991.061.200.970.941.150.800.941.171.161.131.061.091.181.011.151.131.050.931.020.920.920.990.990.890.950.981.000.860.930.990.890.921.040.990.910.970.890.971.241.431.191.680.980.841.121.140.991.021.221.171.131.10
(R)-3-Hydroxy-3-methyl-2-oxopentanoateME1370381.000.711.051.000.941.090.791.261.200.930.971.061.011.461.061.920.931.091.211.731.040.950.901.171.021.071.020.971.160.981.061.041.190.910.950.841.020.910.850.980.960.980.770.860.850.820.840.730.910.800.950.840.770.820.880.810.860.770.820.820.800.880.860.941.130.961.060.920.891.020.880.960.770.971.080.970.870.890.931.080.970.990.941.041.071.041.051.161.041.061.060.960.911.070.870.970.860.961.061.021.000.990.951.091.181.451.871.000.961.331.140.950.800.970.901.121.12
5-OxoprolineME1370370.950.681.051.270.941.190.991.291.380.901.000.961.171.491.042.561.041.031.541.671.111.010.971.121.251.281.071.261.151.121.381.151.041.101.030.911.151.131.151.111.050.930.620.640.620.720.590.630.750.700.840.710.700.670.720.780.950.670.760.780.760.840.961.001.231.071.150.880.951.150.950.941.001.141.190.990.971.031.011.211.071.040.920.931.040.810.981.000.940.920.980.970.800.830.780.780.811.001.060.861.030.870.861.061.321.651.650.860.881.491.470.780.801.001.090.820.91
4-Methyl-2-oxopentanoateME1369650.740.881.101.050.951.040.851.121.000.721.061.051.271.021.001.911.031.051.251.471.201.171.071.041.121.101.181.110.981.021.131.050.971.061.010.940.981.061.010.990.971.000.860.780.840.770.760.860.840.880.940.830.810.870.870.850.920.820.800.860.850.920.981.151.331.091.111.031.020.920.931.051.021.101.001.121.171.031.131.101.141.051.000.981.201.071.041.141.131.091.171.091.021.050.971.010.991.141.291.091.151.150.990.970.830.980.920.760.881.091.130.901.051.011.131.241.25
CholateME1369470.890.771.061.050.811.080.811.101.160.901.060.851.011.440.872.380.881.051.261.560.991.030.861.150.941.101.091.051.040.931.141.031.031.041.031.040.861.151.001.081.000.590.720.730.630.890.680.790.780.770.920.710.760.530.900.790.870.830.750.760.930.950.971.071.181.090.690.960.950.971.081.030.981.051.021.061.091.011.101.281.081.040.990.611.010.951.161.021.231.001.141.020.870.920.940.911.001.051.371.001.130.960.900.991.121.071.320.790.891.381.140.910.941.101.081.441.25
L-ProlineME1369360.980.831.091.040.861.220.941.181.140.881.010.891.151.321.002.341.041.041.391.631.081.011.031.101.101.031.061.131.040.961.091.041.011.060.960.961.031.021.031.021.010.890.840.830.820.860.830.870.760.840.890.750.850.800.900.931.060.780.880.840.890.921.051.011.071.100.981.001.011.051.030.921.051.001.051.051.011.101.061.061.051.010.990.841.030.940.990.970.970.991.061.030.870.930.840.860.860.951.010.981.010.930.911.081.181.411.330.790.931.421.340.981.010.951.011.101.17
[FA (14:0/2:0)] Tetradecanedioic acidME1369900.840.990.960.851.031.200.980.920.750.891.030.951.261.521.351.921.281.161.531.671.261.311.040.830.920.871.130.790.930.861.000.950.830.970.820.700.861.060.930.860.891.040.971.090.921.100.830.950.930.971.010.991.021.120.860.920.901.040.860.991.070.810.981.040.971.021.160.991.001.061.091.111.001.060.790.971.091.171.041.011.091.060.910.910.860.891.010.921.010.901.000.920.880.870.720.840.810.960.980.960.880.981.071.151.021.131.490.730.621.070.980.881.021.081.100.971.05
SuccinateME1369581.010.801.081.000.831.231.061.101.120.860.951.211.271.311.261.671.551.631.121.411.181.151.101.161.090.991.061.131.170.760.931.130.981.041.011.011.050.961.170.961.091.010.810.960.960.790.750.800.680.920.740.520.970.890.870.771.080.760.830.840.891.060.890.940.960.931.070.860.881.050.920.810.920.880.950.990.880.910.841.280.880.910.921.000.980.970.891.280.920.900.860.930.821.040.890.850.830.860.930.900.850.900.711.190.991.141.400.841.211.291.050.891.050.970.970.970.94
phosphinomethylisomalateME1371101.060.821.071.010.951.050.881.271.290.940.951.081.081.190.971.270.960.971.031.440.910.931.030.930.960.941.050.870.890.961.000.991.101.061.040.960.870.911.040.980.960.820.740.880.871.000.840.931.020.880.960.981.000.860.991.001.090.900.880.970.920.910.961.030.970.930.891.020.960.890.980.971.030.980.911.011.031.050.951.010.970.950.870.830.890.890.980.980.891.040.921.000.880.850.870.870.850.930.901.030.950.861.761.081.771.441.250.940.951.031.210.891.010.840.871.001.03
(S)-MalateME1369301.130.731.120.841.021.130.981.071.131.120.980.851.101.090.961.070.950.961.081.010.971.091.091.271.121.051.421.251.160.951.091.021.091.460.921.060.971.051.231.111.181.270.760.910.700.820.760.780.680.990.800.650.811.060.830.921.130.830.870.850.860.830.990.971.081.001.271.000.991.181.000.981.171.000.760.930.980.931.051.001.071.050.991.261.111.001.110.961.041.011.021.041.030.950.740.930.981.101.041.091.010.931.540.941.511.441.291.060.981.301.301.010.991.011.031.000.99
(2S)-2-Isopropyl-3-oxosuccinateME1370340.960.761.040.991.000.930.710.850.930.691.010.880.981.191.121.281.061.241.201.351.260.910.861.001.061.221.060.950.951.061.020.991.101.091.001.101.051.160.920.961.060.890.810.810.750.860.840.860.860.770.960.770.830.760.880.820.900.760.900.670.970.871.021.101.100.951.151.091.081.251.251.041.341.081.021.161.401.171.371.390.951.160.590.941.011.060.970.860.771.170.841.030.920.880.970.951.160.900.860.820.931.090.921.141.011.541.560.770.961.141.110.810.710.991.061.181.15
3-sulfopropanoateME1369990.930.700.860.831.030.970.801.271.221.011.031.341.071.091.081.001.051.061.091.050.981.060.910.670.871.190.961.470.960.981.150.860.900.840.881.010.870.831.010.840.950.800.890.800.830.770.820.880.800.810.850.870.760.650.750.760.780.730.720.810.790.841.081.060.980.991.101.060.951.071.101.071.071.141.061.081.071.031.041.011.000.961.051.121.141.111.151.081.061.081.051.091.091.161.131.111.051.151.081.080.991.080.771.181.681.171.780.840.871.421.030.810.921.081.181.031.11
4-HydroxyphenylacetylglycineME1369670.990.610.860.861.020.980.930.970.971.060.951.061.081.351.001.491.000.941.321.110.950.930.790.891.021.050.881.031.131.051.161.100.761.040.800.790.780.860.820.921.020.990.610.700.680.700.710.590.810.810.920.780.690.940.740.740.770.630.760.790.810.841.081.261.051.031.320.820.781.151.211.071.141.021.070.991.200.980.761.421.151.141.101.140.891.050.981.051.061.081.001.150.770.920.810.820.801.080.920.981.130.960.721.301.781.671.780.890.880.941.000.860.920.961.120.900.91
GMPME1369191.021.261.170.750.491.681.020.981.020.950.920.791.030.870.911.181.051.280.830.950.880.890.531.271.110.860.990.931.130.800.891.211.051.250.941.030.840.861.010.720.780.241.021.181.521.141.231.100.770.920.840.531.890.311.381.201.120.911.060.900.991.330.760.760.940.920.600.820.770.960.870.681.050.800.810.840.751.050.850.790.930.900.590.600.880.950.880.941.010.901.010.970.890.860.920.880.390.911.060.840.950.960.461.781.221.121.240.830.871.090.960.891.130.921.121.021.21
PE(12:0/18:4(6Z,9Z,12Z,15Z))ME1370851.181.391.030.911.260.841.230.951.031.190.931.170.951.050.900.500.911.090.821.020.980.930.930.850.980.801.030.920.790.850.730.941.031.261.080.950.771.211.091.060.941.131.611.331.011.290.991.181.081.301.011.011.371.091.261.071.041.381.161.101.391.001.331.491.001.131.071.351.311.031.431.191.591.191.081.281.201.101.291.211.311.180.980.900.710.780.800.760.670.840.680.830.890.660.901.020.870.840.810.950.690.731.160.600.920.550.641.441.060.510.760.980.981.361.280.620.58
1-thio-β-D-glucoseME1369961.101.221.190.990.650.920.651.071.090.811.070.891.081.390.921.010.620.620.511.061.070.990.801.071.240.931.041.051.050.991.180.941.041.090.960.970.831.061.200.951.010.721.121.111.111.381.251.231.131.081.091.171.130.941.271.251.061.051.201.301.211.091.271.211.051.250.421.001.120.941.120.801.231.121.120.791.300.860.761.050.881.110.700.421.020.931.050.981.000.911.011.131.060.810.960.930.720.990.980.821.091.010.361.090.960.440.540.681.021.111.071.201.211.051.360.881.01
D-4^-PhosphopantothenateME1370081.060.851.100.830.510.990.761.031.080.931.070.921.081.960.881.680.710.670.751.321.020.980.571.121.081.100.981.171.161.071.240.911.080.990.900.970.971.081.131.011.220.480.790.840.831.021.080.890.920.841.110.680.820.551.071.090.980.970.971.051.020.851.071.171.201.030.370.970.970.940.980.931.111.101.050.891.180.810.741.101.001.130.900.330.941.000.980.990.901.090.981.120.930.910.880.860.681.031.040.960.970.950.391.380.790.961.560.581.021.651.461.171.000.891.201.011.04
(S)-LactateME1369560.870.941.211.280.791.160.851.181.110.731.101.001.161.400.971.910.870.911.021.511.061.020.991.271.231.191.231.261.131.111.331.131.171.181.081.041.141.101.171.121.100.410.920.900.870.960.840.950.840.910.980.820.870.380.940.971.070.790.930.980.910.921.261.221.221.290.411.181.191.021.070.981.211.161.211.051.221.141.111.231.181.180.930.341.101.001.051.121.111.091.091.130.830.950.850.900.821.021.171.001.131.080.570.910.780.960.950.570.921.361.330.900.921.011.100.841.00
2-BenzothiazolesulfonamideME1369980.651.210.811.161.030.890.541.030.700.821.040.820.710.910.670.760.850.670.751.050.950.871.040.851.060.961.301.031.111.261.121.570.860.951.180.880.560.940.800.830.870.911.191.231.221.331.071.020.931.151.101.330.960.980.981.050.710.781.040.961.020.851.221.221.201.101.331.071.151.110.941.161.081.211.111.201.311.321.071.351.041.170.850.930.940.750.960.870.940.980.970.970.690.510.540.680.720.940.960.901.090.940.741.161.07NA1.180.920.640.731.361.021.181.311.380.861.01
Cer(d18:2/23:0)ME1370511.110.910.941.251.110.971.261.190.701.040.991.051.151.180.991.011.291.111.201.051.221.131.080.740.911.281.031.250.790.851.080.970.730.871.030.871.060.960.590.961.031.170.940.760.760.900.710.990.830.850.860.531.030.881.010.770.940.870.910.900.970.980.980.830.831.020.980.860.930.860.890.930.790.870.880.930.931.090.840.860.991.001.071.181.351.131.171.281.421.331.350.861.050.941.201.391.320.971.291.171.231.101.150.911.051.430.821.141.170.901.300.850.750.750.821.030.96
Diethyl 2-methyl-3-oxosuccinateME1371030.570.891.031.261.001.020.780.740.730.741.080.760.820.800.931.030.870.920.990.910.840.860.981.430.941.481.251.350.931.101.111.111.021.041.181.171.301.141.191.221.331.000.860.920.700.950.800.940.740.800.810.750.790.880.880.810.840.770.730.800.830.950.961.351.491.251.151.221.031.221.131.031.060.961.161.351.461.000.931.191.051.111.110.991.161.201.051.081.200.950.980.991.101.151.051.251.121.261.121.090.981.130.881.000.640.820.940.750.761.241.430.860.721.131.211.260.97
PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)ME1369871.181.061.101.211.181.041.331.191.121.151.120.970.960.921.100.801.101.060.761.041.030.991.281.180.681.311.221.291.040.621.180.701.020.951.290.851.200.851.201.221.141.300.900.800.910.970.900.960.960.870.790.590.950.841.060.990.930.900.950.990.950.941.060.891.121.120.990.991.190.801.261.170.920.610.991.080.971.101.280.991.151.101.130.951.141.020.781.161.181.120.900.681.050.591.091.101.191.061.161.171.121.101.210.731.160.980.881.151.221.091.400.750.910.591.121.051.11
PE(18:0/P-18:1(11Z))ME1370740.731.001.051.411.081.061.221.170.951.041.110.941.150.881.100.751.121.131.141.011.211.161.251.331.111.331.331.231.071.061.231.191.140.931.310.971.281.021.401.151.021.270.740.840.880.870.800.940.900.830.830.720.890.950.950.910.830.770.821.050.891.020.990.971.141.151.091.021.000.911.061.110.911.070.951.000.921.051.091.061.061.100.900.980.990.970.971.021.061.131.050.770.851.000.940.951.000.950.961.010.971.041.100.740.941.131.021.051.151.061.240.840.770.850.990.850.78
PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))ME1370690.950.811.321.161.030.980.981.050.990.921.050.911.110.941.140.841.071.101.031.041.021.101.311.351.241.371.211.151.221.191.371.231.231.491.271.281.291.381.221.401.171.250.890.880.860.890.840.920.920.840.810.800.910.820.920.900.790.851.091.000.950.930.980.871.011.031.000.961.070.871.121.070.900.901.031.020.921.021.100.981.040.991.040.861.011.041.041.211.081.151.040.991.010.800.930.731.060.961.040.980.990.900.940.780.930.970.900.961.021.171.510.890.621.071.190.910.96
[SP (18:0)] N-(octadecanoyl)-sphing-4-enineME1369810.930.731.141.411.160.901.150.890.790.890.980.781.080.900.810.850.940.870.740.911.130.931.291.271.031.381.181.320.891.061.411.041.011.041.300.681.281.171.251.261.081.220.780.700.690.770.650.780.700.760.720.680.880.780.900.820.790.800.850.840.740.851.231.271.011.201.191.091.131.061.131.281.391.211.081.081.351.461.181.101.071.191.060.910.980.971.100.941.151.101.140.820.840.990.951.121.030.981.070.951.111.001.100.880.891.140.700.970.961.071.340.660.830.911.031.160.98
[SP (18:0)] N-(octadecanoyl)-sphinganineME1370490.890.961.131.271.050.821.040.790.780.830.991.001.190.990.921.010.831.000.981.071.080.931.131.371.201.571.141.091.241.211.171.061.141.211.310.921.391.091.211.071.011.101.000.970.911.020.780.930.820.920.900.860.910.921.100.970.880.810.921.200.851.010.981.060.940.930.980.970.900.821.031.021.071.040.820.831.031.200.941.131.040.971.121.021.161.031.161.131.051.171.150.810.860.931.101.141.101.141.151.151.021.071.100.770.681.150.641.100.930.741.430.761.020.930.910.911.04
[SP (20:0)] N-(eicosanoyl)-sphing-4-enineME1370500.950.921.131.141.030.880.960.780.760.810.990.891.091.140.940.831.161.141.181.211.231.061.051.081.181.341.161.051.090.991.230.860.940.921.210.931.161.011.261.241.011.350.980.900.880.800.740.830.770.890.790.720.910.960.990.780.880.840.960.980.940.901.151.150.761.100.961.190.921.051.001.101.180.950.971.080.931.461.080.981.101.021.051.211.161.301.101.101.191.221.020.930.951.011.231.351.251.051.131.001.171.050.870.740.741.390.590.830.940.801.380.830.940.850.851.091.23
[FA dioxo(12:0)] 9,12-dioxo-dodecanoic acidME1369890.770.941.051.070.901.001.140.730.560.621.021.011.070.901.000.951.100.890.971.011.001.021.150.901.121.081.111.040.881.101.190.950.891.181.181.270.831.241.231.240.940.781.021.320.931.020.940.891.021.371.010.891.050.991.170.981.100.951.040.971.101.071.720.920.711.311.280.780.781.021.061.051.021.120.930.991.310.801.001.161.141.380.820.910.631.230.930.970.940.860.841.330.890.741.230.731.561.041.021.180.821.300.860.960.700.700.941.030.860.981.020.811.291.280.910.891.07
[FA (13:0)] tridecanoic acidME1370900.831.101.021.130.951.280.760.740.880.801.080.741.001.131.151.440.930.961.391.371.150.911.060.941.251.361.141.240.991.041.441.201.170.871.111.031.071.211.240.981.031.311.141.010.951.181.270.920.911.161.041.201.021.131.081.101.020.910.931.041.031.151.201.121.211.451.411.240.990.940.970.901.001.040.951.010.890.870.760.940.940.950.890.900.930.760.760.810.930.780.870.940.810.720.690.760.710.700.820.780.770.700.811.080.640.640.740.720.871.171.030.931.261.360.961.080.82
[PS (18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserineME1370531.271.131.120.760.591.060.731.201.260.841.021.061.010.740.931.120.660.750.871.170.990.971.191.091.010.940.840.971.121.211.060.911.021.080.921.170.830.591.230.921.051.531.111.011.011.311.121.101.071.011.140.941.001.901.101.090.860.921.121.051.070.870.861.000.991.021.380.880.961.070.960.951.060.821.060.701.150.750.771.050.891.060.570.970.860.850.820.800.931.070.821.020.900.890.900.871.080.910.780.840.990.900.601.230.980.861.240.741.060.990.971.021.011.000.980.790.96
N-Hydroxy-L-tyrosineME1371001.151.091.261.061.030.861.400.670.681.100.961.200.860.560.800.571.070.940.790.800.760.820.980.961.020.801.030.940.931.161.030.991.001.081.080.961.031.021.141.201.001.041.181.111.071.261.181.231.161.041.021.231.211.391.281.001.271.141.161.121.310.920.951.060.610.880.731.041.070.831.081.061.090.760.730.991.101.140.890.950.730.891.040.980.961.070.901.070.900.901.011.041.020.910.900.930.950.991.030.940.890.961.011.160.860.381.171.030.981.010.601.681.501.101.230.751.06
Monomethyl sulfateME1371120.791.391.131.130.900.911.100.650.890.920.920.760.840.800.820.770.910.960.810.950.881.001.030.750.990.850.840.840.810.950.840.871.130.970.941.041.121.081.061.020.990.911.161.201.041.301.201.231.211.100.851.301.031.001.201.041.081.081.361.391.391.041.031.040.590.930.731.131.020.740.881.041.110.870.540.801.141.100.880.810.690.980.980.770.770.900.840.920.780.720.920.951.010.600.720.820.930.880.840.790.980.900.671.861.990.941.001.040.980.610.660.880.980.981.110.540.61
3-Amino-3-(4-hydroxyphenyl)propanoateME1370330.921.091.070.910.820.931.010.660.351.050.830.830.871.020.770.770.930.870.840.760.880.760.860.850.910.790.910.730.880.900.700.810.761.090.800.930.851.000.860.790.910.860.991.070.960.920.821.081.021.191.031.301.251.200.981.120.900.801.091.151.091.191.021.280.781.050.850.970.980.981.051.141.250.850.890.851.111.330.961.040.931.100.900.860.810.760.830.900.770.880.930.960.740.660.940.830.850.730.790.920.840.800.932.371.331.571.380.840.820.840.690.941.271.021.060.840.89
AnthranilateME1370430.521.060.930.960.891.000.990.810.850.930.940.790.930.880.780.790.940.950.840.920.910.890.920.860.880.861.080.790.951.041.010.990.801.010.870.980.881.121.060.880.970.860.951.160.991.121.041.050.960.941.001.181.081.351.221.130.951.111.171.191.080.980.641.030.861.060.990.850.780.860.691.111.040.910.860.951.081.140.920.810.880.980.700.870.770.920.900.750.840.900.900.660.910.650.830.750.900.910.990.940.750.811.082.131.331.681.230.840.860.950.921.331.350.911.050.961.07
N-D-GlucosylarylamineME1371221.241.260.940.770.940.971.000.760.831.180.880.980.800.950.770.710.820.850.890.850.830.860.780.700.780.650.950.730.740.990.800.800.860.790.960.830.770.910.840.770.870.831.091.141.191.301.241.341.151.101.001.481.061.191.061.201.121.241.041.191.281.150.810.940.650.730.920.830.690.730.710.881.200.860.820.811.020.800.850.890.750.790.910.910.901.010.890.960.790.930.981.020.990.800.910.940.930.960.800.970.991.010.891.951.601.171.311.201.030.660.651.271.360.881.031.140.91
L-Galactono-1,4-lactoneME1369620.971.160.940.910.931.160.890.951.140.940.940.731.040.970.840.800.990.990.911.650.980.970.890.860.930.860.950.830.800.940.920.941.140.980.850.900.760.900.930.820.900.891.041.161.201.281.081.141.331.111.071.201.141.231.161.171.081.191.061.131.091.070.961.020.900.941.000.960.940.930.900.990.990.901.021.020.971.040.920.930.930.950.950.880.890.950.921.170.920.980.900.950.850.821.000.870.880.930.920.930.880.880.931.351.341.911.501.120.930.910.991.131.250.770.830.931.01
D-RiboseME1369600.931.270.860.850.921.121.030.790.930.890.930.781.071.010.960.730.921.010.931.210.961.020.840.780.820.820.820.760.700.890.830.710.970.790.870.950.900.880.890.830.840.811.111.121.221.241.171.041.281.091.001.141.191.361.181.151.141.091.181.261.151.041.001.040.960.961.001.021.021.000.901.010.930.990.820.951.011.081.011.030.950.930.940.910.861.000.890.990.981.010.930.860.940.850.970.860.920.900.980.890.960.831.431.481.311.321.451.070.930.740.821.271.270.820.960.900.98
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acidME1369910.871.150.991.000.891.110.960.840.830.860.910.691.030.860.870.770.961.010.961.010.930.970.920.910.910.991.070.840.801.040.960.900.991.031.000.930.940.900.930.850.880.971.121.131.131.121.081.191.291.051.141.221.351.271.221.231.141.151.101.281.171.250.920.990.890.971.020.930.940.860.891.010.880.900.920.980.890.980.990.950.900.970.850.910.880.910.920.980.840.900.850.890.850.820.870.800.920.890.960.850.890.861.861.341.481.491.590.970.920.960.901.141.260.810.900.850.94
N-Glycolyl-D-glucosamineME1370051.020.981.031.051.011.121.011.041.020.960.970.871.070.970.900.800.950.930.941.270.920.930.951.020.990.991.000.930.861.021.010.971.080.970.990.960.910.971.040.840.990.981.061.030.981.081.041.051.180.941.061.061.111.181.281.060.980.991.001.091.011.090.971.400.940.991.051.010.880.920.970.980.990.951.000.991.311.030.981.012.031.190.680.690.770.820.700.870.750.790.710.770.690.680.930.660.670.750.910.730.740.771.031.211.221.401.251.030.970.981.060.981.080.830.870.801.63
D-GlycerateME1370190.841.130.930.850.971.150.990.820.810.860.950.780.960.880.910.890.950.870.950.950.920.920.850.830.960.970.900.950.770.900.890.880.820.910.890.880.920.900.990.900.830.611.231.091.181.121.091.100.911.040.961.061.150.881.141.121.131.141.101.131.131.201.141.111.001.030.951.071.031.051.061.071.181.100.971.221.111.151.111.041.071.082.310.750.901.010.960.920.930.900.860.900.960.810.820.850.940.920.990.900.890.900.951.471.191.121.020.680.830.800.881.081.241.061.100.860.90
PA(32:1)ME1370591.911.101.130.760.920.901.131.501.431.041.001.121.051.091.191.230.910.951.041.051.191.150.800.951.020.740.980.860.890.891.140.901.000.861.000.930.970.901.111.041.000.821.091.041.291.291.081.231.031.110.991.131.091.041.171.161.041.171.041.211.071.191.070.830.870.780.730.920.810.890.921.051.010.750.780.910.980.920.830.770.860.820.870.820.740.830.940.830.820.990.940.940.980.810.790.840.900.850.880.900.970.800.901.031.351.170.840.881.591.120.981.201.141.051.041.201.13
CDP-ethanolamineME1369531.191.011.241.031.340.800.741.051.111.091.110.961.071.201.000.910.690.670.890.901.011.020.711.121.090.991.161.071.091.021.090.771.000.950.910.950.931.061.060.991.140.431.010.890.821.211.081.010.920.971.040.970.740.541.041.090.890.991.011.081.050.791.021.081.111.040.630.980.970.991.021.021.071.151.050.791.070.720.711.101.021.040.870.591.010.960.931.031.060.981.011.050.840.890.860.800.710.971.050.921.040.991.521.251.050.900.820.711.111.261.081.201.090.961.161.111.19
PG(40:6)ME1370550.920.851.160.970.951.210.870.891.011.001.080.671.181.521.121.081.291.480.901.251.411.140.921.001.100.891.250.951.060.991.111.091.061.070.981.220.990.901.000.961.020.731.090.950.881.241.021.070.821.041.020.860.820.771.151.191.011.040.951.111.040.921.030.910.981.100.521.091.210.951.031.111.090.841.000.991.060.960.951.030.841.051.140.551.101.241.261.060.951.031.041.071.020.890.891.000.971.041.030.871.151.120.880.800.35NA0.360.840.820.981.080.901.250.971.251.181.16
PG(40:5)ME1370571.170.880.860.760.941.180.971.071.051.151.030.831.361.301.240.801.011.030.891.201.151.210.780.930.880.821.060.941.020.870.980.980.880.890.881.010.780.870.860.980.960.541.141.030.931.451.001.030.890.931.130.991.020.771.211.110.911.040.991.140.971.031.011.001.011.080.761.021.171.021.111.101.001.050.971.060.990.870.961.090.901.111.290.511.191.111.211.161.021.271.080.971.111.040.931.021.021.161.290.921.121.050.910.850.800.880.461.201.240.840.911.041.011.171.281.181.37
PG(38:5)ME1370651.100.961.160.910.931.100.980.981.151.141.060.931.081.201.000.910.921.010.941.021.111.100.981.081.101.061.251.071.131.021.181.131.041.081.021.160.900.911.010.971.130.611.180.900.951.291.051.120.851.011.070.970.910.801.181.170.921.110.921.151.051.050.920.920.901.040.690.970.950.870.970.961.000.860.840.920.900.850.830.930.920.991.240.691.101.111.261.221.041.161.061.131.000.920.900.911.011.101.100.961.051.230.810.880.860.830.641.051.001.011.060.981.040.970.991.021.17
PG(34:1)ME1369831.300.961.170.970.811.051.001.181.251.091.050.941.111.311.080.980.941.020.931.191.041.140.951.051.001.011.231.131.181.041.231.090.980.990.961.110.920.961.091.071.140.451.090.860.901.221.100.980.840.961.000.990.900.661.131.160.871.050.881.061.030.960.950.940.921.040.480.951.050.880.981.010.940.840.880.950.940.850.910.930.951.011.330.431.151.161.281.231.071.221.011.070.970.971.011.050.991.081.090.981.171.140.720.930.770.700.731.101.001.001.120.911.000.901.191.141.24
PG(36:2)ME1370611.320.981.160.900.911.021.021.181.291.131.080.981.091.331.081.000.970.990.891.111.001.100.951.081.070.971.231.071.191.001.211.121.031.051.031.200.920.881.081.051.140.461.100.920.921.261.101.090.820.970.980.930.910.641.171.210.891.070.861.091.071.000.980.960.911.050.480.971.060.840.961.010.980.820.970.960.980.900.860.980.951.091.170.411.061.101.211.161.071.130.991.091.010.950.900.960.971.021.050.911.111.100.880.900.810.690.691.081.040.981.140.971.010.901.161.011.22
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestanME1370521.190.941.090.900.931.250.901.101.000.940.990.661.031.260.941.590.950.971.141.321.130.960.750.951.030.770.970.920.840.980.900.930.940.801.000.920.730.890.840.880.900.831.040.930.981.171.020.950.870.940.861.080.940.771.011.121.180.861.100.991.160.991.071.281.121.320.981.070.941.100.980.891.251.151.290.860.941.100.911.301.101.110.991.161.051.060.960.951.061.001.041.240.860.970.960.940.931.061.040.961.100.890.870.861.030.880.901.000.921.050.940.971.011.541.530.851.10
[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-myo-inositol)ME1370601.301.051.230.930.851.130.981.070.931.140.950.711.000.960.870.920.860.830.920.960.981.010.821.201.220.941.121.170.921.200.910.911.141.221.090.990.811.291.210.840.920.951.221.011.211.211.141.330.961.080.971.201.061.061.141.201.210.971.281.171.261.020.891.521.121.220.830.930.991.051.020.951.301.071.250.801.061.000.901.120.951.070.830.820.850.980.890.910.970.860.861.050.880.820.890.970.930.830.740.901.090.850.790.870.850.790.701.111.060.971.200.850.891.301.550.640.82
L-DehydroascorbateME1370221.130.710.890.961.011.030.901.211.261.231.050.981.061.240.951.280.940.951.061.111.021.010.861.051.020.961.151.031.171.101.131.050.950.880.800.840.720.910.990.921.050.880.770.740.740.900.790.840.850.821.100.990.800.870.830.970.940.760.910.980.880.911.101.071.281.101.110.840.871.120.991.111.101.111.171.031.111.051.031.301.201.021.040.961.031.031.041.151.010.951.111.100.850.910.940.780.841.111.170.951.050.930.411.251.181.151.191.081.071.371.230.971.070.971.191.181.18
[FA oxo(16:0)] 3-oxo-hexadecanoic acidME1370951.050.960.830.881.080.990.920.931.271.021.021.040.921.020.941.290.890.891.271.190.820.910.820.980.910.900.850.990.830.710.830.910.850.830.800.850.880.941.040.861.010.980.860.830.920.870.870.890.710.840.840.930.861.010.840.910.840.910.860.870.920.851.161.101.180.941.120.920.931.011.011.091.171.051.061.021.171.011.111.131.061.021.141.020.980.970.931.070.920.810.941.030.990.880.940.880.970.920.990.930.940.991.001.531.291.181.101.061.040.790.780.851.091.071.181.171.11
PE(36:4)ME1369881.101.001.010.941.141.001.141.131.111.121.021.011.141.121.060.971.071.111.071.011.071.071.031.040.871.001.100.981.061.090.980.850.940.851.041.020.850.601.071.010.961.020.970.421.001.080.980.960.930.900.920.950.981.031.041.000.880.970.910.990.930.951.181.271.171.221.251.191.051.221.021.231.321.171.111.151.211.211.081.221.231.040.861.010.851.020.840.930.980.910.930.930.890.850.880.860.880.910.980.900.940.801.111.091.090.930.951.061.120.951.020.740.891.061.140.710.99
PIPESME1369791.180.971.010.921.051.020.960.981.181.190.960.921.000.950.930.860.860.860.900.990.840.900.900.860.870.870.920.920.950.950.940.990.860.940.880.870.830.870.890.860.980.920.970.961.061.010.970.940.940.980.971.040.991.010.941.010.980.980.970.980.980.971.261.271.101.161.351.170.781.271.081.241.461.191.091.071.341.290.951.031.110.980.900.950.890.940.920.920.920.900.891.000.900.830.950.870.810.890.910.870.881.001.031.241.250.981.131.011.020.980.991.101.041.371.350.910.89
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol)ME1370661.180.951.230.960.941.140.850.961.120.910.950.880.940.840.960.961.021.001.031.060.970.990.970.930.940.901.270.890.981.080.880.980.991.140.851.070.841.430.960.821.001.000.971.121.341.171.081.071.121.191.131.601.191.241.101.031.101.041.141.181.051.310.980.900.990.940.820.770.890.910.880.931.030.880.921.000.960.900.861.070.990.870.950.800.800.930.951.151.121.021.061.040.860.850.900.841.041.020.870.870.920.971.181.120.910.670.710.830.950.910.891.121.150.820.930.890.86
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol)ME1369820.921.061.060.860.801.250.790.910.870.871.010.701.191.001.081.010.991.071.131.040.921.150.871.030.961.001.120.921.021.110.970.880.961.150.951.120.761.170.920.700.970.671.091.261.311.331.271.231.231.001.181.391.240.991.171.211.021.151.171.261.021.100.961.100.980.940.751.030.920.910.961.031.011.091.031.001.070.961.001.160.990.990.850.710.841.000.851.111.031.010.921.031.010.860.820.900.931.030.910.851.090.940.861.140.610.650.700.600.820.830.811.060.991.011.060.981.07
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol)ME1370540.910.971.190.920.881.230.770.870.830.840.980.681.140.971.021.141.081.081.150.940.951.050.971.071.001.011.190.821.011.131.060.941.041.301.011.160.791.241.010.870.950.810.951.261.181.201.071.081.001.061.041.301.080.881.091.030.910.981.011.160.880.941.071.211.061.120.730.980.901.080.961.031.321.061.121.001.141.120.931.190.951.140.830.680.800.990.871.091.040.910.951.060.870.881.000.880.981.010.980.841.020.940.871.140.700.750.780.690.820.840.840.840.960.961.090.981.04
Deamino-NAD+ME1369461.030.751.030.971.051.110.850.970.890.961.000.711.041.070.940.850.940.961.020.990.990.940.930.981.011.041.180.900.921.131.021.080.841.090.790.800.751.081.000.851.011.090.920.930.891.040.810.941.031.041.041.081.021.170.830.990.920.810.910.981.031.051.001.121.141.111.340.810.941.120.911.181.021.090.931.070.971.061.151.161.090.950.861.211.021.071.141.031.070.960.970.960.640.880.871.000.770.991.271.211.000.830.961.270.840.800.840.960.891.051.090.951.150.600.871.130.97
P-DPDME1371231.000.931.081.081.091.111.030.981.041.080.910.840.951.000.850.780.860.850.910.860.840.881.220.950.910.931.090.910.901.050.980.990.861.050.840.900.830.930.980.860.931.540.981.100.961.071.011.010.961.031.091.131.041.921.060.981.041.050.971.060.981.040.901.000.890.951.500.870.900.970.880.990.940.920.820.901.070.930.920.970.920.921.011.310.810.941.011.010.911.010.951.040.850.780.870.730.931.050.970.920.940.961.041.231.090.990.951.121.001.021.011.061.050.860.981.020.98
PA(32:0)ME1370760.921.221.140.991.080.920.870.760.810.881.000.750.980.851.020.670.981.030.770.760.960.961.071.061.080.941.210.890.861.011.181.091.101.051.141.000.931.081.041.061.121.071.291.021.161.271.151.321.121.240.921.241.211.111.121.291.011.131.081.241.071.121.011.010.780.770.761.031.080.880.921.190.960.930.821.070.951.061.030.760.900.911.141.061.041.041.220.960.901.001.111.011.060.970.931.081.261.021.311.050.941.070.800.820.860.890.830.810.860.840.851.121.200.940.901.080.95
PI(36:2)ME1370731.231.090.980.931.030.981.011.161.131.221.080.880.970.981.000.740.920.970.930.900.980.970.831.050.950.840.940.790.960.811.011.080.841.050.890.920.820.920.990.890.880.971.171.121.161.251.061.201.101.181.151.131.131.111.101.281.041.111.071.111.191.101.090.970.900.940.990.930.940.940.991.181.070.950.941.161.020.880.981.141.020.930.890.920.991.030.981.011.060.910.961.010.900.860.860.820.950.951.211.021.020.930.940.911.090.780.771.011.080.931.011.030.961.160.951.161.20
PI(38:5)ME1370821.151.080.890.841.120.951.001.211.101.111.030.850.920.910.880.800.870.920.900.780.980.920.900.950.860.730.980.760.810.880.900.880.820.940.810.830.750.920.960.820.820.931.111.111.211.271.071.231.221.021.131.181.071.191.091.221.131.011.061.181.091.141.131.000.880.951.080.901.070.970.981.311.011.041.011.030.990.890.981.071.090.921.001.011.010.981.051.031.120.991.021.061.110.950.971.001.121.001.161.020.990.951.000.991.120.750.711.151.130.950.800.971.081.010.971.051.28
PI(38:4)ME1370831.191.030.930.961.161.041.001.191.061.271.050.821.050.981.030.781.121.040.990.951.021.060.850.960.850.810.950.780.830.801.010.960.790.920.800.770.790.920.960.820.831.011.131.091.211.191.121.231.161.131.091.201.140.971.101.191.041.080.971.121.081.130.981.000.930.981.130.930.990.900.961.300.980.970.941.041.030.881.041.001.020.840.891.000.970.981.021.001.000.931.011.030.970.840.850.821.040.901.090.960.920.881.010.911.281.071.011.031.170.910.830.891.030.971.071.171.11
PI(36:3)ME1370701.221.060.850.861.101.030.951.010.981.271.100.840.980.950.980.870.920.971.040.841.220.930.871.010.870.790.940.780.810.781.010.950.820.910.870.850.790.951.010.850.820.881.161.111.191.351.131.191.091.061.161.151.211.071.071.301.171.071.081.131.131.081.181.110.901.041.210.961.100.961.021.341.141.031.011.181.070.921.091.121.061.030.840.890.810.850.850.881.130.930.890.960.900.750.780.810.890.800.960.910.860.800.990.991.190.980.791.081.140.880.860.991.010.851.130.961.11
PI(36:4)ME1370811.211.040.910.851.130.961.071.201.051.251.060.950.960.960.940.790.930.921.000.951.120.990.820.920.890.750.890.720.800.801.060.930.760.940.790.750.770.860.970.910.790.951.141.101.171.291.051.171.161.111.041.161.171.091.071.251.021.030.981.191.081.061.111.011.001.041.171.021.091.061.021.261.101.081.031.121.031.011.041.171.031.050.840.890.890.940.860.921.010.860.950.990.860.740.890.780.990.820.981.000.920.840.991.051.161.070.920.951.190.820.780.990.981.080.981.030.98
PI(36:1)ME1370781.191.001.061.051.101.101.101.351.191.421.120.841.110.981.110.741.171.151.000.951.021.200.931.090.981.001.030.981.020.861.031.160.841.130.941.020.911.051.080.930.990.981.131.161.091.181.101.141.071.041.151.241.121.011.071.281.051.141.101.091.161.080.870.840.880.860.780.840.940.841.011.090.890.910.871.070.850.820.980.941.050.920.870.781.020.970.921.031.060.921.040.960.980.850.830.890.970.961.171.081.060.850.970.781.000.770.711.151.190.851.051.060.891.120.881.170.98
PS(34:2)ME1370841.321.061.020.921.121.031.131.171.131.261.060.850.940.781.061.001.010.921.020.881.030.911.011.030.991.060.980.800.891.011.161.140.891.041.050.990.891.001.071.000.941.251.101.081.171.141.041.171.181.111.121.421.281.240.981.171.191.020.971.021.021.050.980.990.890.841.140.880.830.940.911.131.010.940.860.921.050.941.010.940.960.860.860.980.910.900.960.930.970.960.960.920.740.730.880.881.010.871.141.010.940.861.040.891.000.860.791.031.161.121.011.090.871.011.021.030.93
PA(36:1)ME1370641.061.001.040.840.971.000.961.060.951.021.040.751.030.911.040.671.071.060.960.851.051.140.941.020.870.891.100.900.810.831.060.890.920.960.940.811.020.861.051.140.911.031.110.891.021.111.151.191.081.010.951.030.941.041.061.171.001.131.051.081.121.080.920.920.951.000.871.040.960.820.991.070.880.850.851.080.921.001.050.850.870.961.311.021.071.101.261.201.141.181.211.021.251.030.980.961.191.121.191.101.161.170.940.891.021.050.860.951.130.820.931.020.990.831.051.081.16
PA(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))ME1370801.281.190.990.881.121.140.981.080.961.111.000.771.111.001.140.661.201.130.990.950.991.141.160.920.920.891.020.980.811.201.080.990.890.950.841.020.810.890.921.131.041.091.041.031.031.270.940.940.961.120.961.120.951.131.121.000.961.030.931.021.000.951.070.950.930.901.060.991.050.881.061.090.961.000.851.161.021.121.130.850.970.911.140.990.941.101.091.010.921.000.970.861.140.830.910.941.180.941.060.941.041.110.990.821.010.930.841.161.160.920.941.001.140.921.211.171.00
PI(40:5)ME1370791.321.051.090.931.101.020.921.231.061.181.030.901.071.061.120.791.021.031.000.971.041.120.951.191.050.911.030.930.921.111.201.010.931.110.820.950.890.971.011.070.961.091.071.061.131.341.051.190.991.031.101.241.161.041.091.191.080.910.900.940.981.041.000.910.910.910.970.911.071.020.921.290.940.900.991.041.030.931.050.991.050.990.880.810.901.001.220.981.060.921.150.860.900.780.880.841.140.910.900.860.960.930.910.810.951.020.831.181.080.960.971.070.980.931.101.041.09
PS(40:8)ME1370671.071.201.210.871.030.900.950.860.921.121.040.900.900.830.910.710.920.950.830.890.980.841.011.040.900.921.100.900.820.981.240.950.981.110.930.940.960.890.901.000.911.151.131.111.261.311.231.251.121.191.151.261.091.281.111.211.071.141.101.111.071.211.111.141.010.981.110.981.060.970.981.171.171.021.021.081.091.071.090.921.131.010.991.010.820.820.991.010.940.930.871.040.940.750.930.761.060.860.960.870.990.901.050.950.810.730.481.031.031.100.861.181.150.861.081.040.96
PA(38:5)ME1369841.241.261.140.981.041.071.001.120.941.101.010.770.980.970.970.620.941.050.840.900.911.071.080.950.910.961.001.040.881.051.151.000.900.930.821.020.890.801.011.121.140.931.081.231.041.391.211.091.051.041.161.301.021.301.241.331.061.121.271.201.131.201.151.010.911.060.991.031.070.851.031.090.991.010.871.091.111.011.050.950.930.941.220.861.020.971.040.980.970.931.050.870.970.830.900.770.960.890.890.890.960.930.920.870.860.710.601.111.040.930.871.071.020.841.221.000.94
PA(34:1)ME1370621.131.241.010.810.981.070.971.031.041.031.020.761.050.791.010.661.061.040.920.911.031.100.850.930.820.831.020.900.790.831.030.830.890.960.870.870.860.790.950.960.930.931.171.101.241.391.201.221.131.081.071.071.111.191.151.221.071.131.091.221.111.151.111.090.920.930.911.001.050.921.031.200.990.990.901.001.131.021.110.890.960.901.130.960.991.001.061.141.031.041.031.011.180.931.000.901.090.981.070.921.081.030.911.011.110.820.950.911.030.900.751.141.270.931.091.161.13
PA(34:2)ME1370721.111.271.060.821.021.100.971.071.031.070.980.791.020.991.010.710.981.060.940.850.971.030.880.870.810.810.900.870.790.831.000.830.860.930.820.840.840.800.851.000.860.941.151.181.251.411.271.281.141.071.191.281.071.211.111.271.041.151.131.220.731.211.071.080.870.910.950.951.020.940.991.151.030.950.881.011.091.060.970.880.950.851.120.990.920.961.021.051.001.011.020.981.030.810.890.821.040.940.940.840.970.950.901.061.071.000.970.971.060.940.791.181.180.901.111.021.03
PA(38:6)ME1370751.151.191.150.930.981.120.981.070.961.030.980.771.080.961.070.640.970.940.950.990.991.120.930.880.830.951.040.970.860.960.971.010.810.920.830.960.840.770.951.020.940.881.111.131.151.531.031.120.990.971.021.261.061.231.241.201.031.221.021.111.091.250.950.940.831.001.040.941.020.760.881.071.000.810.801.031.020.861.040.860.880.851.260.950.991.091.191.081.041.110.980.990.990.971.090.941.121.021.080.951.041.170.840.961.010.870.841.050.980.880.831.141.140.870.961.101.14
PA(36:3)ME1370581.011.301.080.900.961.030.530.920.850.990.990.691.041.020.980.710.991.010.900.921.021.101.050.910.870.971.091.020.890.951.090.950.870.940.840.970.890.820.971.111.021.021.071.101.121.441.181.221.021.041.081.241.031.191.111.191.051.241.151.101.111.081.041.060.870.960.931.030.980.850.961.041.010.950.851.051.070.981.040.880.930.921.231.051.000.981.211.171.071.051.140.981.020.931.030.861.110.981.040.901.090.990.781.000.870.900.730.830.921.050.951.021.190.901.051.091.03
PA(36:4)ME1370630.991.251.110.950.951.140.830.910.860.910.990.701.021.071.070.691.021.011.000.920.981.061.030.910.940.891.010.980.921.011.100.940.910.970.870.990.890.841.001.091.030.981.101.151.161.411.261.191.121.001.171.341.051.291.161.221.051.251.131.121.171.101.041.030.870.970.980.990.940.850.911.040.970.970.840.991.090.961.050.880.960.881.140.951.020.930.991.020.990.971.001.021.030.870.920.801.070.890.960.900.991.020.801.000.880.980.810.890.910.960.961.101.120.891.061.001.01
[FA methyl(16:0)] 14-methyl-hexadecanoic acidME1370971.051.120.961.031.041.010.970.971.010.970.990.990.940.950.840.930.840.890.830.890.830.911.091.161.031.091.101.030.971.061.021.021.171.031.181.091.031.030.990.991.161.031.121.231.261.271.161.281.151.061.211.321.041.071.091.231.071.081.131.191.301.100.950.930.941.001.010.931.080.981.020.941.060.921.001.031.021.000.991.031.071.070.710.940.870.860.800.870.850.860.820.830.800.700.810.900.750.830.800.910.810.811.131.001.090.930.961.021.051.021.081.151.330.911.190.870.86
cis-(homo)3aconitateME1370470.960.991.020.950.991.000.971.151.020.940.980.990.980.870.870.860.900.940.831.540.850.850.961.051.000.960.980.930.871.020.960.941.161.020.880.900.940.840.910.921.001.000.981.001.021.030.900.931.070.961.021.001.011.010.951.001.110.910.971.010.971.060.981.020.890.940.980.971.080.970.960.980.950.950.991.070.961.000.971.030.980.961.091.061.091.021.171.231.061.230.911.020.961.071.270.981.011.031.001.070.940.981.021.131.011.151.181.041.011.141.371.060.940.880.741.241.24
QuinateME1369680.980.881.061.120.990.981.071.071.090.981.010.811.230.880.970.640.981.030.901.271.011.001.000.961.051.041.040.970.921.020.991.031.071.031.080.961.031.031.711.011.021.110.910.900.921.020.971.031.210.910.970.941.191.021.031.031.020.950.931.070.950.990.921.071.161.030.911.011.010.960.981.020.960.990.961.021.041.061.000.840.920.940.950.881.001.001.011.081.011.151.071.020.970.741.060.960.991.051.071.081.081.011.111.131.181.181.111.071.050.911.100.901.060.850.880.961.09
2-OxoglutarateME1369271.080.921.101.071.031.060.961.101.111.121.040.860.821.331.010.960.961.080.871.171.041.100.971.081.171.051.241.091.001.141.111.091.001.241.031.080.980.971.111.011.040.970.981.021.051.071.000.990.931.031.001.031.011.051.061.061.070.991.051.071.020.981.031.081.201.210.930.880.841.031.031.020.981.141.090.900.991.011.001.091.081.030.890.691.041.030.861.001.031.031.141.150.730.880.830.810.800.990.970.990.980.941.021.100.911.390.880.930.971.071.120.921.091.021.081.030.98
D-Glucose 6-phosphateME1369241.100.881.141.090.931.040.901.091.151.011.060.921.101.120.970.990.830.870.921.001.051.000.791.191.121.051.191.121.111.121.151.131.001.000.910.960.820.971.110.961.120.710.920.970.920.900.960.940.970.981.121.050.950.710.941.030.920.900.941.020.941.001.071.091.191.090.650.950.891.051.030.961.061.001.111.011.081.020.971.131.080.990.880.510.960.960.961.051.010.991.031.070.870.890.870.770.840.971.050.991.020.980.821.171.141.030.980.891.031.311.140.850.890.901.040.980.99
TaurineME1369211.150.951.130.980.991.210.891.061.071.180.950.811.001.120.911.000.920.940.971.000.950.930.990.941.020.921.120.830.971.101.010.980.961.030.880.910.750.871.010.860.890.900.971.020.951.190.970.970.990.991.161.141.061.180.991.040.961.021.001.070.991.050.991.010.960.961.020.910.910.910.860.931.051.030.980.951.031.040.931.070.940.940.830.830.880.910.880.920.890.920.900.980.820.720.780.740.790.920.930.910.850.890.861.251.791.291.460.970.921.071.001.061.110.841.110.890.93
Inosine2^-phosphateME1370041.040.800.951.010.991.130.860.970.980.990.970.781.001.170.961.010.940.941.031.000.960.950.871.010.950.951.130.920.961.081.000.930.900.940.860.820.700.890.970.911.011.000.810.850.900.860.870.890.920.801.041.020.941.160.921.030.860.880.900.970.880.970.951.021.060.990.990.860.821.080.911.011.010.891.020.980.980.940.931.030.960.940.890.840.900.890.860.920.890.890.910.920.790.820.810.700.881.060.900.920.860.930.991.601.511.591.460.950.901.141.070.910.970.911.020.971.01
N-Acetyl-D-glucosamine 6-phosphateME1370390.940.870.951.030.991.090.921.030.971.130.950.871.011.170.901.230.811.020.940.970.900.860.891.071.031.071.151.030.971.141.121.050.981.080.951.030.900.991.070.991.121.020.870.940.970.970.860.950.910.861.030.960.881.070.940.990.940.900.900.960.910.900.991.011.000.990.950.910.880.911.021.011.011.071.020.961.021.021.020.900.951.000.820.850.920.871.000.930.920.910.910.990.870.820.770.780.870.870.960.940.930.871.011.321.321.281.390.910.961.221.331.010.940.780.970.840.87
dCDP-ethanolamineME1370441.020.940.940.920.921.271.060.900.910.990.940.811.041.010.920.860.990.990.930.951.020.971.090.960.960.851.070.970.910.921.061.290.921.050.840.950.770.921.010.870.951.110.891.091.271.070.941.010.961.000.990.941.311.260.981.110.960.960.920.991.031.251.081.100.981.081.191.000.980.980.981.071.101.101.021.071.051.271.041.051.031.020.830.990.910.850.970.930.950.870.890.920.770.770.800.770.790.870.900.980.970.890.831.201.081.011.090.910.961.090.920.991.110.981.140.870.95
Cyclic ADP-riboseME1371091.100.911.020.970.961.130.970.900.971.060.990.831.041.110.970.860.930.930.930.970.970.940.771.050.920.931.040.971.021.021.001.030.931.020.910.840.770.900.990.891.040.770.900.920.991.141.030.920.970.911.021.061.010.931.110.980.910.940.981.030.921.011.021.010.971.011.020.930.890.981.021.001.071.020.941.001.021.030.951.101.041.010.960.861.000.990.950.961.101.000.910.990.860.930.910.790.970.920.920.970.940.911.011.371.081.041.020.920.921.211.020.991.171.000.971.030.98
GlycerophosphoglycerolME1371060.980.940.940.990.931.051.061.051.050.930.980.961.060.830.830.831.040.980.921.251.040.940.971.000.900.960.980.930.870.990.960.941.161.101.010.921.010.921.010.860.910.791.000.930.961.020.861.001.220.910.980.971.010.930.991.021.050.890.971.041.000.961.001.111.061.001.020.990.970.810.900.971.050.911.051.041.061.120.941.010.970.961.090.750.950.940.931.060.991.090.970.960.920.990.940.900.961.011.010.990.961.011.071.261.301.010.980.890.941.101.050.990.990.800.860.911.15
D-GalactosamineME1370231.011.091.020.841.001.120.890.851.000.920.980.891.030.980.990.900.901.000.951.020.940.990.990.911.020.881.000.870.851.000.910.931.000.940.930.880.860.910.940.980.850.811.031.101.141.231.121.161.091.071.051.111.081.171.171.131.011.051.021.061.131.071.071.210.950.961.181.071.041.031.011.051.160.961.021.101.111.261.081.061.071.020.830.901.010.910.931.020.901.010.960.900.880.780.980.890.840.950.910.921.030.880.891.271.271.431.100.990.940.940.881.091.110.880.980.820.95
MannitolME1369281.021.191.021.031.021.091.000.880.921.050.990.820.961.000.930.820.940.990.940.840.970.971.030.911.020.900.970.940.931.060.881.010.940.951.001.110.941.071.020.900.940.971.161.121.121.161.141.191.071.071.101.141.141.091.101.111.041.101.111.151.101.031.081.080.961.011.061.041.030.940.971.041.121.011.011.041.091.101.021.020.961.000.920.970.901.000.971.000.940.940.910.990.950.840.910.930.960.980.980.940.970.960.921.281.200.891.081.030.970.820.841.011.150.951.040.890.94
(2R,4S)-2,4-DiaminopentanoateME1369940.981.101.050.940.981.161.020.880.931.090.960.740.961.040.850.840.880.910.911.200.930.930.950.910.990.891.020.860.900.990.931.020.971.000.901.000.790.931.030.870.940.901.011.131.121.201.141.151.071.041.091.221.141.111.151.181.041.111.121.131.041.081.041.020.911.000.990.981.000.990.921.021.080.990.940.951.101.060.961.010.970.970.921.200.851.020.951.010.920.920.921.040.910.860.840.850.971.030.971.020.960.980.881.361.181.221.130.931.030.940.911.091.220.891.050.881.09
3-beta-D-Galactosyl-sn-glycerolME1369591.001.011.070.980.951.140.890.850.951.020.950.721.081.050.890.830.971.071.021.110.981.000.950.950.960.831.020.830.851.041.000.941.021.050.880.980.810.830.950.890.900.940.971.101.111.171.101.121.061.031.141.191.131.091.101.180.991.121.051.101.091.031.021.050.921.031.040.951.000.910.930.970.991.010.971.001.091.040.920.921.000.990.890.860.890.890.900.950.920.890.880.970.850.810.870.820.841.030.940.860.920.890.891.241.101.171.280.950.931.021.071.041.300.860.991.010.98
2-6-10-TrimethylundecanoicacidME1370010.961.011.041.011.001.050.930.980.990.940.990.930.980.910.930.890.870.950.930.990.880.921.031.081.041.051.011.021.020.981.101.011.040.991.041.011.031.051.001.011.011.061.001.021.051.080.991.021.041.031.101.060.990.971.091.071.031.011.051.061.111.061.041.030.970.970.970.990.951.010.961.011.001.041.031.060.960.980.981.040.980.981.011.031.011.000.980.971.011.000.960.991.080.970.960.970.970.990.951.010.991.030.971.051.001.001.050.990.920.931.001.151.091.011.171.041.08
myo-InositolME1369251.021.120.980.940.981.090.991.061.121.000.990.841.011.100.921.300.961.011.081.230.990.970.970.850.900.851.020.860.840.970.950.880.880.920.910.890.880.940.920.930.940.951.081.041.001.081.021.130.991.021.021.101.051.061.071.131.111.091.081.071.131.041.081.081.021.051.141.021.071.020.981.101.091.051.151.091.081.121.011.101.041.041.030.970.940.971.041.010.960.981.010.960.950.960.900.870.941.051.010.971.020.960.981.111.181.061.031.040.951.011.011.131.221.081.131.061.25
PG(34:0)ME1369861.121.031.091.030.910.991.051.111.031.011.060.971.080.981.080.951.091.101.071.071.041.131.201.131.081.141.201.111.111.191.191.001.110.941.191.130.991.151.111.061.261.110.931.051.031.101.091.041.030.950.910.921.010.811.021.070.961.021.041.160.881.031.031.091.161.201.161.131.100.801.011.130.990.791.041.121.171.111.131.121.221.040.690.960.911.120.900.721.021.020.940.701.030.890.850.910.950.681.040.780.980.931.080.800.920.850.671.001.061.061.150.950.990.621.031.090.70
acyl phosphatidylglycerol (n-C12:0)ME1371040.980.921.060.980.970.960.901.051.221.051.041.021.150.981.110.991.101.081.001.081.071.231.031.120.981.071.101.191.051.191.131.080.840.890.951.060.941.191.130.941.151.200.910.851.010.930.980.981.040.900.851.090.900.971.050.910.921.000.940.890.951.000.910.930.911.041.031.021.040.921.131.130.930.941.051.190.991.051.281.051.081.060.910.921.061.140.941.181.110.941.581.030.920.901.060.901.101.030.980.990.960.950.880.950.940.900.700.961.150.801.120.961.020.991.330.981.06
PE(36:2)ME1369851.081.020.980.911.091.021.201.291.181.111.081.011.191.061.121.061.171.151.161.131.091.181.061.030.841.021.161.021.020.971.080.830.920.851.050.970.850.991.131.021.030.930.980.910.960.970.941.040.780.960.960.841.010.951.171.020.980.970.990.860.950.970.970.891.060.991.010.951.030.921.081.080.821.011.101.020.910.951.001.021.000.991.000.951.070.890.931.111.171.100.941.040.990.941.040.911.050.940.971.001.001.011.110.821.001.071.021.141.190.961.050.820.970.981.150.970.96
PE(36:3)ME1370711.041.140.960.961.131.001.111.151.141.121.061.011.161.021.071.081.161.141.141.131.061.141.040.980.850.981.050.941.021.051.000.810.940.861.031.010.930.991.090.891.030.960.951.001.020.990.981.020.830.920.951.000.951.091.121.040.951.010.971.020.960.930.950.931.130.991.120.951.030.951.051.060.801.001.141.100.960.921.101.031.000.970.880.921.070.850.901.041.121.040.950.920.950.900.940.851.020.940.991.040.960.971.110.841.031.060.931.131.120.850.950.760.951.121.251.021.01
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-oneME1370940.931.070.941.060.921.111.091.040.840.851.040.871.081.021.071.101.131.081.161.111.151.150.920.901.031.040.990.900.750.881.051.050.870.971.120.891.050.901.041.050.900.810.921.031.011.150.951.081.031.031.000.951.051.080.970.961.150.990.951.101.181.050.850.890.940.930.960.830.930.850.880.870.780.900.970.810.900.880.861.040.940.931.061.201.020.981.011.091.071.001.101.001.081.011.011.161.141.191.211.091.091.110.881.100.891.151.070.800.891.060.831.131.271.000.911.141.02
CholesterolsulfateME1370480.981.071.231.200.921.090.861.000.960.851.030.741.120.781.010.811.061.031.000.971.031.061.281.141.111.131.221.101.031.111.251.031.001.111.131.041.061.041.121.271.121.131.000.950.891.201.011.050.850.911.061.080.851.091.091.100.931.110.970.960.991.060.830.800.920.880.780.890.940.730.920.940.710.860.781.040.860.831.030.790.960.831.020.981.141.051.121.161.171.141.090.971.060.970.930.921.131.011.100.981.071.010.860.951.011.250.830.870.970.871.300.911.120.831.031.121.07
PE(36:1)ME1370560.910.951.161.180.881.101.171.030.910.931.100.831.120.861.020.701.081.040.910.861.061.070.981.271.111.181.201.260.940.961.171.021.001.181.320.991.111.151.340.991.160.891.010.870.831.000.851.160.811.000.910.801.000.951.231.001.051.081.061.050.971.180.910.970.981.001.030.790.860.910.881.070.990.711.031.020.901.151.050.971.101.011.070.961.121.121.081.071.111.171.201.041.021.041.081.190.781.231.071.081.331.070.980.890.830.930.800.921.061.081.161.001.070.880.921.101.06
InosineME1369440.720.690.820.840.781.290.661.481.300.900.900.750.912.370.853.750.880.981.592.611.150.980.771.010.990.770.940.791.151.001.070.951.060.890.850.650.560.830.670.680.800.700.650.690.690.720.650.600.680.700.770.690.620.560.550.710.780.460.590.660.520.671.030.901.101.011.280.710.731.060.720.700.971.071.091.060.890.980.921.230.950.760.630.760.780.570.720.930.770.790.810.770.531.000.410.590.510.830.840.700.850.801.621.352.623.513.250.930.661.331.240.600.610.831.210.780.90
L-AspartateME1369380.930.550.740.780.851.430.601.701.831.160.810.951.022.580.885.660.740.772.373.620.920.800.650.820.820.820.900.900.910.940.990.840.840.790.650.640.600.720.750.790.860.830.550.550.620.680.580.610.630.610.820.740.640.770.640.820.820.620.670.730.710.740.860.860.980.881.080.720.760.880.760.860.900.950.930.870.910.960.821.020.940.910.730.790.760.710.760.800.740.750.810.800.650.680.630.630.620.820.800.700.790.710.751.073.242.644.610.910.721.621.420.830.850.890.970.760.93
Tetradecanoic acidME1369510.920.721.141.960.981.200.861.011.121.011.060.971.171.362.524.081.081.113.442.141.991.061.101.061.802.071.001.431.110.991.901.171.160.980.890.931.051.201.051.031.061.680.660.660.720.680.740.700.730.760.850.880.751.020.770.760.850.690.720.740.720.861.190.831.011.211.560.850.800.850.890.820.820.830.910.960.820.900.790.900.910.830.510.720.530.490.480.620.890.480.570.540.470.490.480.460.460.480.490.490.500.480.950.980.971.201.420.960.861.401.360.800.921.310.930.590.57
(9Z)-Hexadecenoic acidME1370170.670.470.991.830.831.250.651.081.140.771.050.721.192.001.625.250.870.913.253.681.380.861.081.221.471.801.191.551.521.141.591.951.230.910.920.770.801.330.921.131.181.660.400.390.480.490.460.500.490.510.720.720.470.700.560.590.720.640.510.560.490.621.230.941.491.261.741.160.791.030.900.920.900.911.121.391.090.870.871.131.250.800.730.910.680.620.740.770.760.600.750.730.440.700.520.350.430.560.570.490.680.470.690.890.981.712.010.680.471.961.570.640.681.281.170.800.96
(9Z)-Tetradecenoic acidME1370890.760.611.071.310.951.360.680.981.060.801.100.771.181.741.424.270.841.092.442.731.391.081.191.061.601.421.131.371.341.111.821.671.160.971.010.830.771.161.041.090.951.600.530.550.660.740.710.630.660.720.880.750.660.670.840.811.060.780.760.870.730.821.430.971.411.591.761.110.900.991.050.940.910.800.951.140.980.780.701.011.060.800.740.900.770.610.830.720.900.620.810.690.600.690.580.550.510.620.670.630.590.560.630.920.771.261.500.680.632.191.300.810.901.271.070.870.87
L-CystineME1369691.220.490.730.980.961.130.941.561.421.311.030.861.032.351.144.401.001.131.823.421.390.950.780.971.061.091.151.171.311.221.250.980.960.860.670.630.721.020.701.151.150.840.540.490.510.650.520.510.710.661.060.840.570.590.660.801.130.460.710.700.780.840.920.841.511.020.990.560.571.180.880.810.881.231.420.960.771.101.111.311.361.100.980.841.180.681.080.950.850.901.211.000.491.000.560.560.461.251.130.781.090.610.860.330.650.551.101.051.042.242.051.030.921.491.631.781.90
[PR] Abietic acidME1370090.870.570.640.740.801.340.621.411.411.030.830.870.842.780.754.170.951.062.023.160.970.900.941.060.790.830.910.840.960.880.990.810.550.720.620.640.581.080.680.730.961.220.580.810.710.660.610.660.720.670.890.850.703.550.620.910.840.800.700.880.670.820.830.831.150.861.580.760.751.020.810.860.951.141.151.030.750.890.951.181.020.920.991.240.860.800.980.970.820.930.850.950.800.880.700.660.701.101.030.820.900.900.871.131.312.041.950.800.691.391.410.970.971.291.051.311.23
[FA hydroxy(20:3)] 5,6-dihydroxy-8Z,11Z,14Z-eicosatrienoic acidME1370141.070.740.930.800.891.190.941.151.350.960.930.960.982.110.983.800.961.011.882.710.950.890.980.850.910.910.950.771.000.871.000.970.760.920.820.870.800.950.890.760.890.980.850.830.880.910.750.810.790.800.880.870.730.980.890.781.090.840.780.780.700.841.000.831.420.891.140.700.561.290.590.630.711.021.201.020.710.740.881.331.070.801.021.060.900.660.680.840.850.800.980.820.831.020.720.750.851.050.920.900.850.871.161.181.281.441.700.880.981.140.860.770.811.021.151.051.28
L-LysineME1369370.960.810.940.790.861.380.911.171.191.190.930.881.011.660.962.970.971.021.482.051.070.960.750.930.950.701.210.941.060.751.021.110.951.140.750.860.770.920.940.961.040.680.811.000.920.840.820.810.620.970.750.670.980.640.841.021.060.900.830.750.801.060.960.941.010.980.960.930.911.060.900.860.980.990.991.030.941.011.061.021.010.910.890.820.910.840.890.930.910.920.900.890.780.890.810.790.770.870.910.940.940.831.061.201.441.791.851.150.871.201.080.900.910.880.990.971.04
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acidME1370930.670.560.821.091.001.280.660.930.910.650.870.751.151.451.072.610.980.881.651.751.331.130.851.160.750.991.191.070.930.700.930.941.020.780.880.950.850.931.070.770.831.000.690.660.650.660.660.510.570.760.740.590.630.600.720.710.740.540.680.580.560.671.101.091.081.331.101.030.991.000.851.241.200.991.031.291.041.171.241.331.331.160.710.840.871.030.950.890.841.211.040.810.770.860.840.840.930.970.670.840.770.890.661.631.452.002.940.560.661.241.000.630.810.980.901.010.89
Pentadecanoic acidME1370920.810.551.061.250.971.030.771.041.200.831.030.761.081.301.303.180.890.942.222.601.220.931.011.051.201.271.081.241.111.061.191.231.030.840.810.850.840.990.920.951.161.600.530.430.550.590.560.580.570.640.750.790.600.860.610.680.680.630.590.670.600.681.211.031.291.141.701.101.001.111.070.981.111.101.121.261.101.081.111.221.200.950.931.100.800.820.870.990.940.770.910.870.720.750.720.610.670.800.800.730.900.710.921.240.971.651.790.840.641.451.450.640.761.311.291.061.02
[FA (17:0)] heptadecanoic acidME1370960.830.680.760.921.021.150.741.061.090.860.940.671.091.451.073.020.981.101.942.311.110.941.040.910.860.990.910.970.931.001.060.960.910.840.670.770.680.890.870.830.901.570.580.690.660.750.640.670.680.650.951.040.681.220.680.830.770.670.650.650.690.781.030.951.020.871.620.960.911.010.940.920.951.011.111.060.901.051.151.121.101.051.201.370.930.881.031.061.000.931.081.050.890.940.740.830.841.071.080.871.060.831.001.331.291.861.640.840.771.261.070.980.961.331.201.311.31
Hexadecanoic acidME1369500.830.590.840.820.991.000.601.070.980.671.100.730.981.231.302.750.991.322.152.201.270.930.780.900.671.090.681.101.000.911.030.820.720.640.631.010.800.921.270.881.011.540.520.480.520.500.620.550.710.670.700.740.510.880.560.610.620.510.500.730.530.721.261.031.150.971.671.010.871.131.041.041.101.141.431.090.951.261.271.251.271.141.131.190.960.780.891.290.840.831.031.190.830.930.800.880.810.841.000.860.950.870.721.561.011.601.740.720.681.110.740.890.841.401.171.451.11
Octadecanoic acidME1370180.930.690.780.631.161.190.761.131.040.761.020.731.351.451.152.741.151.671.902.261.401.140.640.690.520.720.560.800.820.760.870.690.710.620.550.880.700.771.060.760.851.300.550.530.550.550.620.600.760.630.630.730.600.750.550.610.560.480.540.760.580.781.191.031.050.921.760.960.971.031.011.031.031.111.161.120.991.161.231.171.101.101.211.450.970.880.940.960.850.820.990.891.060.980.830.890.891.071.090.891.070.860.941.641.172.232.010.740.660.830.611.010.971.241.181.401.26
GlycerolME1369570.890.710.840.970.721.630.781.151.491.060.960.961.133.101.204.220.861.082.652.651.271.210.731.191.101.021.411.131.170.991.061.081.121.220.880.910.491.000.980.921.040.580.690.600.560.710.520.650.610.680.850.950.680.550.510.660.950.440.690.720.650.611.050.991.441.030.910.880.621.051.060.751.411.161.441.091.080.961.061.281.581.071.070.550.860.970.850.911.030.770.841.120.590.940.610.640.531.111.050.880.860.720.660.910.891.721.920.560.791.741.060.520.540.920.741.030.95
[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acidME1370121.040.520.910.950.851.280.791.451.330.980.900.741.002.251.064.801.121.022.622.961.080.811.000.950.780.991.020.991.191.001.050.990.870.970.700.800.741.210.870.951.071.350.600.760.650.620.560.660.760.760.930.860.641.080.650.800.850.690.700.730.690.850.740.741.100.771.490.660.750.870.740.770.790.951.080.980.870.990.981.150.990.890.841.160.930.801.010.920.830.900.910.890.770.910.660.740.750.940.930.650.970.630.831.051.512.442.410.790.751.551.570.930.801.051.071.221.29
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acidME1370150.910.590.710.670.981.380.711.231.151.010.890.700.951.881.034.341.021.172.472.661.180.900.970.750.710.831.010.871.020.931.041.050.690.850.840.710.651.380.880.931.141.470.600.690.800.580.630.650.680.790.921.130.671.210.730.850.910.770.770.740.780.870.931.001.100.971.510.790.791.030.830.840.961.011.091.080.911.081.041.171.060.970.841.060.760.720.780.700.840.690.820.770.650.700.610.710.680.800.840.620.770.631.010.941.472.332.280.800.801.631.661.030.841.281.111.181.06
omega-Cyclohexylundecanoic acidME1370910.710.480.830.820.881.310.611.111.210.760.970.740.981.970.915.020.850.952.533.191.060.810.860.940.911.070.931.031.060.911.091.030.870.780.640.680.610.960.670.820.961.040.490.430.540.540.430.500.510.520.670.700.460.800.550.590.720.560.510.620.550.641.040.981.371.031.640.980.931.220.981.001.011.111.381.210.981.051.121.361.340.901.131.121.090.941.121.200.920.871.040.920.841.000.720.600.781.011.000.860.940.740.701.211.412.012.420.700.541.481.400.660.621.201.311.171.43
[FA (18:1)] 9Z-octadecenoic acidME1369490.800.490.740.830.821.350.651.251.210.800.900.710.962.251.136.041.041.152.943.651.190.890.970.910.790.981.011.011.101.011.061.020.830.840.680.710.701.070.830.860.941.180.510.600.630.620.560.600.630.620.880.790.640.980.620.740.770.600.600.630.630.800.970.841.200.901.580.810.711.010.830.800.840.981.221.070.821.041.101.331.100.981.011.070.930.760.940.950.830.811.010.890.760.970.640.660.680.931.000.750.930.670.731.011.322.292.420.680.631.541.400.850.771.221.221.331.34
Icosatrienoic acidME1370160.860.550.770.840.881.310.781.161.370.950.850.690.942.391.225.361.141.082.973.531.301.080.910.850.720.960.970.821.030.831.000.960.750.820.800.770.701.060.920.950.871.220.510.560.670.700.590.660.680.630.860.900.701.080.700.740.770.730.630.660.680.810.810.761.190.961.270.750.660.870.890.740.810.981.140.930.810.950.901.160.940.930.921.070.800.720.880.910.780.810.900.850.610.960.610.670.660.791.040.730.920.590.800.951.402.472.370.890.621.541.500.780.660.911.291.461.05
FurfuralME1371140.910.250.520.690.871.500.671.331.410.960.850.951.062.851.204.740.981.112.322.761.370.930.660.820.871.010.991.081.361.081.090.940.710.610.410.540.500.740.600.990.961.050.310.360.370.490.320.370.540.480.940.730.440.720.460.660.800.330.500.440.560.680.950.971.441.061.550.750.811.260.900.930.971.121.200.940.921.040.991.491.161.050.930.861.030.670.940.810.750.780.960.830.610.770.560.670.451.001.010.760.910.610.731.111.652.222.910.760.712.452.030.840.631.331.361.441.54
(S)-Methylmalonate semialdehydeME1370421.090.490.800.841.011.290.801.731.771.260.911.020.832.541.063.630.911.052.122.151.180.890.730.900.910.961.001.031.271.171.050.920.890.770.640.710.610.840.780.970.961.100.510.550.570.610.530.500.640.580.980.870.570.800.550.700.860.520.610.640.680.740.970.881.160.851.310.640.681.070.740.890.891.141.220.890.810.950.901.321.010.980.931.050.950.770.930.760.780.800.950.880.640.900.780.670.681.020.760.790.940.740.891.182.091.982.690.980.912.091.621.000.900.991.201.281.26
2-Hydroxy-2,4-pentadienoateME1370411.050.330.540.750.991.250.821.741.871.220.911.031.012.481.083.840.991.092.222.511.250.900.650.850.880.940.931.091.421.251.090.920.830.680.510.530.530.860.620.980.951.180.370.380.420.510.380.370.600.530.900.780.440.820.500.650.930.390.570.590.610.690.940.861.390.981.620.680.711.330.810.850.971.201.301.010.831.131.021.471.201.000.991.150.920.680.960.820.720.791.000.860.590.900.530.590.571.020.980.740.930.630.831.132.152.192.390.930.862.752.101.000.931.401.431.491.65
D-GlucoseME1369311.110.370.650.870.981.260.831.781.591.210.921.031.002.311.133.300.981.131.872.101.270.940.680.880.921.030.931.061.651.191.161.020.860.800.600.590.630.870.731.070.981.210.410.390.420.510.420.400.630.530.860.840.450.810.490.630.900.420.590.600.620.711.040.931.401.031.560.780.771.290.840.951.061.201.281.070.931.131.091.521.231.010.971.110.920.690.970.860.840.830.950.880.640.920.620.630.650.970.920.750.860.660.821.071.992.092.290.920.872.551.930.970.921.291.451.381.64
2-C-Methyl-D-erythritol 2,4-cyclodiphosphateME1369521.280.380.991.250.941.050.551.471.480.860.991.001.272.811.282.400.740.801.301.501.130.930.461.691.171.321.531.291.581.301.340.911.091.130.640.950.550.830.970.761.310.170.470.470.460.880.090.530.660.621.160.900.460.170.750.840.630.460.650.670.650.631.051.042.091.190.390.850.842.651.000.921.081.391.460.850.940.680.631.821.090.901.180.230.830.770.800.891.010.850.830.840.721.110.690.620.710.780.920.710.730.820.561.091.421.882.060.530.872.311.830.600.530.961.090.980.98
meso-Tartaric acidME1370240.990.520.880.960.831.020.671.411.311.070.921.130.981.390.971.380.850.881.101.160.920.990.871.331.031.291.161.301.271.011.361.040.981.110.990.900.793.581.060.821.010.930.580.630.660.700.620.640.700.690.990.810.730.820.650.760.810.510.700.700.700.850.810.961.510.981.510.620.561.230.870.890.871.301.320.900.830.860.771.401.160.930.611.050.910.710.900.890.870.860.770.900.570.840.730.610.550.910.750.680.870.750.791.222.381.202.970.860.832.011.640.920.640.880.970.891.19
PhosphoenolpyruvateME1369341.060.230.730.880.951.280.621.371.371.000.841.201.012.081.082.350.990.931.601.380.940.890.681.361.011.041.051.442.311.191.250.891.041.010.540.680.410.780.860.700.992.210.260.350.420.450.350.300.510.471.080.740.391.780.460.550.670.310.490.480.520.790.610.711.160.731.620.500.491.220.710.690.710.820.890.770.620.600.671.090.960.640.831.310.850.790.690.770.810.720.740.720.620.810.740.650.770.840.680.720.630.730.891.652.652.663.200.830.723.282.010.700.400.740.800.870.93
UDP-glucoseME1369291.030.390.971.200.941.110.751.151.270.990.921.071.001.620.981.730.880.861.191.100.910.920.751.371.131.201.301.251.471.111.281.120.891.100.700.840.590.890.980.761.161.100.460.530.590.670.530.490.610.651.040.770.550.830.620.720.730.490.590.610.570.780.780.861.480.961.430.650.641.310.870.900.851.091.260.870.800.760.841.521.120.900.661.010.840.710.770.890.840.820.830.820.590.780.730.640.620.800.850.720.800.790.841.622.242.352.240.850.882.161.720.650.540.860.960.970.97
GDP-L-fucoseME1369631.050.310.781.110.851.170.611.341.470.920.880.910.991.731.012.040.910.951.371.130.950.920.771.401.241.311.191.241.580.921.230.991.020.970.630.700.590.800.810.680.931.130.370.420.470.530.380.430.640.550.970.580.440.760.480.600.730.390.530.480.510.760.600.741.430.951.560.460.441.360.860.700.700.901.140.940.720.620.691.421.050.840.611.160.930.710.830.880.900.861.000.900.540.940.670.670.610.860.860.750.760.890.871.882.512.922.410.780.802.571.630.750.540.761.121.141.00
GDP-mannoseME1369331.070.270.851.190.921.180.661.521.550.960.901.011.021.751.132.110.910.981.371.270.990.870.721.601.161.411.241.441.861.041.381.091.041.110.620.700.590.790.870.781.120.990.330.340.400.460.340.380.480.520.890.540.430.580.470.540.660.330.470.450.440.690.720.761.620.961.440.600.511.270.770.840.741.031.210.950.660.720.801.421.230.840.600.971.000.710.770.920.840.760.920.890.540.960.740.610.580.860.870.740.830.830.781.712.382.552.360.790.862.522.160.610.470.810.921.011.04
(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanoneME1370070.810.430.740.750.910.880.491.001.230.860.770.980.851.370.791.500.800.760.971.100.730.880.630.930.930.930.970.911.230.880.870.840.700.800.600.700.480.720.750.660.880.910.440.470.510.600.490.530.590.580.730.680.510.660.500.620.550.430.510.560.500.650.821.251.740.961.740.720.731.550.911.151.201.301.060.961.220.960.841.790.831.030.590.790.750.710.690.740.600.530.780.780.410.540.660.590.630.800.690.700.580.691.232.614.053.103.030.570.691.291.190.750.811.071.410.660.80
D-Ribose 5-phosphateME1369260.970.540.880.930.771.200.781.161.120.800.910.891.001.420.951.880.890.951.111.311.000.920.561.070.920.760.980.831.050.881.061.060.760.910.570.750.530.700.780.690.910.500.630.670.650.810.610.650.590.710.930.790.690.520.730.800.700.580.680.660.710.780.820.841.110.941.010.730.660.970.850.700.820.910.870.740.790.780.831.041.000.810.670.710.780.680.730.730.760.710.790.860.590.820.630.620.560.690.770.660.800.703.211.782.973.273.700.810.851.831.480.870.870.991.251.081.11

Factors:

F1Drug:2-deoxyglucose
F2Drug:Art0010
F3Drug:Art0100
F4Drug:Art1000
F5Drug:Artemisinin
F6Drug:Atovaqn
F7Drug:Atovaquone
F8Drug:Buthionine Sulfoxime
F9Drug:c3361
F10Drug:Chloroquine
F11Drug:DMSO_DF
F12Drug:Fluoroacetate
F13Drug:MB1_A02
F14Drug:MB1_A03
F15Drug:MB1_A04
F16Drug:MB1_A05
F17Drug:MB1_A06
F18Drug:MB1_A07
F19Drug:MB1_A08
F20Drug:MB1_A09
F21Drug:MB1_A10
F22Drug:MB1_A11
F23Drug:MB1_B02
F24Drug:MB1_B03
F25Drug:MB1_B04
F26Drug:MB1_B05
F27Drug:MB1_B06
F28Drug:MB1_B07
F29Drug:MB1_B08
F30Drug:MB1_B09
F31Drug:MB1_B10
F32Drug:MB1_B11
F33Drug:MB1_C02
F34Drug:MB1_C03
F35Drug:MB1_C04
F36Drug:MB1_C05
F37Drug:MB1_C06
F38Drug:MB1_C07
F39Drug:MB1_C08
F40Drug:MB1_C09
F41Drug:MB1_C10
F42Drug:MB1_C11
F43Drug:MB1_D02
F44Drug:MB1_D03
F45Drug:MB1_D04
F46Drug:MB1_D05
F47Drug:MB1_D06
F48Drug:MB1_D07
F49Drug:MB1_D08
F50Drug:MB1_D09
F51Drug:MB1_D10
F52Drug:MB1_D11
F53Drug:MB1_E02
F54Drug:MB1_E03
F55Drug:MB1_E04
F56Drug:MB1_E05
F57Drug:MB1_E06
F58Drug:MB1_E07
F59Drug:MB1_E08
F60Drug:MB1_E09
F61Drug:MB1_E10
F62Drug:MB1_E11
F63Drug:MB1_F02
F64Drug:MB1_F03
F65Drug:MB1_F04
F66Drug:MB1_F05
F67Drug:MB1_F06
F68Drug:MB1_F07
F69Drug:MB1_F08
F70Drug:MB1_F09
F71Drug:MB1_F10
F72Drug:MB1_F11
F73Drug:MB1_G02
F74Drug:MB1_G03
F75Drug:MB1_G04
F76Drug:MB1_G05
F77Drug:MB1_G06
F78Drug:MB1_G07
F79Drug:MB1_G08
F80Drug:MB1_G09
F81Drug:MB1_G10
F82Drug:MB1_G11
F83Drug:MB1_H02
F84Drug:MB1_H03
F85Drug:MB1_H04
F86Drug:MB1_H05
F87Drug:MB1_H06
F88Drug:MB1_H07
F89Drug:MB1_H08
F90Drug:MB1_H09
F91Drug:MB1_H10
F92Drug:MB1_H11
F93Drug:MB2_A02
F94Drug:MB2_A03
F95Drug:MB2_A04
F96Drug:MB2_A05
F97Drug:MB2_A06
F98Drug:MB2_A07
F99Drug:MB2_A08
F100Drug:MB2_A09
F101Drug:MB2_A10
F102Drug:MB2_A11
F103Drug:Methylene Blue
F104Drug:PBQCa
F105Drug:PBQCb
F106Drug:PBQCc
F107Drug:PBQCd
F108Drug:Piperaquine
F109Drug:Primaquine
F110Drug:QT_MB1B
F111Drug:QT_MB1C
F112Drug:QT_MB1D
F113Drug:QT_MB1E
F114Drug:QT_MB1F
F115Drug:QT_MB1G
F116Drug:QT_MB1H
F117Drug:QT_MB2A
Data matrix
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