Clustering data with hclust algorithm for (Study ST002576)

HILIC POSITIVE ION MODE (Analysis AN005612)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53F54F55F56F57F58F59F60F61F62F63F64F65F66F67F68F69F70F71F72F73F74F75F76F77F78F79F80F81F82F83F84F85F86F87F88F89F90F91F92F93F94F95F96F97F98F99F100F101F102F103F104F105F106F107F108F109F110F111F112F113F114F115F116F117F118F119F120F121F122F123F124F125F126F127F128F129F130F131F132F133F134F135F136F137F138F139F140F141F142F143F144F145F146F147F148
2-HydroxyphenethylamineME8961190.610.740.690.400.550.701.040.941.241.100.690.440.672.540.950.800.940.640.470.900.732.661.590.640.760.760.750.370.520.470.560.550.690.910.810.392.340.570.760.520.380.360.420.460.590.911.251.360.900.762.510.860.720.880.880.590.730.560.860.660.370.630.430.490.300.970.630.600.520.890.690.751.070.520.470.780.520.360.540.831.090.941.080.890.920.610.800.550.733.032.420.871.551.501.490.950.900.463.592.751.891.330.991.210.510.660.861.530.610.562.571.790.510.651.211.290.631.090.470.800.691.311.030.900.442.220.790.711.521.221.010.640.872.220.781.031.850.832.361.690.841.300.751.512.501.171.401.70
NicotinamideME8963481.031.180.860.740.680.861.300.421.110.520.440.800.960.931.970.970.450.600.711.080.662.260.670.920.870.512.110.520.791.350.550.680.530.540.430.540.990.780.800.651.161.090.801.121.150.900.690.730.990.970.830.961.310.841.061.340.550.511.930.931.180.911.020.681.031.610.611.110.830.751.621.370.760.550.821.071.040.850.670.740.968.700.621.000.790.730.891.290.570.911.471.121.441.761.421.231.590.860.891.411.532.121.000.970.722.011.561.431.000.880.871.530.390.521.331.311.260.630.920.900.992.012.121.550.892.011.671.001.380.941.550.920.931.180.640.960.610.651.530.930.741.151.681.571.350.720.830.66
1-Cyclohexyl-2-azetidinecarboxylic acidME8961000.430.700.890.970.270.240.211.120.230.200.261.640.840.260.2412.530.220.230.360.340.260.230.250.350.240.240.540.280.250.200.200.331.010.480.270.201.742.211.521.755.976.430.570.600.230.2210.6915.470.400.285.342.880.930.890.270.250.260.221.470.760.400.830.350.150.230.200.182.099.029.110.450.230.230.371.531.020.230.220.200.330.370.360.210.660.210.227.420.500.500.200.350.210.840.310.260.231.731.673.030.791.340.240.370.300.190.230.590.472.901.550.242.390.270.510.210.670.550.260.201.360.311.480.320.200.492.370.230.300.271.190.451.440.210.500.270.220.200.340.311.270.211.120.180.290.233.950.260.29
6-Hydroxypseudooxynicotine1ME8961842.430.620.240.200.190.500.571.900.410.401.430.740.630.731.580.400.341.031.211.091.473.361.510.260.180.110.721.120.912.661.761.390.470.880.360.412.170.212.090.921.070.930.361.152.551.112.583.310.470.491.971.740.271.480.130.750.630.640.610.601.280.801.150.781.801.290.851.370.830.450.800.291.590.470.780.731.650.910.382.252.601.121.621.050.770.360.390.621.491.120.920.700.560.890.890.740.740.940.971.332.030.591.491.091.470.940.821.500.791.260.691.280.760.551.720.761.141.060.500.530.971.231.000.410.342.240.900.850.733.261.001.300.620.561.311.450.942.332.060.980.471.350.800.700.351.850.991.05
GabapentinME8962650.030.010.020.020.010.020.010.020.020.020.010.020.010.020.020.010.0276.5625.640.010.020.030.020.020.020.010.030.020.010.000.010.020.120.010.000.010.030.010.020.020.040.030.020.000.020.010.020.010.020.010.010.030.020.010.010.010.030.0212.040.020.010.020.020.010.000.010.010.040.010.010.010.010.010.010.012.740.020.010.010.010.010.020.000.020.010.000.010.010.000.010.000.010.020.020.000.020.000.000.010.010.030.020.020.020.030.010.010.020.010.000.010.000.070.020.010.000.020.040.000.0036.160.010.020.020.010.010.010.020.010.010.020.020.020.010.030.020.020.010.020.020.000.010.000.020.020.041.010.28
N-docosahexaenoyl GABAME8963250.382.450.171.260.290.390.330.800.291.070.200.430.470.401.290.300.531.330.231.291.040.590.730.463.000.760.330.350.461.110.681.120.042.351.162.030.140.440.260.692.603.950.450.441.162.050.591.511.321.571.120.940.470.401.402.112.193.290.131.080.551.700.132.162.182.851.951.610.380.510.310.480.780.300.310.861.411.060.870.601.241.830.155.640.691.861.340.780.580.420.391.980.181.830.712.090.943.040.410.560.530.360.160.720.521.230.861.482.530.291.381.510.460.680.421.470.432.530.400.070.591.500.270.560.760.230.310.240.530.410.970.160.951.760.900.401.920.330.970.552.551.580.961.331.710.371.191.54
Gaburedin BME8962660.590.230.270.200.177.110.143.010.231.360.170.210.260.260.180.290.160.250.220.310.180.150.190.180.160.150.490.460.160.270.220.370.410.350.780.250.700.340.490.330.560.260.190.190.360.295.100.640.420.270.210.270.340.250.210.700.222.760.600.590.370.350.290.180.204.540.170.240.193.230.310.140.440.190.620.700.235.880.150.130.470.820.580.300.380.184.670.230.150.150.360.180.180.200.430.830.320.290.370.160.300.144.906.560.280.150.300.280.160.190.450.170.130.370.200.260.340.670.230.170.259.930.230.350.260.300.444.760.140.400.560.240.290.300.440.490.290.560.180.190.240.480.170.320.190.633.450.21
3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-5-oxohexanamideME8961481.220.990.870.270.681.581.060.610.680.331.140.530.490.790.251.370.351.020.480.920.541.010.721.210.460.921.291.331.491.680.930.871.740.862.230.291.120.440.890.631.511.490.690.531.380.450.690.270.810.281.321.270.710.641.941.060.740.500.970.571.310.430.850.590.600.380.920.850.890.500.620.792.080.461.180.981.120.710.490.461.181.241.581.541.260.540.671.470.721.551.511.112.961.721.020.710.780.881.272.321.031.740.800.810.441.340.932.390.702.220.820.910.370.651.380.851.741.251.100.982.811.611.310.781.020.941.200.590.501.171.071.330.850.991.732.401.141.121.020.781.010.810.562.411.061.191.190.94
3-PhenylpropionitrileME8961541.040.870.750.590.911.381.280.821.000.990.910.880.900.480.801.840.830.481.001.251.501.281.371.100.961.221.501.091.051.531.140.780.900.760.920.641.290.880.930.950.930.731.201.211.380.961.120.121.631.340.900.931.441.061.320.380.790.560.810.351.150.861.080.880.971.181.251.091.201.361.130.960.540.821.091.661.311.031.281.331.221.100.451.811.240.571.431.261.120.760.191.231.100.781.251.141.241.111.041.221.130.571.151.251.441.341.261.001.031.180.330.810.441.121.141.120.851.241.061.060.681.591.261.371.671.171.251.041.171.391.301.131.291.451.471.481.351.571.191.431.101.540.391.260.971.210.880.88
L-TyrosinemethylesterME8963000.991.301.350.940.861.671.020.921.511.081.290.610.802.151.600.741.302.392.561.111.191.071.281.181.110.660.861.641.401.471.341.540.820.770.770.430.880.742.022.021.501.251.311.081.541.040.880.701.040.660.811.140.780.981.651.771.250.880.720.961.000.930.960.771.171.020.831.120.700.590.880.720.731.332.321.761.531.241.521.391.221.331.040.861.101.181.080.901.011.730.910.931.461.041.291.540.850.821.360.751.041.231.381.110.951.831.780.910.731.171.471.071.000.871.170.630.990.980.840.631.071.101.970.970.420.920.650.880.700.950.701.390.460.740.950.680.810.660.560.562.020.691.401.061.210.610.600.82
4-NitroacetophenoneME8961690.791.481.081.291.201.051.651.801.091.191.411.482.090.520.770.362.140.960.600.211.562.011.940.130.481.560.360.690.820.320.761.551.202.272.261.630.560.580.450.811.221.560.941.440.720.542.110.850.561.120.500.510.361.791.632.170.822.771.070.431.341.430.570.360.290.321.010.781.842.032.011.930.730.401.671.562.241.740.912.151.461.450.650.240.940.660.641.132.440.440.471.460.630.540.411.190.801.170.851.452.130.400.801.020.330.591.351.410.840.831.042.442.131.170.750.461.920.570.801.881.500.330.630.641.200.520.690.260.450.990.601.000.830.530.510.821.100.851.100.731.420.910.330.390.490.760.860.60
ChenodeoxyglycocholateME8962191.231.120.130.520.320.530.260.630.220.180.350.290.540.291.840.340.671.650.160.750.400.641.850.431.080.410.580.710.330.470.740.680.191.730.330.350.120.230.840.680.653.361.430.572.342.190.824.190.800.841.161.200.270.210.610.640.110.360.634.660.541.540.130.600.215.673.242.400.610.580.370.530.540.140.302.140.350.381.180.860.320.150.181.500.731.222.790.640.330.200.462.250.030.680.750.321.085.560.140.450.730.350.090.210.071.341.821.904.750.202.662.000.590.540.370.900.710.690.430.041.281.440.220.200.680.120.130.220.130.431.010.140.680.570.420.280.180.170.630.880.251.660.751.980.120.252.221.21
BufexamacME8962120.580.120.060.620.330.100.662.600.060.088.860.632.390.410.5015.290.090.260.130.530.740.110.401.570.080.080.430.100.390.360.115.010.590.470.100.080.100.090.650.090.1912.521.631.530.110.090.100.070.110.470.410.102.333.561.540.220.100.070.140.090.554.520.080.360.090.391.564.900.090.690.100.090.090.680.100.080.420.160.320.090.110.100.110.110.100.240.101.151.270.110.120.090.280.090.311.050.090.090.100.120.450.103.840.070.700.082.760.100.280.080.490.100.094.040.914.560.100.091.131.180.181.232.871.410.100.061.442.870.470.100.082.180.100.100.580.120.674.070.101.320.100.940.550.860.100.091.900.69
6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acidME8961831.081.081.260.840.690.770.711.181.001.440.610.821.901.302.020.841.370.810.891.071.341.081.091.801.500.410.630.701.221.011.571.840.831.190.460.861.862.071.470.921.310.950.950.931.101.312.212.341.181.301.180.670.700.731.961.721.401.270.941.150.571.470.831.050.370.921.071.220.751.071.141.411.220.971.600.701.151.680.860.821.231.640.590.730.821.181.280.310.690.410.710.751.081.331.011.091.080.671.971.501.581.111.131.691.390.860.870.720.840.940.971.300.680.721.081.340.671.271.160.950.301.140.910.800.940.671.341.190.290.911.040.420.801.611.120.891.181.120.691.131.001.011.250.990.820.120.840.86
Hypoglycin AME8962741.030.740.650.390.432.130.230.410.642.090.250.150.090.390.110.650.650.260.250.560.532.901.870.920.410.120.362.933.740.540.370.180.070.070.120.060.250.100.780.461.152.131.902.653.472.330.080.200.130.130.620.520.330.220.310.440.540.480.100.081.881.410.080.182.272.860.740.810.360.070.751.010.110.440.370.220.440.300.500.540.080.090.121.310.110.640.100.530.970.210.100.090.910.963.632.480.100.191.811.220.261.961.850.110.442.092.330.670.071.170.560.900.140.401.741.010.091.340.893.210.140.311.728.680.102.670.261.390.182.030.080.470.603.590.102.493.712.540.639.910.571.534.602.185.572.070.751.81
4-amino-4-cyano-butanoic acidME8961622.100.650.220.630.290.543.260.590.240.940.570.321.333.741.130.561.181.080.762.111.640.180.350.350.790.132.600.611.420.861.831.350.250.260.950.744.111.170.710.681.091.441.011.933.881.290.302.912.231.950.300.590.913.460.842.580.592.020.791.140.260.542.132.010.401.230.510.570.310.363.590.372.351.041.200.920.260.781.261.192.510.670.110.790.201.080.390.270.370.901.391.160.260.380.452.100.600.910.280.380.590.281.770.330.380.380.500.210.710.842.371.180.700.520.820.790.541.441.390.350.292.830.890.843.110.501.472.510.190.890.190.591.011.341.461.790.950.312.930.680.880.480.720.601.100.590.920.66
4-Methylene-L-glutamineME8961680.991.090.860.700.481.180.940.760.870.630.930.520.000.710.751.040.810.761.690.771.100.741.191.040.840.590.741.080.921.561.721.100.570.920.491.151.331.240.951.680.931.201.161.380.890.760.001.270.840.931.191.860.550.711.511.770.800.810.921.400.981.700.640.600.591.130.941.001.511.160.870.740.750.001.191.671.301.281.071.410.931.290.852.791.100.931.100.901.411.080.541.010.990.831.131.661.060.921.030.800.910.810.750.901.661.421.610.940.851.171.870.820.620.921.361.220.982.461.620.591.191.331.201.080.841.001.020.760.862.371.411.101.081.131.311.301.251.400.981.321.431.301.251.931.451.280.821.18
DecanoylcarnitineME8962420.240.450.510.330.370.462.351.470.570.690.610.601.341.531.670.471.100.230.560.450.441.190.870.741.270.370.540.740.610.340.642.111.220.720.790.831.361.850.740.350.510.910.981.600.620.681.550.821.560.761.451.560.500.731.101.120.670.650.240.930.280.210.673.380.541.150.560.500.891.102.101.430.650.340.960.840.611.010.721.981.783.371.080.541.401.344.891.050.830.622.191.431.311.390.811.093.572.261.214.313.121.502.380.750.671.202.791.011.260.791.381.410.370.000.601.211.800.700.851.191.331.751.730.480.640.291.950.961.051.293.021.114.391.231.481.671.150.562.100.810.910.851.010.631.380.880.320.47
MethohexitalME8963121.080.481.700.580.520.821.750.411.020.531.100.660.431.490.580.820.490.710.581.561.044.770.940.710.430.641.001.310.711.870.720.720.940.301.180.562.130.651.160.590.870.440.640.861.880.801.300.542.221.001.050.591.171.041.981.371.010.550.850.852.100.720.790.280.450.380.900.891.410.530.960.682.540.361.100.552.360.641.090.611.041.381.431.501.340.671.171.470.571.281.070.701.370.781.051.001.050.661.171.441.161.230.821.270.561.351.451.330.580.510.940.680.290.591.020.951.732.431.941.050.542.151.171.581.330.611.620.841.131.131.440.900.791.012.762.292.022.180.791.110.901.310.911.441.370.650.800.83
Deoxyguanidinoproclavaminic acidME8962440.770.560.830.150.321.071.100.220.340.260.500.460.620.170.091.090.292.340.742.712.050.530.680.710.300.180.890.210.762.302.250.850.281.101.090.651.690.381.201.344.320.850.411.710.661.530.620.480.380.934.021.150.591.051.262.130.680.440.320.571.170.260.550.300.810.631.920.991.980.530.490.500.850.370.612.171.030.551.001.251.360.690.962.110.881.340.270.741.090.960.530.440.240.401.000.380.790.531.401.031.870.340.610.260.361.650.630.720.511.491.400.690.580.972.112.761.301.061.450.162.100.610.351.090.480.900.740.610.281.040.790.720.252.351.573.531.560.820.381.060.960.950.755.051.661.931.281.49
(2E,4E)-7-methylocta-2,4-dienoic acid amideME8960830.050.030.060.040.030.060.020.020.040.020.030.020.010.030.050.060.0377.8325.090.070.040.030.040.050.020.020.020.030.020.030.040.020.100.050.050.050.020.020.020.020.020.020.030.030.050.060.020.050.060.060.030.020.040.060.050.030.020.0211.430.040.020.040.020.020.020.020.020.030.030.020.030.070.040.020.022.530.020.020.060.020.040.050.080.070.020.020.070.040.020.020.020.030.020.080.090.070.060.020.050.070.060.020.020.080.020.030.020.020.020.020.020.020.150.020.020.020.020.020.030.0234.970.030.050.040.020.040.040.040.050.030.050.060.020.030.060.030.040.020.060.080.020.020.050.070.040.020.920.22
6-Hydroxypseudooxynicotine2ME8961851.191.841.151.240.561.300.711.481.101.230.570.410.581.340.801.261.530.801.200.810.691.131.391.191.170.570.521.791.961.952.270.790.460.540.630.351.261.040.921.451.610.091.681.391.080.790.880.460.760.622.041.631.001.041.672.150.790.791.630.510.861.070.941.310.930.820.631.471.010.720.880.910.821.052.170.672.111.821.521.751.451.790.630.370.900.510.880.400.931.300.870.580.661.131.511.591.441.631.381.121.701.051.521.080.972.533.210.740.621.971.710.841.131.041.130.411.770.700.730.831.570.820.820.710.851.590.190.600.720.990.511.240.370.461.040.681.310.431.220.711.330.400.751.030.781.130.731.22
3-Vinylaniline1ME8961561.190.871.080.580.911.011.120.581.050.800.950.830.680.970.741.140.740.820.811.241.051.240.970.950.850.811.121.180.991.510.950.860.810.571.050.671.090.701.090.981.201.020.950.881.160.730.970.821.451.021.410.910.990.791.311.270.960.731.591.001.110.720.850.730.920.911.100.900.961.060.980.841.180.670.871.111.110.871.111.071.101.051.331.501.090.691.031.551.021.331.171.071.061.061.091.021.070.901.211.301.111.210.981.250.981.681.331.190.900.880.940.950.470.831.231.321.221.011.121.341.061.491.131.151.151.030.990.900.961.251.021.021.121.281.231.501.351.181.331.350.991.050.961.351.191.181.071.03
3-Oxo-5beta-cholanateME8961531.340.951.370.150.441.160.510.150.190.700.320.671.891.343.840.260.561.510.380.951.943.083.200.130.601.001.090.380.711.251.110.830.591.510.290.120.240.330.791.351.817.280.180.651.630.780.830.311.105.141.141.120.200.641.291.430.211.540.150.124.050.400.500.270.110.231.090.181.640.590.270.260.470.560.351.520.650.600.5418.750.750.900.221.960.770.350.293.394.321.460.401.100.280.721.380.650.581.620.510.920.520.120.460.900.143.310.490.621.280.501.601.690.321.611.470.711.610.393.410.130.891.690.500.990.220.320.140.210.431.150.510.220.192.930.420.941.180.210.450.180.871.540.711.680.280.170.520.96
5-methyl-1H-quinazoline-2,4-dioneME8961761.261.371.090.560.872.040.490.191.090.292.420.670.091.260.171.033.811.553.720.560.291.760.562.021.000.871.401.961.542.032.880.640.490.381.230.531.270.242.273.471.770.381.022.582.501.560.570.570.831.031.401.910.620.784.144.641.130.290.270.901.570.241.200.270.591.231.070.471.470.361.120.312.130.920.710.282.490.620.850.070.940.360.610.370.431.170.290.770.591.040.801.151.121.260.500.530.480.660.561.700.514.890.250.430.511.231.281.010.241.201.400.090.410.500.770.520.580.681.150.280.630.951.010.651.061.880.861.550.540.830.690.920.401.490.861.430.452.691.480.120.790.500.841.000.561.550.850.72
[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacidME8960960.790.050.090.540.064.060.020.210.400.050.440.110.310.030.020.850.011.850.360.260.110.038.190.770.300.020.360.260.030.370.930.030.110.730.591.050.3217.540.521.430.190.212.441.920.040.350.080.620.170.440.482.170.280.197.990.455.890.200.100.210.160.090.100.410.120.120.255.360.480.370.251.050.730.090.071.430.140.492.695.120.020.300.351.090.279.000.120.310.560.132.360.130.160.490.610.260.160.050.110.360.130.161.530.140.780.050.770.120.372.140.330.075.160.622.971.080.520.380.430.030.290.092.292.480.360.270.340.330.021.270.181.790.080.180.331.290.030.350.040.320.460.350.380.183.929.401.131.79
2,3-dihydroxy-N-methoxy-6-propylbenzamideME8961310.678.050.191.711.490.850.171.220.330.531.770.350.821.539.310.093.281.440.810.300.390.110.121.272.660.900.351.312.850.290.412.842.290.453.711.760.732.672.580.170.980.940.430.730.662.260.270.290.500.381.780.580.111.150.740.508.452.760.390.610.573.960.501.060.420.820.340.200.290.640.410.500.351.290.690.140.834.590.451.550.140.521.411.340.312.780.360.220.240.720.340.314.031.350.333.540.370.350.220.190.431.150.551.330.620.040.340.170.310.071.540.911.290.200.271.470.471.200.480.450.610.190.290.190.230.262.180.760.182.040.230.670.600.240.110.300.061.380.800.580.460.080.340.120.112.081.020.50
2,4,6-Octatriyn-1-olME8961320.700.540.830.992.320.711.120.390.380.251.631.690.411.380.592.120.961.591.521.461.521.160.411.540.531.420.852.081.922.741.090.670.740.501.030.880.711.500.311.672.861.921.551.391.440.910.640.430.910.821.050.931.210.950.540.881.321.100.731.141.821.791.950.971.430.380.852.101.710.831.891.421.781.520.920.832.291.820.790.640.830.680.851.550.760.461.190.660.640.940.740.590.530.990.760.600.710.560.740.800.830.790.681.030.891.120.790.730.420.630.810.500.941.151.010.980.970.730.560.630.601.060.690.531.960.550.640.430.900.740.830.490.391.311.110.861.050.991.081.340.850.720.831.150.630.721.220.99
Dehydrofusaric acidME8962430.991.301.350.940.861.671.020.921.511.081.290.610.802.151.600.741.302.392.561.111.191.071.281.181.110.660.861.641.401.471.341.540.820.770.770.430.880.742.022.021.501.251.311.081.541.040.880.701.040.660.811.140.780.981.651.771.250.880.720.961.000.930.960.771.171.020.831.120.700.590.880.720.731.332.321.761.531.241.521.391.221.331.040.861.101.181.080.901.011.730.910.931.461.041.291.540.850.821.360.751.041.231.381.110.951.831.780.910.731.171.471.071.000.871.170.630.990.980.840.631.071.101.970.970.420.920.650.880.700.950.701.390.460.740.950.680.810.660.560.562.020.691.401.061.210.610.600.82
Ent-cycloechinulinME8962590.661.210.930.990.551.550.710.841.302.150.391.161.411.901.050.590.670.851.030.891.020.640.890.720.831.102.170.800.641.500.640.341.031.072.580.621.511.491.860.830.453.160.650.890.720.691.350.820.890.951.380.860.940.771.471.211.150.950.370.630.981.751.300.750.431.230.900.980.710.940.710.690.360.860.861.650.721.140.630.880.400.262.812.491.610.832.151.031.651.011.351.121.412.621.241.523.091.340.961.811.571.171.010.701.031.691.341.661.030.711.711.480.480.801.342.541.231.751.230.681.181.801.421.790.241.081.451.641.791.811.010.871.731.100.831.401.271.311.201.221.082.132.211.441.150.990.031.21
1-Deoxy-D-glucitolME8961011.220.871.080.550.880.991.220.571.090.810.950.820.660.980.741.120.690.780.821.271.051.250.960.960.880.771.011.171.021.460.950.850.820.560.990.681.050.681.130.991.181.060.990.871.190.700.970.831.521.011.430.881.040.751.261.210.890.701.601.011.080.700.820.700.890.891.130.890.971.081.010.841.110.610.841.151.090.851.051.111.151.111.391.521.200.731.041.601.021.401.181.091.061.141.131.011.040.891.191.261.171.250.951.301.001.781.351.280.900.840.900.930.450.821.291.381.301.011.151.381.031.571.121.161.151.021.010.900.991.291.060.961.081.311.331.481.331.221.401.401.031.060.961.350.211.181.061.08
(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acidME8960850.680.480.560.620.890.940.890.421.370.570.470.570.400.480.490.970.470.620.421.140.770.720.451.370.390.810.600.820.191.710.640.400.640.500.490.450.550.458.241.494.146.821.581.320.430.660.710.910.900.840.810.560.901.330.761.210.420.631.060.460.885.360.900.530.750.840.740.990.480.071.120.940.890.510.600.891.241.361.300.631.120.250.604.820.450.240.770.190.640.990.950.330.240.250.380.201.220.580.900.720.660.160.540.570.760.800.620.300.340.520.540.900.560.712.292.471.031.820.990.990.931.020.790.450.540.420.941.740.672.460.951.081.600.660.852.354.340.061.951.271.250.931.221.261.111.341.031.30
Betaine1ME8962040.870.720.770.710.770.851.010.890.910.710.900.710.620.880.921.001.040.580.970.860.971.041.061.090.740.840.531.070.841.151.200.740.790.871.070.650.920.910.680.620.690.481.011.100.991.040.670.661.081.030.670.620.890.931.031.021.180.710.770.831.150.890.780.680.840.820.941.000.951.041.120.900.970.920.850.991.141.011.020.970.731.220.641.040.760.861.650.731.051.230.850.891.521.381.111.501.460.760.661.501.441.541.391.771.691.241.281.410.690.741.620.980.700.891.812.131.101.571.501.150.662.111.340.460.881.471.000.910.951.521.630.892.081.591.951.491.781.611.091.620.841.381.221.761.911.720.900.83
D-AspartateME8962361.621.290.510.401.001.050.970.531.001.240.800.730.600.550.801.040.451.300.801.580.630.940.670.610.571.091.200.981.041.510.960.810.730.870.930.690.930.761.030.481.561.061.100.701.180.740.890.911.590.861.130.891.200.841.090.890.940.554.400.941.631.060.960.981.011.401.150.702.111.061.020.930.980.831.700.591.600.811.110.800.817.001.870.861.140.840.881.360.641.121.520.971.021.101.461.671.080.801.151.350.861.521.171.251.140.961.221.200.760.570.622.150.660.571.541.160.761.571.180.711.371.551.051.320.701.591.050.771.010.940.610.660.891.230.791.160.900.971.520.800.620.830.961.290.790.500.681.80
LMFA08020332ME8963041.010.550.650.271.311.161.130.870.400.450.720.390.740.710.781.150.540.541.370.890.480.850.690.720.650.260.660.840.641.271.001.330.600.470.530.391.431.370.630.371.401.761.622.080.550.610.680.781.090.471.151.240.540.691.412.150.380.630.180.720.590.510.801.270.891.030.490.461.061.350.950.970.810.270.920.950.230.761.181.031.521.640.662.330.680.591.201.110.701.431.080.750.721.040.920.741.441.370.902.822.730.581.011.110.790.891.081.090.770.731.900.940.310.361.712.391.210.541.381.011.901.862.911.490.670.611.020.791.091.021.381.042.721.891.864.831.461.281.161.512.622.080.892.272.421.450.820.79
6-Methylbenzoxazole2ME8961870.040.170.373.353.220.190.080.650.100.022.273.120.730.150.070.120.855.012.040.193.500.163.820.040.140.890.341.013.600.991.291.070.240.190.022.830.682.970.133.437.339.991.593.633.052.820.070.130.120.170.150.111.423.981.535.280.453.960.040.137.051.292.301.040.870.040.321.804.250.111.262.420.482.521.370.083.224.041.020.130.100.040.500.310.090.160.060.050.040.130.480.100.550.720.400.060.080.030.150.780.130.160.100.060.050.290.080.100.070.040.910.135.933.830.100.830.070.170.190.030.120.570.111.002.360.950.010.150.170.120.070.090.051.420.040.040.140.060.150.120.060.120.520.110.680.110.671.39
IsoquinolineME8962870.970.840.940.220.841.291.210.730.940.920.850.780.801.030.711.620.830.450.871.121.321.120.811.050.881.111.490.960.921.411.040.801.080.370.840.631.230.820.820.910.880.651.060.481.280.911.051.241.431.131.000.861.300.951.221.160.790.441.271.111.091.030.950.800.811.061.081.101.111.230.960.891.260.280.971.491.150.951.201.171.050.971.211.701.310.521.221.270.971.421.031.170.980.781.161.031.011.000.031.181.061.381.031.201.311.301.130.910.971.111.110.730.370.941.071.140.881.090.960.971.161.461.101.341.571.011.050.951.031.241.201.111.161.351.421.351.231.501.061.340.971.391.191.291.301.031.110.81
Acetyl-L-carnitineME8961920.911.290.691.130.961.291.011.191.100.951.481.211.551.131.360.811.211.031.250.660.760.810.930.961.271.221.061.251.360.750.981.400.991.061.670.941.271.441.040.871.041.331.341.141.170.991.050.991.120.731.281.470.651.211.511.421.481.320.891.000.831.411.031.201.281.120.811.020.940.831.080.931.040.991.360.860.951.040.900.920.881.260.791.130.871.451.221.131.040.890.970.861.531.220.911.201.110.921.130.981.171.391.101.130.960.941.200.860.830.851.210.971.500.970.891.201.121.560.951.141.361.171.050.841.020.901.491.121.071.351.211.481.140.851.031.130.870.971.060.921.170.850.870.970.991.160.730.98
L-OctanoylcarnitineME8962980.240.370.530.590.600.472.351.600.760.720.971.011.541.841.380.661.290.330.870.360.571.091.051.051.130.480.601.160.800.530.982.391.500.781.091.271.722.960.810.760.671.281.572.130.800.821.680.921.480.661.602.050.650.881.381.540.810.840.311.190.480.311.124.760.871.240.610.791.601.062.852.281.060.581.430.900.821.650.951.691.442.010.980.450.780.972.690.980.830.611.871.341.060.880.551.113.201.940.921.802.090.712.130.490.591.363.080.591.270.741.231.500.580.560.610.881.650.610.870.831.021.531.550.450.960.341.900.681.151.052.161.032.641.031.241.260.770.511.780.640.860.480.410.391.040.720.350.51
9,10,12,13-tetrachloro-octadecanoic acidME8961912.830.501.740.500.170.650.640.470.310.320.260.520.800.245.523.400.781.490.800.580.702.220.661.671.471.073.793.342.272.361.310.304.742.801.030.891.560.791.300.760.700.810.611.480.881.191.860.770.870.650.253.001.590.462.655.570.750.240.990.630.960.940.410.290.871.850.400.380.640.182.590.331.920.200.970.850.710.912.550.680.650.220.270.190.410.383.141.270.421.272.570.357.780.431.582.984.830.250.920.630.860.731.370.640.430.870.440.412.211.110.581.320.081.041.290.322.401.031.431.966.370.911.570.551.450.181.280.820.710.390.570.470.400.310.270.730.270.400.980.250.200.160.440.180.320.270.080.08
9-amino-nonanoic acidME8961900.180.140.160.131.920.290.560.230.490.140.141.520.171.500.400.210.160.200.160.830.261.010.791.950.610.140.210.150.157.160.270.160.321.270.270.383.800.8424.110.570.290.220.160.150.170.170.170.920.150.160.890.730.160.140.140.160.650.530.310.780.150.151.048.692.260.300.192.130.710.1614.374.931.000.750.690.510.320.220.180.220.600.600.560.340.490.340.310.180.210.830.910.690.660.700.520.270.631.621.061.060.740.650.610.310.240.204.050.360.370.210.874.430.130.290.730.670.720.300.250.180.220.560.680.630.831.010.230.440.800.750.420.180.181.013.140.750.850.320.960.750.211.062.800.801.000.660.940.72
6-Methylbenzoxazole1ME8961860.961.290.810.170.181.251.481.300.560.890.330.251.290.761.820.321.250.560.530.611.661.862.870.010.330.660.810.200.950.360.401.620.861.452.420.241.700.240.970.270.571.130.370.580.930.981.211.140.762.300.361.000.211.692.604.390.230.850.381.070.821.470.160.160.050.400.450.210.510.950.480.491.290.171.222.340.660.311.231.591.431.190.600.961.132.460.401.461.601.480.651.661.001.150.612.220.350.980.680.901.780.262.461.460.580.991.461.101.130.941.393.180.011.901.571.110.803.742.341.222.030.921.271.440.221.280.420.400.281.850.650.421.331.811.142.732.080.821.100.731.452.131.061.080.840.980.890.57
HomocysteineME8962732.310.800.971.270.720.930.611.451.372.040.840.993.931.911.500.520.961.240.730.440.730.431.780.640.770.400.470.560.530.681.451.390.511.150.701.500.440.723.141.241.800.641.371.250.290.541.021.450.722.641.661.540.790.840.920.540.490.830.890.590.652.740.631.431.151.000.630.511.000.610.780.880.610.780.470.791.572.162.340.860.571.551.070.740.490.981.281.080.941.240.451.213.780.501.322.551.120.740.561.080.801.181.340.821.211.191.240.691.310.580.890.701.940.420.571.420.350.750.910.401.630.900.653.051.821.350.800.621.370.903.271.470.970.420.791.440.691.290.370.980.360.770.533.310.970.910.641.19
DethiobiotinME8962450.800.860.810.830.261.141.070.970.830.881.290.571.071.061.000.840.661.610.861.041.020.890.870.810.680.350.371.031.161.361.211.460.840.790.920.741.121.021.611.821.322.111.161.011.351.001.041.151.961.481.440.821.151.142.201.481.210.821.171.361.031.030.861.070.821.210.750.750.620.741.061.061.350.671.191.071.080.740.890.761.001.200.761.281.241.180.870.770.730.900.830.760.890.821.311.471.060.811.161.291.061.101.141.121.001.401.271.010.970.810.850.790.720.741.221.061.161.211.631.100.381.390.871.201.491.341.360.800.711.240.971.180.851.311.411.881.511.221.151.231.051.290.971.411.410.900.910.86
DiethofencarbME8962480.040.050.060.050.213.190.060.040.050.040.050.050.040.040.066.280.047.472.410.040.040.050.040.040.040.040.0518.940.050.050.040.061.310.041.340.050.040.040.050.050.050.060.060.050.050.040.040.060.050.040.040.040.040.040.050.040.040.050.040.060.040.050.170.050.050.040.050.040.050.050.040.0449.420.050.040.040.040.050.040.040.050.040.050.040.040.050.040.050.040.050.040.040.040.050.040.040.040.040.050.050.050.040.040.050.050.050.040.040.040.040.050.050.050.040.060.040.590.050.040.040.040.040.060.0571.880.060.050.050.050.040.040.050.050.050.060.050.040.050.050.040.050.050.040.050.050.040.300.07
2-methylhistamineME8961250.171.250.800.530.683.540.680.780.380.194.191.141.202.600.771.170.902.810.800.901.221.780.580.250.130.490.192.400.570.901.120.340.110.100.350.590.751.091.441.320.741.443.201.762.670.970.500.790.240.480.860.620.550.555.874.610.561.000.421.913.260.570.390.870.430.850.961.360.610.101.241.422.820.091.270.532.000.910.760.390.210.950.501.021.180.780.941.130.131.070.092.072.450.300.090.330.670.321.211.370.661.680.630.741.740.451.381.241.150.090.120.550.830.920.100.121.032.312.260.090.261.160.231.440.593.110.110.730.273.130.280.590.520.151.046.150.442.500.850.111.701.500.810.600.670.110.890.77
L-KynurenineME8962951.150.821.030.410.981.010.970.491.100.881.000.770.881.401.061.540.990.951.101.290.981.020.851.050.810.591.331.261.161.460.841.340.800.561.190.640.960.681.150.772.251.191.060.891.681.140.891.091.541.142.711.031.090.731.891.660.890.570.971.130.970.650.840.530.720.860.910.631.081.071.021.011.310.630.831.231.881.231.151.101.150.990.881.100.830.711.171.120.701.541.161.140.790.641.201.150.910.810.941.070.941.791.202.611.501.281.280.840.671.031.540.630.470.981.371.530.741.041.361.561.031.561.171.260.951.100.860.720.661.010.800.710.741.471.301.371.601.040.981.111.241.340.892.021.370.860.810.90
5-Hydroxy-DL-tryptophanME8961740.840.970.890.580.671.140.670.500.991.150.920.710.991.000.790.991.081.150.941.030.700.720.700.880.880.450.961.191.240.830.741.570.680.611.510.641.000.821.160.752.511.521.100.851.461.020.700.821.150.853.121.330.570.711.941.710.930.661.041.310.540.730.700.590.670.970.800.600.901.020.730.921.350.740.841.191.090.900.921.050.990.850.611.110.730.960.970.800.560.962.081.500.830.831.011.160.870.770.920.860.891.610.942.451.501.201.311.050.740.881.440.820.530.681.191.230.831.111.031.500.681.200.951.060.891.210.960.980.651.120.680.830.781.190.960.771.121.201.260.951.201.211.001.281.070.901.320.76
D-ArginineME8962341.541.150.880.420.490.711.231.141.131.000.920.710.480.770.811.401.010.720.871.211.370.771.221.060.680.911.081.100.811.061.300.970.870.850.921.271.000.840.761.311.010.680.770.900.720.781.551.481.491.050.600.931.161.200.830.941.161.521.281.351.131.170.920.700.600.661.041.381.320.991.341.210.660.820.751.061.271.391.311.170.701.411.361.461.370.831.411.181.621.061.061.531.000.431.241.211.250.771.420.870.960.981.011.010.971.351.561.040.751.271.390.430.671.221.450.921.561.151.430.750.931.000.831.030.661.281.121.051.101.741.660.901.061.131.481.161.541.171.281.220.981.151.471.421.481.300.801.40
5_6-Dihydroxy-3-methyl-2-oxo-1_2-dihydroquinolineME8961721.150.821.030.410.981.010.970.491.100.881.000.770.881.401.061.540.990.951.101.290.981.020.851.050.810.591.331.261.161.460.841.340.800.561.190.640.960.681.150.772.251.191.060.891.681.140.891.091.541.142.711.031.090.731.891.660.890.570.971.130.970.650.840.530.720.860.910.631.081.071.021.011.310.630.831.231.881.231.151.101.150.990.881.100.830.711.171.120.701.541.161.140.790.641.201.150.910.810.941.070.941.791.202.611.501.281.280.840.671.031.540.630.470.981.371.530.741.041.361.561.031.561.171.260.951.100.860.720.661.010.800.710.741.471.301.371.601.040.981.111.241.340.892.021.370.860.810.90
Dihydrothymine2ME8962500.661.190.590.910.841.020.811.060.730.541.350.590.911.071.470.721.051.781.050.731.031.101.430.761.040.530.751.021.390.760.971.641.131.291.280.691.311.290.910.782.042.490.871.431.091.150.891.331.170.891.241.900.551.161.682.661.071.960.541.181.191.340.610.611.031.070.710.990.750.900.840.990.941.050.850.991.351.570.570.880.951.120.451.160.921.560.960.710.960.980.891.541.101.030.631.080.801.051.250.881.120.951.591.441.250.821.621.481.281.461.421.331.390.811.281.321.291.330.970.481.131.011.030.781.121.281.160.560.631.680.850.831.041.240.991.201.071.131.441.110.860.930.880.750.871.560.780.86
D-Pipecolicacid3ME8962410.900.811.030.510.300.600.720.440.810.520.870.481.000.950.751.560.520.810.601.280.920.901.051.160.900.210.890.990.911.280.870.561.050.940.310.060.960.581.691.112.491.733.221.761.040.720.670.980.620.501.100.941.481.041.190.961.180.790.751.200.980.860.830.650.651.071.501.211.621.171.271.361.520.961.260.950.990.690.910.760.540.730.041.010.050.800.961.040.810.960.780.441.310.641.060.950.860.641.221.241.040.960.471.261.290.700.640.980.960.920.560.750.450.922.751.601.181.401.251.541.182.411.791.250.611.411.821.941.261.851.071.221.191.911.841.411.181.862.121.310.971.180.971.961.611.560.951.02
BenzaldehydeME8962021.260.871.090.600.911.001.110.601.070.800.970.830.670.910.711.150.770.720.781.221.101.200.980.950.820.841.121.201.021.491.000.850.880.601.010.661.100.711.081.001.221.010.960.891.190.720.960.821.461.041.420.920.990.761.331.260.960.791.500.961.120.730.860.750.920.911.140.970.941.051.010.851.170.680.871.081.140.881.141.091.081.071.281.471.030.701.011.531.021.311.221.061.041.081.101.041.050.891.181.281.141.200.971.220.961.721.341.180.900.880.910.970.510.881.181.321.230.961.111.381.031.431.101.181.170.700.970.940.991.291.041.011.101.291.251.491.411.231.391.371.051.080.961.361.171.131.061.05
Indole2ME8962801.270.831.040.640.900.991.170.601.030.760.940.830.670.910.721.080.711.701.121.241.011.190.941.010.820.821.071.150.981.470.970.920.810.621.150.721.120.751.140.971.131.071.020.891.150.780.920.791.390.961.360.900.970.791.261.260.940.771.650.981.130.730.820.780.920.941.140.910.941.070.960.831.140.650.871.141.090.871.071.031.131.041.261.501.080.670.951.491.021.281.141.091.061.011.011.031.050.921.181.281.121.160.931.161.041.581.281.200.910.870.850.990.550.811.161.241.160.981.121.301.451.401.071.101.120.940.970.900.971.171.031.021.101.211.191.421.301.201.371.271.040.981.001.291.151.231.071.02
2-Methyl-6-phytylquinolME8961240.460.151.620.870.460.540.250.690.580.140.520.990.472.330.470.250.151.160.191.230.500.390.782.250.792.421.722.600.441.371.090.511.441.300.910.481.440.380.460.780.221.730.240.251.090.252.960.440.180.830.500.311.650.920.531.221.760.650.450.212.210.470.460.510.251.051.562.631.130.610.750.480.550.331.960.371.730.510.443.470.740.891.618.050.820.570.130.340.661.061.500.980.351.340.610.460.640.462.081.381.850.501.041.350.441.090.481.591.970.341.260.990.230.690.480.911.351.762.130.480.422.850.440.690.560.931.472.101.620.361.280.600.551.540.370.620.520.584.732.090.464.192.760.500.152.300.970.70
3-Dehydrocarnitine2ME8961401.841.410.140.560.781.110.090.220.700.981.530.090.280.380.520.641.270.810.690.920.622.402.412.752.980.540.222.673.910.620.730.580.180.110.230.120.320.251.801.081.902.812.512.927.436.650.100.100.280.370.730.640.210.131.240.830.550.200.100.282.012.290.160.103.464.031.020.710.310.450.440.240.130.450.040.311.170.790.510.460.300.260.460.970.350.530.080.400.300.720.090.101.401.501.871.490.260.111.070.650.512.811.410.190.210.931.280.450.161.540.510.090.570.242.980.590.101.700.102.050.850.781.683.820.231.940.420.770.291.400.150.450.355.370.081.322.162.280.403.380.520.503.101.284.663.760.581.10
4-Acetamidobutanoate1ME8961600.140.090.100.190.110.120.100.090.120.090.330.730.130.111.800.450.110.220.110.441.410.100.110.270.100.300.570.130.230.130.120.670.142.750.130.420.550.520.220.136.500.920.120.121.720.110.200.100.110.340.150.203.310.110.370.480.120.240.100.390.170.120.330.120.110.110.070.100.130.530.957.152.890.127.831.610.320.510.121.040.210.270.110.610.600.290.070.111.380.340.290.100.111.670.250.170.120.110.660.720.890.660.256.770.180.390.690.470.100.130.162.000.120.100.630.6714.620.340.110.400.1310.310.510.110.120.460.102.2119.932.580.240.100.081.740.420.084.772.944.611.523.410.820.910.860.361.191.021.05
Asperophiobolin AME8961970.730.620.140.510.430.480.040.410.160.290.050.500.340.331.320.510.731.470.121.780.250.281.250.810.860.331.520.460.380.590.810.450.352.000.130.370.140.231.080.521.625.740.920.170.843.361.057.240.661.010.610.890.520.720.620.790.070.710.7311.400.322.460.390.520.307.763.242.380.610.660.170.490.930.200.512.110.430.580.830.740.260.100.252.100.851.390.650.440.350.140.321.060.040.280.880.570.903.300.070.951.381.200.210.030.070.641.391.932.730.191.912.220.290.660.260.690.280.800.270.061.891.050.310.240.660.080.090.300.130.240.630.060.190.960.750.230.460.430.431.810.194.500.831.870.210.261.700.87
Indoleacrylicacid1ME8962820.990.851.030.580.891.311.240.801.060.960.890.840.871.100.731.810.820.490.951.201.401.201.271.060.901.231.421.051.001.461.090.821.080.780.900.001.220.870.910.890.000.741.151.171.290.911.031.301.581.240.900.921.351.051.261.300.810.581.351.171.110.941.030.860.981.101.161.041.161.251.080.911.600.801.041.521.251.011.201.231.171.101.271.701.320.561.341.271.081.561.101.171.050.881.181.081.191.060.001.171.141.440.001.171.341.321.230.970.961.111.190.790.451.051.091.150.871.241.021.061.341.561.181.281.570.001.251.030.001.311.231.131.241.361.451.471.321.511.161.340.001.491.251.261.361.160.890.88
Coniferonic acidME8962240.350.110.700.380.360.250.300.450.410.250.460.520.080.740.410.430.250.760.230.640.130.320.410.810.360.960.630.560.350.560.480.220.700.920.570.280.770.280.430.360.240.650.250.290.460.380.720.170.210.230.410.340.780.510.470.510.690.190.380.310.720.290.330.290.200.420.600.840.540.460.520.300.320.290.590.320.590.390.310.870.290.320.721.450.440.390.250.210.160.530.560.400.170.660.480.110.100.150.680.690.710.320.410.510.240.140.140.650.860.150.360.400.060.440.290.440.680.560.750.170.250.660.340.410.141.260.660.860.530.370.620.140.220.740.060.410.270.291.960.700.310.920.960.410.240.865.360.59
Naphthalen-2-amine2ME8963461.230.851.080.620.961.031.130.591.070.810.960.840.680.970.701.150.750.780.781.281.051.250.980.950.840.781.121.211.011.520.940.860.810.591.090.711.100.721.101.041.221.060.970.891.220.740.960.821.491.041.400.961.000.831.331.300.960.731.601.041.130.730.860.730.950.911.120.910.991.060.990.851.230.690.881.131.120.891.121.051.061.031.311.511.070.671.021.531.031.321.141.071.031.041.051.011.080.881.181.281.091.190.951.230.961.681.311.160.910.870.880.920.480.841.241.271.220.981.111.351.021.461.141.151.170.940.990.900.971.221.011.021.061.281.221.501.331.171.321.330.971.020.921.311.211.191.071.03
1-Pyrroline-4-hydroxy-2-carboxylate1ME8961051.241.170.760.441.441.260.450.350.810.450.950.920.690.350.551.500.512.941.041.100.370.630.400.610.272.041.191.370.811.350.950.790.650.741.570.660.900.501.230.451.681.210.510.340.650.300.800.560.880.680.850.660.940.701.280.970.860.431.850.570.980.960.860.500.810.590.620.400.430.420.620.491.680.911.101.091.470.460.780.410.692.091.301.150.950.600.361.100.451.731.090.640.740.550.970.910.520.410.780.460.331.240.541.020.841.040.780.730.550.670.720.941.260.751.240.700.720.720.710.590.621.120.600.390.560.591.300.620.590.890.390.270.360.470.440.530.560.460.730.320.520.370.341.110.300.172.761.45
2-methyl-4-hydroxypyridineME89612323.420.330.350.403.291.260.350.290.410.320.420.440.460.350.430.440.360.460.430.320.490.360.360.450.360.380.380.420.350.430.440.340.430.380.460.440.400.430.430.480.401.620.460.430.440.4011.1810.450.380.330.430.340.420.450.450.490.410.4112.630.380.430.490.440.450.410.390.410.430.470.360.370.380.460.460.424.460.420.460.400.340.309.090.260.490.300.350.250.390.350.280.360.370.310.300.320.520.400.4312.810.300.352.090.410.260.372.490.330.240.340.400.250.400.440.350.450.260.360.270.380.360.430.320.330.360.4610.770.340.370.360.250.250.340.240.530.300.290.230.350.320.263.630.220.290.300.240.270.621.65
Cyclo-(N-MeVal-N-MeAla)ME8962311.530.812.071.490.854.590.491.001.601.312.130.964.231.210.691.060.410.502.482.822.901.691.401.171.751.072.351.002.331.071.392.002.401.721.771.202.081.041.540.461.451.011.571.191.061.623.811.881.511.401.080.900.961.211.381.671.170.262.651.150.821.430.900.910.381.801.681.202.112.393.104.332.050.540.971.131.190.931.843.521.060.200.200.170.210.170.230.291.810.190.210.200.220.210.241.400.631.050.290.290.220.210.200.260.380.210.210.610.211.020.250.261.501.960.190.210.200.210.230.300.280.220.200.171.080.300.270.210.180.190.220.890.750.230.270.240.200.200.230.210.510.190.190.230.310.191.040.25
D-OrnithineME8962381.141.130.720.410.391.230.810.680.930.600.500.540.870.930.770.920.930.780.840.781.110.711.081.000.860.540.701.000.961.582.111.560.971.110.610.461.351.200.951.491.031.131.001.380.930.741.011.150.921.121.021.820.810.641.671.700.680.751.011.561.041.670.610.640.461.010.941.171.671.030.720.680.620.861.191.751.261.121.051.271.011.060.862.851.110.980.830.921.610.940.531.101.060.751.221.461.190.801.081.010.640.770.800.741.940.661.760.820.751.082.090.870.610.801.221.150.932.481.460.460.971.371.221.180.730.991.120.860.932.491.481.101.081.041.021.241.301.391.171.371.391.401.061.751.501.390.761.27
2_5-DihydroxypyridineME8961111.651.621.271.080.771.131.401.691.221.180.360.760.640.531.631.081.891.400.791.371.161.021.310.711.130.370.950.440.591.540.430.660.621.381.051.051.251.311.480.640.601.130.971.310.871.421.571.541.461.460.870.420.490.720.420.621.291.400.990.750.981.960.971.120.931.091.310.741.471.390.991.330.830.761.031.241.241.681.491.470.521.091.121.940.921.231.871.031.440.780.570.471.440.401.711.201.671.420.620.501.591.301.291.711.421.601.571.261.370.530.830.511.171.221.781.641.362.091.730.981.331.801.211.161.241.881.651.211.561.970.650.581.341.490.910.480.730.831.380.791.441.271.631.631.941.860.240.53
4,8,12,15,19,21-tetracosahexaenoic acidME8961711.210.770.960.240.391.080.540.230.140.720.550.651.871.293.940.350.441.330.620.771.653.183.230.110.430.811.100.390.761.461.040.520.571.440.290.140.280.250.811.331.837.440.290.691.540.770.610.380.875.711.111.160.480.560.931.400.201.270.020.144.140.830.520.300.210.360.810.331.590.630.280.370.420.680.461.610.680.590.4621.020.600.820.161.720.560.320.533.224.691.460.430.880.220.581.280.720.561.410.490.710.410.070.430.610.103.460.460.531.040.461.501.870.351.531.220.360.890.802.690.101.011.350.420.780.260.330.140.310.320.660.680.270.532.870.470.861.190.200.400.330.760.900.571.450.270.270.740.87
3-Hydroxy-2-methylpyridine-5-carboxylateME8961461.271.381.010.600.841.961.440.161.070.122.390.740.101.300.170.973.761.583.720.540.321.730.582.001.060.841.381.971.441.912.890.630.540.461.240.501.320.302.223.471.760.361.032.432.551.490.570.550.840.981.311.870.570.744.314.681.080.250.250.851.480.241.160.270.631.561.150.491.470.401.060.302.140.420.720.242.450.630.810.130.920.190.440.420.461.190.280.690.641.090.831.001.141.240.550.520.520.710.541.700.534.860.130.230.491.331.351.030.261.161.500.140.450.970.750.460.600.671.090.260.600.921.000.601.021.860.821.630.560.840.680.900.421.460.861.440.462.661.330.210.830.490.820.870.561.560.870.74
8-Amino-7-oxononanoateME8961890.800.651.600.981.212.341.542.001.851.861.351.161.660.990.481.011.110.531.090.350.381.141.330.961.030.520.812.132.251.982.201.440.360.341.181.040.711.011.641.910.870.961.531.220.480.591.211.840.940.571.901.130.460.681.321.361.301.022.050.541.261.540.862.141.031.020.741.382.161.150.840.761.090.911.131.011.061.341.340.861.142.410.900.650.760.631.221.060.902.740.570.661.530.841.391.771.691.211.071.150.781.411.480.660.553.123.170.821.130.961.670.911.871.090.720.190.760.990.640.810.640.320.321.012.081.440.060.300.670.921.091.310.760.121.170.830.880.601.320.400.730.460.200.710.400.350.591.28
[FA(16:2)]N-hexadecyl-ethanolamineME8960950.350.290.390.380.560.620.240.250.410.470.270.310.690.440.440.360.320.260.360.500.170.450.270.310.390.890.320.300.360.420.330.360.260.450.380.260.380.260.470.560.640.540.330.190.480.250.130.360.420.700.730.130.370.340.550.580.240.341.510.490.410.390.280.400.440.920.550.240.150.410.440.450.340.320.490.160.550.370.180.420.171.030.170.440.450.710.170.420.150.330.630.630.130.440.490.460.220.530.110.360.490.580.710.480.610.310.250.360.490.330.970.810.220.240.420.130.211.190.380.250.511.840.560.220.280.180.510.220.390.310.100.160.320.170.550.330.310.340.161.130.450.100.170.260.420.355.630.62
3-Vinylaniline2ME8961570.890.090.910.300.770.731.200.611.080.820.711.400.760.180.650.860.751.470.291.761.422.010.280.700.780.211.822.111.572.411.500.881.140.261.861.182.280.900.590.260.491.971.341.351.300.830.991.242.500.601.430.991.260.971.581.461.541.051.890.241.810.681.081.051.470.301.631.491.810.990.971.011.401.020.071.081.641.532.051.980.850.781.780.201.100.671.611.960.181.240.330.481.331.310.121.281.700.130.821.021.491.540.810.070.992.221.761.460.830.320.191.030.080.982.181.061.711.000.171.230.920.382.251.291.511.201.070.860.610.700.260.980.201.550.901.310.182.051.831.880.720.821.330.091.081.010.870.45
4-Acetamidobutanoate2ME8961611.071.810.480.690.680.720.110.470.450.570.820.490.960.890.840.801.172.141.720.571.110.560.820.800.700.660.681.421.511.131.051.140.460.651.771.460.101.041.871.392.622.391.241.321.141.110.561.020.790.971.232.530.821.471.952.370.861.421.141.711.331.020.610.760.661.040.841.501.140.830.530.662.461.050.801.021.310.960.670.600.670.570.932.130.871.770.660.500.750.980.250.360.440.550.720.790.460.740.750.981.041.230.761.061.020.741.240.680.350.410.981.131.360.920.901.410.432.141.180.480.780.970.740.982.211.861.371.420.692.011.091.350.921.370.671.941.661.191.501.340.971.821.861.850.931.400.831.30
2,5-Dimethyl-3-hexyne-2,5-diolME8961330.470.470.310.600.200.730.180.180.020.380.480.020.250.2419.070.270.340.320.280.230.430.760.830.780.500.120.161.261.250.300.450.180.030.620.200.070.250.350.430.341.920.381.521.591.831.020.190.200.150.130.330.490.090.110.630.550.240.190.060.151.030.720.110.130.561.000.360.410.210.110.220.660.510.311.200.240.440.210.250.200.120.140.010.310.150.300.030.170.250.210.100.090.270.320.550.560.090.110.190.230.161.000.840.290.190.210.300.120.110.510.420.330.190.071.040.1535.430.350.130.650.330.170.520.050.150.720.180.010.650.420.120.220.161.050.180.590.750.8517.690.660.240.281.290.011.141.092.210.27
LMST01110017ME8963050.660.800.732.111.170.490.950.560.770.351.751.910.451.040.471.500.882.002.050.320.700.530.931.580.740.910.372.200.891.591.661.351.861.171.491.461.192.141.232.291.422.392.483.101.751.010.600.410.580.351.231.571.171.911.321.372.601.840.541.402.030.902.562.192.320.690.972.711.870.481.000.511.082.471.580.311.353.020.620.280.660.490.280.280.160.710.140.270.120.520.590.530.420.540.140.250.140.250.110.060.580.500.510.730.390.180.090.250.760.560.551.171.870.841.120.110.700.280.490.240.230.440.290.420.980.670.661.220.610.290.530.100.100.650.180.060.180.620.600.100.210.120.860.070.140.611.911.42
Dihydrothymine1ME8962490.740.800.210.510.180.640.200.730.251.950.450.211.470.191.410.451.020.670.560.400.790.240.364.291.020.110.400.501.580.631.591.400.250.360.670.620.420.880.616.632.451.050.911.540.461.240.270.463.682.420.310.620.743.040.902.640.522.870.791.080.232.920.462.170.361.620.500.410.234.990.236.031.980.881.141.030.180.561.121.580.180.600.140.620.331.430.390.330.471.170.941.240.290.550.610.470.561.230.022.060.534.111.430.291.970.290.513.550.911.052.851.590.510.530.900.820.531.361.330.470.410.471.081.042.580.361.070.590.220.900.212.671.871.391.812.590.720.290.530.701.162.480.703.091.010.610.640.28
Actinozine AME8961930.678.140.201.731.510.860.181.230.340.541.780.350.831.549.410.093.311.450.810.310.400.110.121.292.690.910.361.322.880.300.422.872.310.463.751.780.732.692.610.170.990.950.440.740.662.290.280.290.510.381.790.590.111.160.750.518.542.790.400.610.574.000.511.070.430.830.350.210.290.640.410.510.361.300.700.140.844.640.451.570.140.521.431.360.312.810.360.220.240.730.350.314.081.370.333.580.380.350.220.200.431.160.561.350.630.040.340.180.310.071.560.921.310.200.271.490.471.210.490.450.610.190.300.200.230.260.290.760.182.060.230.680.610.240.110.300.061.390.810.590.470.080.340.120.112.111.030.50
AkodionineME8961942.730.680.910.250.841.240.590.850.510.320.310.690.531.091.120.320.501.160.711.081.160.741.320.360.820.230.510.881.960.631.641.180.290.830.610.810.430.812.390.541.561.470.890.870.550.352.522.120.471.792.232.950.671.270.621.210.890.461.130.220.980.791.070.261.482.160.761.820.420.361.010.610.490.290.492.350.741.390.581.792.951.521.241.200.200.370.580.590.611.090.970.560.910.821.081.420.670.780.641.211.840.832.310.731.790.472.230.850.791.580.910.520.580.871.041.031.401.901.170.791.700.650.730.730.311.440.490.910.331.540.630.430.851.280.491.440.490.411.390.931.051.261.620.801.291.491.331.20
LotaustralinME8963061.620.771.711.211.240.410.970.780.321.281.100.630.410.310.311.150.851.171.401.881.590.671.160.964.282.750.951.721.152.982.171.260.960.800.430.330.701.131.590.703.021.091.171.481.931.731.291.301.301.850.691.021.440.861.522.050.860.910.952.041.130.230.460.700.401.121.250.981.010.881.370.651.370.610.500.901.601.650.951.021.120.530.410.950.840.500.600.530.490.560.690.990.320.381.200.290.681.080.631.070.990.260.460.641.031.030.620.900.991.000.530.680.591.262.100.421.400.271.190.712.056.151.341.141.971.890.420.510.450.630.460.280.401.831.091.071.881.370.981.380.861.191.051.580.971.120.641.18
3-Dehydrocarnitine1ME8961390.280.090.141.230.220.050.030.030.080.150.701.950.270.022.440.460.050.120.200.390.720.060.271.350.890.730.180.150.130.291.390.460.203.680.383.430.371.270.210.544.171.212.690.661.230.320.160.140.200.570.170.036.490.254.810.460.270.250.110.310.040.340.170.020.030.070.240.250.320.410.361.390.950.463.440.770.260.730.211.850.110.150.050.503.490.130.480.102.270.040.200.080.141.740.960.230.090.080.570.250.290.080.701.081.200.050.030.700.020.210.281.020.470.100.921.452.980.430.140.270.434.860.330.740.860.060.920.885.890.950.490.400.051.060.560.085.472.680.461.531.750.440.760.510.570.772.631.61
BenzocaineME8962030.840.651.760.390.710.601.490.531.341.131.291.080.431.320.820.811.011.071.031.531.511.841.340.590.510.981.761.271.142.891.580.710.780.380.811.050.740.601.041.391.080.941.020.931.390.910.790.711.771.351.290.911.250.511.091.130.530.421.230.781.030.890.800.801.140.900.791.031.601.390.680.671.081.231.301.140.900.881.861.310.640.671.370.661.180.721.140.790.711.180.750.820.730.710.710.840.830.661.061.280.810.880.801.250.601.921.861.210.481.001.080.510.480.531.280.530.901.111.501.511.521.681.721.560.591.011.260.471.091.460.790.610.720.791.181.531.311.140.830.980.780.590.800.781.170.811.211.37
2-MethylserineME8961270.991.121.100.821.140.751.010.841.091.020.930.820.701.661.751.231.111.321.041.331.300.850.801.210.860.710.820.830.651.911.291.010.640.590.790.881.171.081.581.781.250.881.051.090.810.771.391.221.120.771.451.101.230.970.881.051.050.961.001.441.070.731.120.740.530.590.651.011.360.841.301.430.860.860.940.931.811.641.391.271.091.361.041.301.000.651.580.720.991.370.881.140.910.661.161.221.410.763.241.071.060.580.741.280.951.461.220.920.950.841.070.700.700.980.871.261.270.881.630.630.571.400.951.350.871.250.900.941.071.101.930.861.331.031.391.241.341.011.020.661.011.261.181.190.920.660.811.31
3-Dehydroxycarnitine2ME8961420.020.540.771.400.100.660.020.420.080.190.110.160.910.080.164.710.051.360.570.030.260.020.370.440.190.090.4624.060.390.280.270.260.630.540.060.330.780.383.143.076.319.121.470.840.070.210.050.800.200.180.500.640.042.490.470.690.170.430.300.771.220.310.150.170.120.350.270.430.551.450.240.020.040.522.410.440.270.050.490.310.150.190.011.230.020.680.020.020.510.070.020.060.330.230.080.460.020.021.130.200.640.570.490.200.270.020.100.014.932.050.691.300.111.880.160.580.250.080.020.020.021.290.470.0224.9426.420.130.610.022.340.163.210.210.190.410.450.220.550.221.440.020.500.200.270.200.670.310.35
3-UreidoisobutyrateME8961551.191.231.140.930.660.961.101.291.000.940.990.721.250.951.320.961.281.131.101.051.170.730.971.050.960.680.870.960.881.201.141.240.951.030.740.960.970.991.170.980.900.871.061.110.931.051.251.371.251.281.011.020.951.131.151.261.081.141.251.090.911.460.961.130.761.091.101.101.121.161.081.110.851.041.061.071.071.461.151.241.191.831.021.501.031.011.580.841.161.411.001.141.181.071.331.631.411.051.471.311.410.961.171.341.141.371.391.091.031.101.540.970.910.951.411.501.251.781.561.081.041.491.180.970.931.511.301.071.181.611.561.161.191.301.521.351.451.291.111.411.231.081.331.291.481.320.281.02
N-Acetyl-D-glucosaminateME8963221.260.401.150.671.100.910.450.640.610.841.221.050.951.051.840.961.031.130.581.220.980.980.870.900.790.861.281.861.980.820.771.881.131.091.000.611.971.851.380.561.301.351.270.790.830.951.691.691.540.801.500.690.700.431.441.221.381.742.052.090.660.600.801.320.991.290.830.680.600.721.361.741.710.291.331.261.942.161.221.401.121.560.651.690.650.341.000.970.261.561.510.581.341.001.081.361.350.851.331.271.671.192.112.390.941.510.631.491.480.870.651.920.791.221.150.931.411.410.601.731.380.541.350.751.091.100.641.050.770.310.850.300.920.800.890.410.950.471.151.240.731.560.670.361.390.410.641.08
Nitrosporeunol DME8963491.300.871.720.940.520.791.160.870.870.441.010.940.511.011.551.310.471.480.990.820.741.541.550.680.260.600.891.190.871.330.461.350.890.781.731.021.241.321.571.231.631.251.161.311.051.160.660.560.901.001.401.050.870.721.462.060.640.540.720.751.240.410.550.610.781.010.710.251.720.761.000.661.300.311.211.630.801.151.401.432.451.541.030.980.700.591.400.850.411.130.690.521.321.130.920.720.850.672.031.741.440.740.631.561.291.120.810.910.321.091.371.420.380.831.930.201.860.972.680.950.721.511.551.650.841.071.991.241.271.340.821.031.061.261.051.341.301.751.112.151.481.680.862.241.151.340.681.19
2_6-Diaminoheptanedioic acidME8961121.011.090.990.520.850.870.420.331.010.831.920.670.961.272.251.511.372.201.561.171.360.660.751.190.930.750.481.541.542.401.531.310.560.562.240.952.151.482.891.651.591.790.981.191.321.000.350.551.461.192.692.120.220.832.943.501.311.761.142.041.101.020.770.690.860.860.881.141.360.861.401.362.630.911.300.891.451.611.001.540.911.180.011.500.230.950.850.690.960.560.740.870.800.410.851.060.910.521.250.790.920.550.631.060.671.641.060.750.880.680.900.581.420.680.591.400.611.171.220.700.682.160.871.162.351.270.650.730.691.880.821.070.561.200.621.941.261.121.140.651.130.531.163.900.790.520.260.97
3-HydroxycyclohexanoneME8961493.603.300.620.540.150.700.160.340.400.170.980.430.601.050.120.680.511.531.580.450.600.761.020.320.380.331.841.300.710.571.000.570.360.240.951.350.650.301.610.841.091.401.041.130.860.610.360.330.342.390.580.980.480.421.651.771.290.950.600.860.981.365.510.910.570.690.945.852.560.791.301.780.660.742.401.171.150.872.510.930.320.650.130.890.440.380.310.611.321.701.031.051.491.290.810.390.700.751.750.641.341.431.472.120.921.160.280.540.290.710.481.390.300.650.920.740.930.870.940.482.331.991.260.791.191.170.320.350.291.350.350.574.260.290.594.210.750.385.020.280.650.960.551.510.620.560.961.20
21-DeoxycortisolME8961352.061.100.410.880.093.291.390.780.090.191.950.170.100.460.3013.590.543.3211.831.151.850.500.960.114.480.140.090.090.560.332.130.090.100.151.462.480.410.390.670.632.700.190.400.220.730.150.110.410.191.530.520.560.200.092.290.680.300.321.280.320.640.090.360.292.412.540.550.881.704.220.240.170.491.670.530.350.140.220.180.260.280.840.261.490.230.180.160.130.160.400.400.740.288.441.600.210.132.242.691.130.3311.460.260.130.770.112.100.250.512.150.400.430.540.181.510.560.160.240.110.360.130.340.300.290.340.480.110.210.360.470.182.290.361.741.110.720.4010.750.680.352.310.331.220.500.500.320.450.32
Malyngamide HME8963080.201.230.071.840.540.750.120.620.231.170.340.720.370.491.580.670.700.710.440.700.490.460.560.551.241.300.210.361.130.460.612.700.091.503.713.510.431.240.261.047.1112.511.110.590.762.110.332.481.411.230.621.290.101.112.114.211.722.990.971.640.413.090.251.260.752.700.871.340.611.390.240.791.290.390.461.800.981.030.620.480.970.610.182.102.032.690.390.290.190.170.572.620.191.080.601.161.362.510.240.650.440.360.410.190.920.680.531.621.310.411.101.080.450.600.252.930.291.580.180.090.580.580.230.882.980.220.230.540.180.540.680.200.631.460.340.660.560.391.290.300.701.820.541.980.810.190.790.99
CholinephosphateME8962210.980.621.161.350.611.101.121.121.010.910.710.631.350.750.831.361.111.351.061.051.521.101.531.080.780.770.610.410.551.511.350.931.161.021.430.781.411.020.900.901.140.430.381.300.680.741.130.880.960.771.011.161.130.991.181.320.690.841.090.631.121.360.790.761.091.270.690.851.431.090.710.841.370.801.261.400.421.361.100.701.050.900.911.690.710.580.940.331.320.960.801.150.820.800.680.931.411.160.480.630.980.461.090.711.290.850.780.760.781.120.990.970.511.121.230.701.061.001.480.711.261.061.030.770.801.111.300.451.300.530.741.700.870.961.021.230.970.960.660.690.670.870.950.921.080.671.660.73
1MVRME8961101.120.921.150.601.020.890.850.400.960.961.310.870.921.471.010.911.030.891.061.300.981.090.970.990.820.541.401.291.281.641.020.620.880.670.600.710.930.801.320.932.271.291.050.821.681.101.001.471.471.162.791.141.141.011.911.601.020.611.141.230.380.500.890.530.790.530.740.621.171.011.111.151.380.710.861.271.781.151.131.121.220.850.971.160.410.891.141.070.781.340.651.060.530.641.101.110.940.820.951.131.031.731.012.571.481.351.330.910.241.061.880.610.251.051.541.651.031.221.161.410.491.551.261.380.891.190.770.590.691.060.820.650.431.821.131.351.710.980.980.511.131.200.522.011.620.920.890.95
5alpha-androst-16-en-3-oneME8961800.290.850.530.230.250.300.240.320.870.310.480.660.261.891.100.200.400.220.221.081.993.141.410.540.424.043.310.541.800.340.280.560.270.320.250.212.841.240.450.350.220.330.410.571.840.550.210.220.630.480.570.200.582.602.491.701.430.560.920.211.292.841.220.510.230.360.260.370.520.750.240.582.190.250.320.270.600.811.201.560.810.801.502.802.070.910.392.142.530.761.081.132.391.930.220.240.861.051.271.891.571.851.460.440.500.320.360.520.270.401.211.380.241.090.222.280.432.571.551.940.942.131.240.990.330.276.020.930.220.201.120.214.381.650.842.342.250.760.221.810.750.620.422.422.620.681.011.10
LinamarinME8963030.341.151.171.070.771.090.830.680.850.901.430.841.280.511.511.021.251.391.691.011.370.620.830.820.750.480.891.932.001.651.341.600.770.820.950.851.131.111.221.132.811.941.351.362.571.590.901.102.412.301.021.280.911.312.853.131.641.270.271.360.711.150.680.671.241.190.660.830.850.890.900.901.440.831.451.171.311.271.181.050.861.050.701.670.450.850.741.171.200.970.730.781.301.070.881.030.760.820.660.770.771.301.100.810.961.021.160.900.801.030.920.870.801.050.940.801.031.811.101.100.611.271.171.071.510.831.570.580.491.350.581.740.690.990.941.101.031.170.890.931.290.941.051.281.631.210.490.95
Butyryl-L-carnitineME8962131.030.890.590.550.691.260.910.860.460.331.560.490.901.811.760.910.500.910.710.340.281.011.110.430.760.511.251.051.242.221.491.220.770.891.970.321.430.891.151.332.454.120.920.861.080.730.650.430.610.341.021.410.580.661.981.690.820.981.020.800.650.500.610.640.520.470.690.671.240.680.610.691.580.771.021.100.800.520.410.681.241.930.650.910.620.620.701.120.690.870.861.410.730.640.640.530.660.870.770.790.821.531.591.230.982.732.030.870.901.300.730.620.590.841.320.741.240.771.340.861.871.655.260.791.441.191.320.450.581.901.280.860.561.211.273.011.250.800.800.841.211.080.602.331.891.160.991.23
Creatine1ME8962261.150.681.450.430.661.891.570.571.600.551.511.010.411.800.671.090.582.141.921.100.521.741.541.210.651.521.811.650.441.350.790.401.031.530.620.451.780.541.721.870.690.621.280.421.530.301.491.461.040.372.122.150.860.642.862.410.950.810.900.581.700.820.830.450.740.521.251.291.831.411.451.700.660.782.061.161.310.540.570.441.271.180.851.261.220.681.231.220.881.510.861.201.670.791.800.650.550.400.000.580.451.160.511.520.561.341.491.000.531.290.581.010.521.141.330.360.850.380.860.671.430.831.330.980.381.230.641.801.391.002.100.750.530.270.510.730.460.741.720.321.720.701.570.870.210.651.100.42
Curvularide BME8962291.180.850.720.250.721.051.060.820.660.750.770.430.770.830.480.550.690.370.930.810.690.900.680.790.770.380.640.650.480.660.861.310.610.390.360.211.441.011.230.391.811.851.391.570.710.650.480.571.340.601.111.140.410.731.511.940.510.530.520.740.440.470.710.520.811.090.630.680.711.140.810.660.920.320.750.630.580.600.900.821.311.401.161.081.200.912.290.860.911.031.500.981.552.011.150.781.211.471.391.992.461.151.251.360.921.231.301.070.711.271.780.970.340.381.162.721.200.521.232.062.262.072.231.580.980.741.761.650.611.201.271.582.012.551.832.751.591.031.431.772.731.722.352.003.041.700.680.59
N-arachidonoyl D-serineME8963240.571.070.840.340.410.891.530.990.980.600.760.821.611.270.990.910.590.510.450.550.511.180.610.860.840.251.600.800.650.390.441.401.320.671.060.311.481.181.620.630.921.400.690.970.800.570.960.961.920.921.080.750.660.941.331.381.451.040.520.690.310.280.710.740.430.810.680.661.331.400.850.491.300.281.111.180.921.130.560.791.381.241.080.870.741.693.821.090.470.980.880.801.220.990.790.832.641.422.231.371.611.391.561.751.670.540.841.030.801.231.211.220.270.551.022.131.720.321.322.280.741.641.200.580.910.532.522.000.892.071.471.351.642.502.632.231.031.522.701.811.131.290.930.851.971.150.690.63
Asperophiobolin DME8961981.131.360.110.620.300.540.250.720.210.180.350.270.560.322.060.360.721.510.010.960.440.631.890.481.330.390.690.710.350.470.750.700.262.000.320.430.110.251.080.590.642.951.180.492.002.180.974.280.830.921.231.260.340.230.600.640.090.410.595.000.531.620.130.780.266.073.162.280.590.470.420.610.530.140.301.830.330.401.100.910.020.150.161.690.651.293.400.820.360.200.452.340.030.820.780.371.065.910.140.390.710.450.080.220.081.081.601.674.320.172.442.110.630.570.300.920.590.660.380.051.471.560.190.170.650.120.130.220.140.351.110.120.630.540.500.260.170.180.591.060.271.510.691.680.140.292.151.23
L-Isoleucine1ME8962920.890.751.010.531.111.341.160.621.230.881.240.840.721.261.241.070.751.120.731.170.951.210.930.880.921.451.141.120.961.320.880.690.660.551.500.660.950.631.130.870.910.710.720.751.040.590.920.711.320.910.810.771.060.891.701.290.980.621.231.051.160.831.030.680.790.830.840.740.940.831.190.931.430.580.881.041.240.910.820.910.940.981.661.421.580.841.121.650.881.611.241.081.250.831.041.241.090.700.961.261.021.480.961.080.841.531.291.140.800.761.030.890.680.791.101.170.921.421.191.111.961.801.161.021.281.211.281.100.911.261.110.950.901.151.131.561.431.060.951.120.901.050.941.561.250.911.091.00
N-Methylnicotinicacid1ME8963300.040.160.0114.780.020.040.030.010.010.010.170.010.010.010.0140.350.010.990.150.020.010.010.100.010.010.010.190.020.050.010.030.010.020.030.010.050.010.300.140.061.2330.490.250.190.020.020.020.010.010.010.110.140.030.010.081.780.010.010.010.040.020.120.020.010.020.032.060.080.230.050.020.010.010.020.170.060.020.010.010.010.010.010.010.340.010.010.020.000.280.020.010.010.260.010.010.010.000.031.430.037.690.063.810.010.010.040.260.010.010.720.0016.050.010.150.0110.740.020.010.010.020.290.120.010.0317.360.010.021.710.010.950.016.490.010.020.130.100.010.013.910.140.010.010.041.290.020.020.270.14
3,5-cholestadien-7-oneME8961580.490.800.400.661.541.141.091.641.120.970.430.750.601.282.571.480.220.941.061.271.361.610.750.700.562.761.490.810.841.261.331.591.420.771.421.410.290.570.270.343.272.680.380.430.540.450.720.361.161.002.721.231.420.912.562.381.681.290.370.571.452.440.300.573.381.861.001.150.820.230.750.981.010.850.480.792.462.151.430.491.712.400.984.170.820.980.891.050.750.960.790.391.391.100.520.891.561.070.940.680.671.140.671.860.920.310.441.000.760.420.610.830.651.160.950.991.041.790.830.360.310.820.660.480.410.281.540.910.810.400.480.811.251.371.040.921.170.601.040.241.180.620.340.251.641.250.881.04
N-oleoyl L-serineME8963320.631.330.560.420.521.041.611.160.990.760.780.711.642.012.030.351.110.390.580.500.531.170.820.791.260.530.560.890.870.350.632.251.040.761.010.511.191.390.770.220.701.260.941.330.960.761.090.811.730.541.541.160.731.771.341.281.691.130.220.510.340.340.511.680.491.090.560.560.610.960.910.750.520.370.720.720.881.050.771.661.321.971.080.540.891.643.350.950.610.631.160.732.051.440.511.053.021.732.162.122.272.162.541.330.940.541.260.600.851.061.301.450.510.350.661.831.810.461.261.761.201.371.060.410.440.432.702.201.101.491.421.522.141.401.601.430.790.801.661.221.270.741.960.561.611.470.650.71
Creatine2ME8962270.900.491.210.480.961.501.400.421.360.341.911.410.411.600.411.280.643.422.660.910.701.151.401.220.461.561.121.970.481.810.910.390.840.920.910.501.780.681.892.650.940.841.410.491.670.291.411.250.970.291.881.991.050.762.742.501.000.860.910.581.830.880.910.400.820.371.171.702.171.001.541.880.820.882.111.021.630.680.530.301.081.260.711.570.770.461.160.940.651.150.601.071.300.481.280.910.530.291.680.640.461.010.601.530.801.561.500.720.391.030.470.710.681.051.110.350.780.390.880.420.891.221.080.750.451.490.631.081.031.041.890.630.440.240.500.650.600.641.260.281.300.831.430.710.230.481.190.94
NoroxymorphoneME8963505.590.470.520.580.640.520.511.110.510.530.570.450.480.450.380.520.420.770.530.540.640.650.550.550.440.480.551.470.690.611.081.150.433.571.030.631.280.475.410.531.091.900.582.710.560.503.219.560.510.492.951.770.380.420.550.800.470.530.660.560.470.660.470.500.781.362.511.900.430.550.430.360.560.420.550.506.403.360.471.441.750.490.550.580.560.440.530.640.450.660.520.510.630.730.500.520.530.800.540.933.780.650.430.541.900.701.310.450.431.731.090.530.410.431.440.560.910.570.550.711.430.572.940.600.691.380.470.440.540.560.700.500.550.820.510.580.690.460.480.510.590.440.460.560.492.801.280.74
Aspewentin AME8961991.050.980.760.240.330.320.420.630.610.310.440.680.361.841.950.170.380.120.310.681.381.510.761.130.794.363.391.431.670.410.190.150.630.260.130.152.371.490.640.180.080.080.430.531.140.580.240.260.580.530.290.131.662.471.501.110.740.560.240.231.631.591.360.770.490.470.270.310.590.720.430.341.260.350.230.310.780.551.701.820.640.491.053.181.031.170.532.191.980.701.091.211.941.420.300.161.341.181.562.452.451.771.220.430.470.640.440.770.390.210.671.560.231.660.292.410.441.590.951.900.762.131.460.690.260.454.011.971.510.781.520.651.992.020.942.113.020.990.081.651.440.820.652.792.981.191.171.03
2-OxooctadecanoicacidME8961300.590.220.980.550.740.920.440.340.600.300.910.890.141.760.430.930.201.560.401.370.150.411.072.650.761.341.160.730.432.311.460.511.441.271.090.261.370.461.091.050.621.500.820.440.710.680.970.190.360.340.930.732.181.540.580.661.580.640.290.871.470.660.550.630.590.932.031.610.671.460.890.300.760.920.961.011.100.460.370.530.590.592.461.611.201.520.300.470.571.811.360.571.291.270.780.571.280.141.291.931.130.940.910.890.830.220.771.314.460.460.580.730.130.490.790.691.851.291.440.690.351.690.991.150.290.871.053.961.360.691.510.180.622.890.460.710.510.484.341.830.861.513.200.750.082.331.341.10
4-hydroxy-3-(3-methylbut-2-enyl)benzamideME8961651.391.041.561.150.931.461.141.121.871.591.230.660.832.091.480.761.381.702.441.371.491.361.641.140.910.681.001.721.321.632.091.901.010.910.960.681.171.030.291.431.981.921.031.071.191.100.730.690.800.920.412.140.710.962.542.330.990.690.831.091.091.150.860.581.111.170.811.200.690.261.270.950.891.622.291.691.311.371.001.621.011.050.691.150.491.030.800.831.100.851.191.191.121.340.971.040.950.591.700.651.041.131.191.061.090.431.290.850.881.461.711.250.921.080.880.890.900.400.790.570.820.841.650.780.560.240.761.150.940.360.640.920.301.341.010.680.220.930.290.351.790.751.580.931.420.800.670.98
Dibutyl sebacateME8962470.190.251.320.600.740.930.250.620.390.240.621.220.801.380.230.700.241.680.271.500.860.660.804.510.421.221.561.860.601.610.720.380.980.890.490.821.190.650.480.580.381.700.410.430.410.361.780.750.270.340.570.211.940.800.581.031.410.730.770.361.830.350.520.510.430.811.152.631.290.620.760.820.940.570.770.941.780.390.611.460.680.262.396.051.200.940.110.551.121.071.260.730.701.530.650.791.100.791.030.941.380.420.941.160.750.720.831.342.220.370.830.880.390.310.180.291.431.572.140.830.722.350.650.790.961.391.132.561.620.411.681.030.942.680.630.600.540.374.952.400.763.153.570.100.162.231.050.76
N-(2-methylpropyl)-2-methylbutenamideME8963180.711.110.680.751.970.750.430.560.621.150.701.620.681.730.391.111.311.100.751.020.940.420.371.760.820.590.950.300.605.260.460.630.811.960.650.863.450.3617.750.450.070.380.500.670.610.700.550.350.710.560.370.290.710.720.660.540.890.200.770.360.610.601.416.472.070.470.592.571.080.8610.403.900.410.300.280.410.390.430.600.660.440.260.240.140.380.480.440.550.540.320.980.280.600.320.380.101.181.460.390.380.320.290.450.510.490.503.380.400.290.410.354.680.601.350.334.551.310.350.480.590.401.010.330.270.320.401.970.190.410.480.710.570.290.382.891.440.690.370.170.470.531.272.770.470.470.400.860.37
CellocidinME8962171.120.871.010.560.780.981.000.660.910.920.990.790.981.040.810.550.630.780.620.840.681.010.680.930.861.091.140.980.711.010.900.590.960.700.990.751.390.850.680.590.800.551.060.801.110.610.840.961.380.720.781.090.990.861.581.450.730.511.311.031.120.811.280.680.870.961.300.731.011.471.130.670.860.670.830.660.930.520.840.841.113.771.611.841.070.791.391.351.000.861.090.901.631.261.161.270.830.771.581.331.151.711.221.051.230.911.101.820.960.980.940.880.670.711.311.790.892.301.150.610.842.081.570.990.851.821.201.181.051.231.690.791.231.381.131.181.592.440.891.271.140.930.743.581.841.070.840.83
D-Pipecolicacid1ME8962391.020.871.090.700.861.021.210.821.280.910.980.840.831.151.080.980.851.991.191.241.120.840.990.890.841.191.010.980.842.610.990.880.950.830.940.810.990.771.171.351.680.790.951.001.050.761.131.041.360.860.850.960.930.971.141.160.951.201.431.101.250.930.880.580.670.721.051.000.900.711.400.961.040.920.961.802.091.590.930.791.231.131.141.010.961.261.031.040.861.260.951.051.060.851.521.340.880.681.521.011.101.081.161.201.061.331.221.100.901.011.082.040.970.951.251.800.920.831.130.781.401.331.040.911.131.381.221.020.891.911.200.930.791.081.031.081.081.021.060.930.960.900.951.061.150.930.840.88
CapryloylglycineME8962150.570.981.571.680.550.250.650.791.691.040.970.911.211.020.201.570.990.250.950.320.471.301.300.941.111.071.291.981.841.631.651.241.241.140.810.251.131.240.971.452.133.061.280.860.630.501.411.351.180.651.351.520.750.911.571.551.001.151.050.521.060.100.811.110.450.830.971.213.522.530.700.981.900.910.211.571.201.411.090.941.011.150.600.611.010.522.031.061.031.050.190.840.940.420.970.991.201.331.491.051.291.291.270.990.431.551.610.401.330.591.251.150.411.300.340.221.071.320.391.311.260.550.320.732.011.560.150.281.221.240.731.340.630.152.981.061.741.091.520.680.240.670.250.920.190.430.911.71
Echinenone/(Myxoxanthin)ME8962560.470.361.690.420.580.751.170.641.130.121.140.690.210.470.273.230.380.800.470.470.530.190.622.900.861.090.201.160.171.581.600.404.592.321.360.282.210.922.152.171.180.874.013.471.420.520.850.191.470.081.991.281.311.330.971.721.320.940.570.731.210.412.301.181.580.833.003.406.492.960.970.380.720.961.200.411.251.170.660.440.590.100.350.960.080.850.210.680.270.451.010.931.140.290.110.200.720.440.070.441.620.150.790.511.110.500.190.570.681.440.080.810.280.392.060.431.650.871.731.260.481.591.921.470.261.874.483.751.150.550.941.260.241.181.120.140.183.863.200.730.760.131.340.150.993.760.480.44
5alpha-cholesta-8_24-dien-3beta-olME8961810.951.651.411.270.550.540.770.991.200.612.831.370.521.950.971.601.581.670.600.350.510.791.171.241.021.721.363.020.681.111.631.662.951.350.580.741.671.701.771.660.601.701.241.621.480.270.480.591.310.701.712.041.101.321.881.922.191.252.440.611.371.272.211.661.321.231.181.721.160.600.670.550.690.833.210.341.302.810.820.740.640.150.430.420.211.630.330.890.680.510.620.860.620.680.260.490.700.500.220.141.110.441.080.210.680.420.450.571.690.660.430.782.341.211.480.141.730.461.350.840.730.290.270.670.601.221.571.611.310.450.360.560.500.520.390.340.270.441.740.510.380.111.440.120.491.271.090.63
Ecgonine1ME8962541.561.781.291.300.891.380.980.971.241.011.120.931.270.990.630.871.130.951.260.420.581.551.891.321.111.040.811.731.711.411.491.450.590.641.110.821.051.060.951.381.481.601.281.031.010.860.820.960.760.541.191.450.881.071.801.930.971.190.930.751.051.071.031.410.980.770.991.691.140.681.111.371.401.141.521.071.991.981.491.500.811.250.470.790.630.651.061.081.091.330.850.931.020.920.961.091.020.951.391.041.361.091.161.070.901.451.650.560.501.041.341.091.100.980.730.450.920.840.720.830.761.110.520.701.511.260.290.740.970.930.861.210.700.351.210.961.330.481.040.701.110.740.641.410.880.310.871.65
2-Diethylaminoethyl methacrylateME8961170.911.211.541.970.691.030.610.532.082.000.861.191.620.880.252.301.290.300.230.680.320.961.041.201.060.250.531.531.391.201.330.680.830.830.351.071.351.270.711.312.652.442.882.320.370.252.893.300.850.701.781.530.420.770.801.010.311.061.250.281.140.720.420.720.620.440.801.673.982.940.440.600.520.361.851.440.931.920.781.000.511.550.910.430.850.462.250.860.841.350.510.680.700.440.811.031.360.641.100.931.281.561.591.721.331.631.750.830.930.571.560.830.960.860.680.321.240.850.630.470.640.600.841.001.321.720.180.381.230.630.951.780.520.221.800.600.840.952.970.761.150.290.310.210.531.210.801.60
hexahydrophthalic anhydrideME8962680.220.570.300.240.260.381.748.923.940.310.530.250.200.850.290.220.570.280.240.210.190.260.200.840.230.190.230.510.236.000.420.230.230.230.300.251.730.253.300.230.730.290.280.400.240.460.340.310.260.2215.340.380.530.424.641.770.240.220.200.280.270.260.250.250.620.530.250.220.280.260.810.222.280.380.240.190.260.250.220.270.270.211.050.310.210.200.240.230.400.870.250.680.820.8311.580.450.520.220.370.470.440.790.480.234.820.950.214.680.211.283.740.261.540.221.300.891.040.311.591.160.200.440.570.250.330.232.180.450.240.310.200.212.781.051.001.877.233.251.260.580.750.482.382.265.873.470.670.89
Imidazol-5-yl-pyruvateME8962771.101.111.180.930.941.130.740.770.881.341.450.821.171.021.041.141.292.051.670.981.150.941.140.890.760.711.001.561.781.171.311.870.970.841.871.011.551.191.571.231.801.531.121.191.561.550.790.891.241.141.731.760.901.122.182.051.321.210.921.670.981.180.881.051.141.250.970.910.830.951.071.051.490.881.181.171.311.431.021.070.560.940.631.320.511.030.680.860.890.950.660.910.981.071.001.280.440.820.940.920.991.271.160.920.590.600.340.971.050.800.881.041.071.281.090.841.281.431.040.760.641.071.011.081.191.001.020.940.601.220.710.810.701.060.750.921.101.050.980.871.151.171.381.030.950.940.740.84
N-(3-hydroxy-octanoyl)-homoserine lactoneME8963201.252.170.451.411.111.260.601.430.690.782.800.821.431.451.710.231.410.690.820.320.520.510.491.431.661.650.601.262.020.761.152.681.950.435.561.121.491.822.620.391.171.471.071.051.342.000.520.451.180.401.490.760.321.352.021.395.461.660.731.230.661.230.931.240.681.020.490.680.560.760.951.091.140.921.470.340.791.640.681.350.601.101.240.380.591.631.240.860.520.490.930.643.061.630.461.310.660.660.630.610.841.991.451.511.010.470.830.390.510.391.050.821.200.510.591.581.300.660.781.190.900.931.270.480.760.473.641.270.671.720.661.541.261.390.541.170.571.151.160.811.720.370.470.280.651.730.510.58
D-AsparagineME8962351.140.901.060.700.710.941.100.880.980.980.820.921.290.941.041.010.850.890.881.381.280.810.961.160.910.730.830.910.711.591.260.800.800.920.880.760.970.951.211.110.940.781.161.170.940.751.051.131.471.131.020.921.101.031.201.360.850.761.381.181.131.130.890.830.741.031.221.341.441.581.121.350.840.750.901.201.011.251.031.291.121.701.072.351.040.971.331.081.271.501.101.160.981.011.311.461.471.031.741.251.261.051.011.551.311.451.371.081.161.051.151.030.580.911.531.661.341.401.960.920.791.981.271.671.041.541.211.161.301.982.091.251.711.811.541.591.791.541.271.421.121.491.611.941.611.400.081.11
HistamineME8962711.360.660.980.390.420.921.070.801.151.150.900.160.640.941.040.910.451.050.991.321.280.880.090.720.850.890.970.820.311.180.670.890.740.830.810.650.970.711.051.161.210.671.060.890.990.891.231.161.171.161.000.651.091.101.351.450.880.791.361.121.101.011.030.930.620.881.041.041.221.190.831.010.810.370.901.090.850.931.161.170.800.580.590.960.471.061.440.721.070.701.061.201.170.581.211.181.341.111.591.321.340.931.121.311.080.641.411.020.550.671.241.300.581.031.290.850.691.291.420.711.021.781.291.340.701.201.171.001.081.391.621.149.941.581.561.131.651.301.331.431.150.811.901.811.681.270.790.92
2-MethylnicotinamideME8961260.490.420.401.341.970.701.500.270.980.231.682.440.051.310.231.364.321.151.650.560.821.010.612.150.580.721.071.841.182.893.410.310.220.071.190.990.400.580.827.035.011.152.083.283.381.780.330.460.250.280.500.852.370.831.892.111.410.960.071.252.290.503.260.491.850.690.341.952.660.241.990.640.960.790.960.262.831.700.650.180.620.380.370.610.400.440.320.640.290.390.460.510.810.360.470.290.700.540.010.970.762.720.050.880.541.131.050.550.200.920.730.140.640.980.550.570.401.850.350.191.030.950.721.181.531.910.480.700.561.321.071.020.461.400.420.790.350.580.450.390.540.771.981.120.450.610.981.19
L-HistidineME8962901.160.940.860.640.540.831.000.810.941.050.800.590.640.810.950.890.750.870.841.111.040.750.900.870.800.821.020.700.601.190.880.810.660.720.690.610.860.631.020.921.010.970.940.850.890.831.081.071.131.050.810.770.941.041.171.290.790.781.181.050.980.940.960.920.560.840.970.871.031.150.830.900.760.710.770.990.880.851.021.060.991.171.081.591.110.871.330.980.981.140.921.081.051.101.071.131.231.021.441.191.310.821.091.211.011.351.261.010.990.901.171.040.480.931.421.431.171.251.310.881.021.631.221.330.751.241.130.941.071.271.481.008.801.511.471.141.521.261.331.411.031.431.691.651.481.190.870.95
L-Isoleucine2ME8962930.800.721.000.701.091.131.000.771.160.971.230.900.941.281.511.200.911.170.861.310.941.150.930.941.051.491.151.031.001.160.850.860.810.721.440.780.950.831.150.980.860.760.710.801.070.641.160.811.251.050.920.751.090.891.371.191.080.861.141.151.121.231.090.750.790.840.840.610.890.851.251.021.430.630.911.021.231.170.860.820.951.061.731.261.560.881.161.510.871.581.351.180.980.751.081.451.070.650.871.330.921.540.950.800.931.341.191.070.880.761.130.881.200.860.921.100.951.331.170.742.151.711.000.981.141.241.190.910.831.071.060.790.830.991.131.421.371.040.931.010.881.090.881.431.120.901.051.05
N-(3-hydroxy-dodecanoyl)-homoserine lactoneME8963190.601.820.800.952.041.521.071.630.321.560.981.191.750.592.770.941.451.451.550.670.390.470.690.660.370.220.881.140.461.411.370.531.320.351.451.431.530.761.540.841.691.330.831.740.990.500.490.470.530.430.730.871.121.561.532.250.461.170.571.041.010.870.941.671.090.940.911.181.071.361.440.271.010.780.740.950.770.761.080.451.582.012.730.930.310.323.191.130.490.810.741.192.790.581.080.311.880.600.811.231.690.370.580.470.431.120.541.090.690.990.720.461.290.631.261.280.761.052.462.111.002.041.060.850.691.430.840.531.221.400.992.810.842.980.891.951.131.260.881.041.251.131.131.300.900.620.720.76
Maniwamycin BME8963102.510.730.200.240.280.370.130.281.100.420.980.740.442.130.410.242.120.130.110.224.760.540.920.140.252.331.160.121.030.280.140.820.782.340.590.400.170.260.151.217.304.070.140.230.470.610.142.100.110.120.431.690.170.220.721.250.881.520.290.580.651.550.770.660.110.131.910.771.373.503.881.461.451.530.251.170.140.131.971.621.271.193.460.310.431.470.180.871.843.420.130.160.170.161.380.990.311.290.161.280.380.210.440.140.140.121.997.270.190.761.361.321.751.873.130.260.321.431.080.330.180.160.150.120.450.120.260.150.160.330.190.087.142.945.815.020.540.301.440.520.640.090.230.090.070.080.951.72
N-hexanoyl-homoserine lactoneME8963271.171.241.641.340.741.340.981.051.281.041.170.891.430.810.640.871.250.601.020.180.291.822.161.251.171.140.742.132.221.181.261.720.590.590.090.841.101.051.091.171.531.551.240.990.850.710.830.870.980.651.421.750.841.122.442.461.051.231.530.821.191.171.111.480.840.690.981.500.990.661.081.322.060.951.781.161.922.051.531.570.831.300.640.710.890.471.161.331.301.150.760.851.101.050.801.061.061.041.411.051.421.181.241.160.951.741.990.440.410.891.071.081.110.830.690.361.131.000.870.920.520.990.500.622.141.450.210.890.851.140.851.450.750.241.401.081.680.451.250.641.130.690.341.160.490.270.721.39
5-Methylthio-D-riboseME8961771.161.040.920.310.540.450.600.760.760.971.010.200.490.890.760.970.880.330.991.100.370.860.920.940.870.710.841.331.210.880.901.390.690.751.010.421.120.991.340.551.561.160.630.521.140.920.720.751.511.271.020.580.960.741.471.331.000.830.861.210.630.690.740.700.751.060.690.650.711.070.950.921.290.641.031.290.740.850.790.991.121.251.101.881.120.871.460.400.831.470.800.381.151.331.190.990.880.691.801.631.161.490.891.911.051.291.371.860.980.701.400.950.551.010.932.041.302.451.221.270.522.021.301.211.200.251.141.100.672.731.461.061.501.571.542.132.201.571.282.091.532.271.151.691.551.230.831.18
Bohemamine FME8962093.621.691.070.210.632.560.350.810.330.251.180.010.041.581.150.450.440.260.970.910.921.366.061.791.260.200.170.240.151.181.280.120.312.600.360.240.952.251.101.030.660.901.022.771.512.090.411.750.450.500.662.211.622.520.480.800.810.150.600.140.500.940.040.010.090.410.103.490.050.440.170.420.230.170.971.150.160.250.312.770.340.120.200.010.290.420.710.851.750.260.430.300.731.254.235.270.280.550.261.210.410.730.710.503.211.853.080.240.254.790.730.410.690.241.451.221.011.330.170.350.410.087.352.350.060.800.672.590.165.140.291.400.231.630.530.590.372.070.670.621.462.790.281.435.324.920.540.68
5-AcetamidovalerateME8961730.831.610.320.260.760.820.150.420.640.870.810.841.410.861.131.191.760.300.131.551.890.290.810.220.390.251.680.791.120.510.160.800.901.530.230.770.520.522.491.733.3416.630.130.130.611.380.541.810.530.740.902.110.502.861.502.810.863.300.232.150.284.570.441.050.102.311.020.651.111.411.110.761.071.730.221.320.380.630.990.850.481.220.900.672.422.120.611.040.581.120.130.660.170.150.541.350.151.000.530.530.161.101.040.820.690.211.321.410.510.331.823.411.482.931.520.570.393.420.820.381.770.160.150.121.180.281.370.210.280.280.300.491.870.950.921.920.230.201.770.370.400.330.360.570.260.350.791.32
7alpha-Hydroxycholest-4-en-3-oneME8961880.970.351.360.401.070.700.300.140.720.341.092.240.181.450.123.030.424.262.391.730.501.220.660.990.192.884.285.220.351.460.520.5311.391.820.460.722.560.173.811.151.541.940.280.750.550.152.450.681.281.300.520.903.430.633.161.990.640.201.570.920.740.186.880.861.020.841.120.211.520.590.140.191.170.333.000.440.940.650.230.450.410.384.452.350.580.401.341.110.241.340.670.601.100.790.650.270.440.200.360.100.630.420.440.580.170.190.181.490.630.331.020.320.330.960.821.100.730.434.500.431.420.880.220.300.990.661.750.882.020.450.290.280.170.600.140.330.190.491.970.770.631.381.130.350.251.230.490.89
2-EthylmalateME8961181.321.051.610.652.031.150.821.090.750.701.021.030.920.690.600.650.630.810.570.830.621.000.760.710.633.721.000.630.490.760.600.700.870.605.401.610.680.681.120.590.730.400.710.670.540.671.121.200.770.630.840.630.450.530.810.720.460.561.720.600.640.540.700.740.780.960.860.430.750.900.540.483.780.660.650.660.870.520.740.651.121.735.570.941.710.901.335.440.572.310.720.751.490.591.441.511.670.951.091.270.701.591.650.820.642.191.691.001.030.751.170.321.460.690.960.951.100.681.440.8614.820.690.831.420.611.930.850.750.561.121.370.811.500.610.711.591.000.810.690.940.600.800.770.970.811.040.320.91
3,6,9,12,15,18-Hexaoxaicosane-1,20-diolME8961590.080.062.042.121.231.301.231.031.030.971.041.131.311.202.411.641.151.711.491.221.271.681.231.501.351.291.051.711.611.601.581.061.821.641.721.231.511.601.431.330.111.422.161.791.381.641.531.511.251.121.300.031.481.191.862.141.621.081.001.641.681.431.491.131.421.691.110.061.291.212.171.411.721.341.411.281.451.691.761.401.141.050.960.011.050.011.661.371.071.241.661.022.581.451.492.222.250.991.411.501.801.701.961.151.251.281.250.151.701.191.091.340.891.261.691.691.991.201.261.281.861.911.751.242.020.020.010.030.040.010.020.020.010.010.630.010.000.030.010.000.010.010.030.040.000.000.120.06
Dinotefuran-metabolite-UFME8962510.910.721.080.792.201.661.210.791.250.891.391.470.821.311.161.060.751.271.001.141.041.240.981.091.171.621.201.201.081.540.930.770.790.701.351.021.070.941.151.090.920.910.920.871.140.531.101.051.170.811.010.830.970.821.501.170.940.671.041.031.360.681.120.711.300.820.880.711.110.901.080.961.470.801.180.861.280.830.890.680.840.921.621.001.180.840.991.680.641.901.111.171.390.701.201.360.990.670.851.270.961.591.000.870.831.851.541.090.850.700.990.731.060.840.980.900.841.091.170.852.331.340.921.071.241.491.271.090.911.051.330.740.780.940.921.861.060.990.770.830.931.050.811.311.100.780.910.94
2-Methyl-1,4-benzoquinoneME8961220.531.950.290.320.410.400.250.930.260.191.260.371.430.180.630.290.741.040.280.230.370.371.480.600.650.110.190.402.560.611.580.640.230.850.320.500.620.853.771.901.451.801.452.540.350.330.430.640.410.211.172.310.140.350.920.440.190.511.760.500.881.430.500.121.120.162.840.991.790.541.390.536.080.640.060.371.430.710.180.572.132.230.321.420.990.330.170.830.721.160.160.660.120.500.190.850.480.300.231.380.730.140.500.790.950.5510.210.190.362.440.610.210.920.140.924.692.440.840.360.970.892.152.720.930.164.540.050.230.160.280.431.250.476.180.480.931.192.581.060.880.490.610.272.540.171.521.270.77
5-Nitro-o-toluidine1ME8961781.231.241.150.570.951.821.340.201.050.272.140.830.131.090.210.943.141.473.240.490.281.650.541.940.940.791.352.001.421.882.930.570.470.381.220.501.230.272.233.381.710.371.082.542.291.500.530.440.810.961.201.540.570.593.814.140.950.240.260.901.740.171.320.240.681.421.070.521.340.351.200.281.680.720.690.252.590.640.830.150.880.440.770.350.550.990.380.780.571.200.840.971.351.420.690.510.460.551.192.100.567.810.260.590.511.301.451.280.251.011.670.130.380.880.770.620.580.741.090.270.640.951.100.691.081.690.771.400.480.830.810.790.551.400.721.600.562.060.660.230.810.570.751.230.671.270.840.92
Gly-Pro(Glycylproline)ME89626713.791.112.470.490.650.490.450.440.450.630.420.410.500.460.450.470.420.630.540.590.510.560.470.490.530.630.490.470.510.600.890.510.500.400.990.520.510.511.420.545.133.230.440.480.580.530.450.480.460.480.450.410.640.421.0410.690.530.450.520.520.560.470.580.490.530.750.500.4112.340.510.490.440.710.510.490.470.510.460.650.490.480.500.550.480.470.490.480.450.641.020.581.750.480.530.480.480.480.500.520.670.510.500.420.540.460.420.450.480.480.530.470.490.480.520.460.460.430.450.950.531.530.460.440.560.490.440.440.450.620.460.450.512.340.490.610.460.870.460.6710.122.470.512.571.810.490.401.163.71
3-Methoxy-1-methyl-4(1H)-quinoloneME8961510.260.210.310.520.470.210.140.560.090.160.710.070.540.330.440.330.390.540.370.840.600.440.860.400.150.231.110.130.120.220.080.720.171.650.821.130.970.560.520.440.210.510.781.180.480.070.310.190.630.150.490.892.640.390.180.241.600.980.140.170.830.421.280.080.400.085.790.711.161.121.810.610.590.760.390.960.800.871.410.522.081.130.592.400.350.590.701.101.000.840.500.521.130.790.481.040.550.510.762.573.060.170.541.404.510.690.791.160.290.671.360.870.700.250.833.970.611.580.672.040.202.331.775.310.110.630.801.200.791.520.993.100.902.172.921.551.708.442.157.690.862.280.717.401.462.150.760.87
N-(3-oxo-hexanoyl)-homoserine thiolactoneME89632112.3112.840.070.080.540.340.070.070.070.070.080.060.070.060.050.160.060.1117.500.070.090.090.080.0819.770.070.080.100.070.0828.370.070.060.060.925.370.080.060.061.920.470.070.070.050.080.070.720.870.070.070.430.080.050.060.087.120.070.070.090.080.070.060.070.100.080.090.060.070.060.080.060.050.080.060.270.650.070.080.060.120.070.070.160.080.080.410.070.090.060.090.070.070.0724.792.9612.740.070.060.070.080.080.090.060.070.080.100.090.060.060.050.080.070.090.060.080.080.080.080.080.2312.980.080.070.080.090.190.070.060.070.080.100.070.080.080.070.080.090.060.070.070.060.060.060.080.070.080.080.07
Betaine2ME8962051.000.781.060.852.061.441.200.881.250.911.341.440.921.301.021.100.661.200.850.971.111.251.121.091.111.421.121.131.171.340.850.780.860.801.091.031.100.971.081.010.860.790.930.911.160.561.041.091.030.790.990.931.080.861.431.110.960.671.041.191.240.881.020.861.230.880.910.660.940.911.191.141.360.771.210.871.190.830.890.740.900.771.470.911.110.901.061.430.761.671.131.181.330.761.141.241.010.810.931.280.981.481.070.830.841.761.441.110.990.831.000.841.070.870.930.920.800.991.130.831.921.280.901.071.021.331.161.060.961.011.260.790.710.910.871.761.070.950.760.820.850.980.881.241.070.860.970.96
CymoxanilME8962331.880.220.260.220.880.261.580.430.250.260.240.240.260.220.490.260.250.810.240.250.260.210.230.250.220.240.241.782.510.773.380.870.240.710.650.250.700.241.911.930.651.834.541.461.421.181.081.680.350.221.432.540.220.240.260.820.250.240.892.680.280.260.260.250.230.240.251.230.260.240.920.370.290.250.330.200.351.310.240.790.730.141.820.210.850.620.160.610.414.410.470.221.091.042.770.310.680.291.411.811.7615.960.220.821.800.865.110.150.220.242.830.180.270.222.043.741.140.181.210.664.970.284.710.470.250.870.220.230.213.010.160.350.163.680.191.050.360.200.641.450.220.910.500.210.150.791.282.07
MorphineME8963170.381.171.100.930.080.060.350.320.330.031.691.141.321.490.112.230.160.581.661.040.710.100.110.950.360.850.620.390.025.061.470.090.100.020.552.681.820.271.400.833.680.540.520.220.110.081.931.920.060.130.752.281.180.490.400.600.100.120.100.213.362.100.960.840.130.064.466.063.382.152.380.450.610.563.620.700.110.041.560.331.730.910.581.800.890.030.630.960.091.800.680.200.640.383.090.230.600.131.320.791.070.160.090.280.752.050.453.101.310.651.051.111.190.080.062.050.790.181.870.680.571.020.891.142.451.790.480.070.960.702.472.990.053.031.670.784.040.991.795.380.140.501.303.491.270.410.670.95
N-linoleoyl dopamineME8963290.411.130.075.220.440.480.431.700.371.650.440.490.700.320.580.720.852.941.210.030.531.220.900.190.730.480.060.910.780.400.785.180.010.462.931.410.300.990.010.571.993.780.950.851.482.740.392.772.700.521.331.330.010.163.7311.161.351.530.340.460.590.650.400.291.020.251.921.860.912.380.630.870.900.250.401.061.452.840.960.430.470.490.310.600.992.510.010.010.210.172.557.360.251.850.411.410.721.930.041.071.320.020.421.500.500.430.432.141.700.580.690.460.290.880.312.760.630.460.540.300.220.530.430.272.870.570.250.560.131.050.440.490.470.550.500.410.340.790.870.650.472.160.241.560.341.120.861.02
(2R_4S)-2_4-DiaminopentanoateME8960840.800.850.870.850.791.310.940.601.000.731.020.701.360.900.991.050.761.551.391.170.700.900.950.810.540.660.560.940.652.041.180.880.660.880.580.781.381.011.020.931.311.551.101.130.670.571.251.370.860.771.561.540.860.771.601.650.810.941.331.051.381.510.590.600.581.010.820.771.321.041.091.120.840.791.361.411.631.241.061.080.961.200.821.510.750.990.980.980.961.560.890.900.931.211.191.710.660.641.531.020.851.050.901.261.271.311.301.101.010.881.451.590.760.630.981.400.721.241.320.641.092.021.510.560.881.150.890.640.971.490.920.730.500.850.921.050.930.910.630.661.060.690.661.440.870.811.221.04
Naphthalen-2-amine1ME8963450.950.820.990.520.881.261.200.751.000.930.840.800.851.060.711.810.800.460.911.181.421.191.221.020.861.191.371.000.961.421.060.781.030.750.870.631.160.840.840.870.890.721.131.171.270.860.971.241.541.200.840.901.331.041.231.210.770.531.301.171.100.901.020.840.891.071.161.021.131.181.060.871.520.781.001.521.191.001.151.211.121.051.201.591.210.501.281.220.991.461.031.110.980.841.130.981.171.020.931.101.071.341.021.121.291.251.160.890.931.041.120.750.411.021.061.090.821.150.970.991.271.461.131.251.491.101.200.951.121.221.131.051.161.331.381.361.201.441.121.300.981.351.191.191.321.110.900.83
AtenololME8962000.180.170.190.1815.790.210.180.170.190.170.230.200.210.200.220.210.190.200.200.170.160.190.180.180.190.210.210.210.230.180.170.190.200.1769.590.180.210.210.190.170.190.210.220.210.200.170.170.160.190.260.180.200.170.200.250.230.230.220.180.190.170.2213.070.190.210.180.180.180.210.160.210.180.210.180.230.170.190.200.180.150.190.220.190.200.190.190.190.230.170.180.200.160.190.180.170.210.180.150.170.200.170.210.190.180.170.210.190.160.170.160.190.170.230.180.170.1934.830.220.180.180.240.220.180.180.194.050.200.170.170.240.180.200.190.170.170.190.180.190.170.170.180.170.150.180.200.170.173.84
26:6(8Z,11Z,14Z,17Z,20Z,23Z)ME8961360.560.660.490.490.880.460.441.061.011.760.811.232.711.214.570.591.201.040.761.090.911.270.921.111.341.251.190.941.561.521.551.540.550.511.781.250.710.790.710.593.314.190.280.401.292.000.730.661.731.434.141.610.580.520.281.571.331.380.650.660.882.040.480.662.251.800.640.530.590.700.490.851.901.140.621.442.322.511.450.561.302.330.982.750.711.740.950.970.651.000.910.340.641.020.601.031.140.970.470.900.551.570.711.550.851.141.411.482.230.361.412.391.741.530.580.570.731.820.450.330.670.490.420.600.810.220.560.670.140.420.710.301.131.120.470.630.740.342.420.301.021.310.720.360.640.450.690.71
DodecenoylcarnitineME8962530.611.130.640.300.540.791.510.960.840.920.810.661.351.881.710.381.220.410.710.780.731.130.750.731.220.390.601.061.000.450.582.260.710.450.770.431.161.290.820.311.011.550.771.421.060.941.150.681.570.781.431.150.470.861.591.461.240.840.180.520.420.360.541.110.571.130.460.480.660.931.120.600.600.340.630.820.961.130.821.631.531.791.220.721.061.613.401.170.700.781.360.861.491.540.720.972.911.472.042.312.212.222.781.190.900.921.730.820.671.011.531.530.470.350.651.681.640.661.281.501.461.421.300.570.490.522.822.051.191.452.061.622.381.691.491.981.140.661.541.531.430.991.950.871.921.320.520.72
CaffeineME8962142.080.020.540.271.450.061.090.190.050.040.191.030.060.000.580.200.010.450.020.620.280.040.030.000.050.271.300.160.310.173.430.930.024.121.070.200.160.042.891.411.384.100.660.510.300.253.573.090.500.070.330.170.330.080.010.130.220.250.750.601.834.040.280.000.010.120.051.480.050.091.410.760.000.010.080.293.981.861.051.820.530.201.250.000.470.090.020.681.220.890.350.030.120.102.280.392.810.182.950.710.5012.400.020.491.110.492.760.120.130.156.530.000.020.031.003.892.110.000.250.585.080.301.091.170.000.060.000.140.011.140.131.150.014.650.000.910.820.003.192.290.021.990.670.100.010.361.891.30
3-Methyl-quinolin-2-olME8961520.970.880.960.610.851.361.210.871.100.960.450.670.801.070.691.880.910.440.951.131.461.251.380.940.881.241.450.990.771.391.140.831.130.750.630.670.670.720.970.920.930.671.071.091.280.941.070.991.531.540.840.841.371.091.381.210.780.591.351.231.160.971.030.630.911.031.051.011.241.131.070.941.800.820.921.541.290.971.151.161.181.101.161.571.230.261.271.300.961.561.111.230.980.921.091.081.111.080.991.021.081.330.621.061.311.291.160.971.001.021.120.750.461.061.041.070.831.210.551.211.271.491.091.341.561.121.240.621.231.331.191.121.231.421.371.421.311.401.001.221.031.391.151.101.331.200.860.65
3-Indoleacetic AcidME8961500.801.160.690.660.711.010.800.990.580.671.290.301.910.450.590.720.661.090.875.211.291.380.970.181.070.470.790.440.820.630.621.490.230.300.980.830.450.560.920.600.761.180.481.161.112.640.410.070.820.991.421.560.962.871.060.891.124.980.150.171.131.000.320.320.370.310.900.620.600.420.740.870.521.760.700.670.871.790.260.821.111.470.571.063.431.260.760.840.850.640.420.700.930.880.590.950.371.001.010.810.842.710.571.372.221.041.090.740.901.090.971.530.690.910.970.510.553.191.140.540.590.931.181.100.780.630.550.410.241.321.802.040.461.031.862.021.070.856.421.111.070.651.001.261.070.571.121.02
Cyclo-(2-hydroxy-Pro-Gly)ME8962301.221.271.151.010.700.981.121.311.020.971.010.781.280.971.350.981.311.171.121.081.210.770.991.100.980.700.890.980.911.211.161.270.971.060.771.020.991.041.201.020.930.921.101.160.971.091.251.351.281.291.021.010.971.151.161.271.101.161.281.120.951.451.001.130.811.131.111.131.171.171.141.130.871.091.061.091.111.471.181.241.141.641.011.470.991.021.460.851.131.341.001.141.161.021.261.561.361.031.371.261.370.961.141.271.111.331.341.051.031.081.480.980.920.971.381.431.251.701.521.071.041.411.150.971.001.491.291.061.171.541.501.121.141.281.471.301.411.261.071.361.231.051.271.241.421.290.291.01
FAHFA (18:2/15-O-18:2)ME8962630.520.391.660.841.150.650.450.440.840.270.811.730.373.500.840.870.351.360.631.050.340.701.032.230.932.621.681.560.761.731.560.942.391.782.810.681.991.061.330.890.471.480.180.321.560.772.220.430.380.441.380.641.671.090.691.322.490.860.790.672.140.791.301.010.490.661.222.121.050.801.510.620.840.721.000.512.000.990.631.770.570.642.193.011.180.940.300.600.321.711.381.020.621.040.600.520.750.501.331.331.500.700.881.050.510.820.371.161.400.560.870.700.140.790.610.752.141.612.320.540.591.630.540.830.631.111.392.751.170.461.490.210.301.350.570.630.540.763.591.620.742.022.680.340.121.690.720.90
MethylimidazoleacetaldehydeME8963131.510.430.210.090.520.520.601.010.230.120.300.420.531.100.070.230.301.021.070.270.480.101.070.860.180.160.221.550.882.013.960.500.461.230.510.540.540.340.260.911.841.942.733.070.210.331.619.040.430.441.692.250.450.420.280.460.350.300.410.920.961.311.050.560.801.141.412.810.450.611.581.120.230.630.791.221.350.830.701.600.820.340.720.140.310.520.070.900.721.321.550.640.440.671.101.430.751.920.230.691.490.130.421.132.550.491.190.280.242.932.470.290.210.831.101.020.590.600.660.322.541.424.370.150.201.950.451.040.803.700.400.790.931.680.660.430.641.031.380.560.991.250.960.670.702.181.331.41
Elaiomycin LME8962570.110.110.060.820.040.040.040.040.040.080.610.930.090.041.410.940.040.070.080.472.910.040.041.730.280.920.160.050.070.050.100.270.583.980.220.220.851.170.120.265.840.630.100.062.430.080.170.060.510.820.030.031.760.170.050.670.050.070.030.190.050.520.350.030.040.040.600.320.090.590.944.093.910.814.952.100.100.440.041.320.110.030.030.390.580.040.620.032.020.040.220.040.211.970.030.040.030.081.480.220.320.100.115.552.020.020.030.320.030.240.682.820.030.082.633.143.301.090.100.870.0410.470.550.030.180.071.282.297.681.870.110.440.042.852.620.215.923.141.012.932.291.022.511.042.641.511.620.96
3-Hydroxy-2-methyl-4-pyroneME8961451.250.931.470.692.360.990.751.130.820.761.021.230.900.750.780.690.620.920.760.770.781.050.920.570.683.500.980.780.520.930.650.760.810.595.131.720.700.691.150.750.780.660.690.730.650.740.881.260.720.630.910.810.600.610.840.750.610.521.770.680.780.620.840.680.900.880.940.640.790.900.560.553.850.610.800.550.870.540.790.721.071.644.900.681.751.001.084.470.692.170.790.701.510.671.451.351.670.950.961.390.771.351.520.800.721.821.731.081.060.781.220.391.570.680.930.850.990.701.510.8113.470.740.841.160.731.870.860.870.561.221.470.911.490.720.651.350.830.810.751.130.590.860.801.090.811.080.360.84
D-Pipecolicacid2ME8962402.980.740.570.510.710.690.600.510.511.040.681.281.310.511.950.720.390.820.890.631.260.571.440.640.921.030.650.640.700.760.650.810.522.071.200.630.680.941.511.491.080.310.580.620.720.530.870.690.461.930.550.951.280.550.660.610.650.610.530.491.102.900.420.450.450.510.740.750.900.630.845.091.660.892.130.812.231.662.080.800.360.770.520.640.511.351.100.751.420.730.370.861.080.860.881.170.420.340.551.280.540.830.751.991.030.790.810.850.690.610.420.910.600.280.880.793.641.430.680.321.412.610.703.520.611.610.400.926.131.351.720.570.800.670.571.751.831.531.511.170.860.600.681.331.250.731.131.36
FenuronME8962642.730.680.910.250.841.240.590.850.510.320.310.690.531.091.120.320.501.160.711.081.160.741.330.360.820.230.510.881.960.631.641.180.290.830.610.820.430.812.400.541.561.470.890.870.550.352.522.120.481.792.232.950.681.270.621.210.890.461.130.220.980.791.070.261.482.160.761.710.420.361.010.610.490.290.492.350.741.390.581.792.951.531.241.200.200.370.580.590.611.090.970.560.910.821.081.420.670.780.641.211.840.832.310.731.790.472.230.850.791.580.910.520.580.871.041.031.401.901.170.791.700.650.730.730.311.440.490.910.331.540.630.430.851.280.491.450.490.411.390.931.051.261.620.811.291.491.331.20
3-Dehydroxycarnitine1ME8961411.170.771.130.621.071.191.351.391.080.941.270.961.041.150.600.831.010.691.400.950.651.551.760.750.990.510.601.521.222.021.781.310.640.341.211.311.051.231.251.220.220.241.581.411.021.650.771.202.030.841.821.130.961.311.261.141.601.142.631.541.421.461.021.581.391.400.771.281.750.791.270.550.580.280.520.751.171.392.310.911.302.060.721.250.471.611.541.270.781.551.091.141.160.561.071.301.271.070.961.390.681.141.490.780.781.060.990.941.020.940.890.660.930.940.620.790.521.262.530.860.960.940.891.461.591.671.240.330.410.781.941.201.250.561.161.861.000.640.590.600.910.660.481.170.800.470.680.91
N1-Methyl-2-pyridone-5-carboxamideME8963430.141.291.000.510.484.170.690.800.390.224.401.051.273.010.811.330.800.030.430.781.242.130.520.100.300.460.282.050.580.641.060.090.410.150.320.260.320.621.591.120.311.252.861.192.740.670.250.740.720.560.840.620.440.026.504.840.410.630.091.793.350.650.190.720.220.891.121.090.430.071.461.263.130.141.150.142.210.470.550.230.140.920.480.891.270.860.961.380.131.310.122.413.150.430.070.210.770.331.151.560.592.360.750.782.170.421.811.611.110.060.070.570.880.730.080.231.042.762.570.100.211.110.190.200.983.550.060.900.383.850.270.550.500.071.057.620.222.990.660.082.241.680.750.520.570.170.940.71
2S-amino-3-oxo-butanoic acidME8961370.550.961.581.280.141.240.640.652.272.110.330.992.280.660.770.501.300.391.250.380.620.491.390.491.210.430.450.680.690.300.471.090.331.030.660.471.402.060.730.860.651.102.232.691.110.620.662.150.700.401.156.500.360.542.642.370.340.470.550.880.331.120.271.321.681.080.410.370.702.290.380.320.720.520.700.980.230.490.380.500.751.780.268.150.551.440.390.500.910.410.551.051.381.520.451.390.750.970.740.640.853.701.410.881.360.430.630.581.471.421.100.970.820.920.530.490.672.101.121.134.970.601.020.641.071.400.982.370.592.722.242.691.000.500.990.490.600.680.990.701.331.240.770.710.531.100.701.29
N,N-Bis(2-hydroxyethyl)dodecanamideME8963390.540.971.651.236.460.812.400.610.170.750.511.750.290.210.320.360.360.400.701.220.311.851.072.190.120.831.570.384.541.931.540.342.561.334.680.947.386.512.122.811.050.250.423.151.910.152.936.151.401.244.701.510.090.300.510.320.322.040.310.151.101.324.476.523.320.150.140.694.662.332.281.844.252.730.310.740.570.160.754.560.070.090.080.080.050.090.050.220.440.110.080.080.090.080.060.300.430.290.110.070.080.060.080.050.290.280.310.070.080.140.110.091.420.770.070.050.100.060.150.310.260.060.060.063.630.110.140.130.070.080.070.380.340.080.250.210.050.060.110.050.260.050.100.040.060.080.971.09
ConiferylalcoholME8962250.470.521.791.170.070.150.991.310.210.341.000.230.400.150.522.510.040.630.450.560.511.581.600.770.410.051.000.220.740.190.141.101.080.740.260.780.551.242.531.592.051.491.101.490.040.240.480.570.160.125.031.910.960.611.911.700.140.072.060.890.330.250.040.080.340.140.100.374.023.700.130.493.670.570.810.570.410.790.200.710.430.770.070.720.200.144.191.030.400.200.110.070.630.400.180.311.520.782.050.790.620.570.300.372.380.290.490.430.820.410.271.240.281.100.131.060.380.181.232.640.052.480.640.221.270.830.350.390.1724.440.571.830.040.212.371.290.5013.403.022.000.102.140.361.040.320.880.590.73
L-HomocitrullineME8962911.080.690.680.460.421.070.640.390.701.971.490.581.000.320.340.700.821.701.902.460.790.690.730.500.860.320.920.781.020.850.931.370.884.192.100.633.140.502.041.362.381.280.951.072.451.111.050.620.030.931.681.940.391.311.982.130.800.860.760.720.630.940.110.352.311.190.790.640.810.920.460.681.400.690.870.870.681.090.791.031.210.860.591.460.800.610.291.290.990.680.160.830.971.261.090.800.510.510.530.720.710.980.511.071.111.201.370.580.750.880.720.650.570.451.330.680.660.361.000.501.241.092.003.511.271.530.791.520.571.300.641.360.732.071.051.481.631.922.881.021.331.521.791.603.640.820.771.05
allylcysteineME8961960.560.150.200.270.150.050.501.052.961.712.210.806.030.020.740.840.270.110.321.330.431.410.180.810.100.140.440.240.050.430.020.160.060.080.070.330.480.094.271.830.460.160.280.390.100.120.120.260.020.100.930.740.970.270.881.440.040.380.020.030.960.562.551.961.180.170.410.410.230.161.191.390.962.440.440.350.100.281.561.870.050.3511.580.481.230.031.071.194.150.610.140.021.810.802.430.700.090.110.816.792.470.650.210.280.730.660.680.120.070.230.510.451.080.050.768.960.200.331.590.411.502.370.210.560.040.101.050.331.433.230.160.270.571.584.804.445.770.753.002.370.140.142.091.672.940.460.841.65
CommendamideME8962230.900.790.690.190.510.711.330.880.450.720.500.421.010.921.170.720.650.280.590.750.490.980.650.590.770.280.640.790.710.600.631.510.680.460.470.381.221.420.470.240.991.100.971.470.700.690.831.061.440.801.011.100.450.861.251.600.560.860.190.640.410.470.601.320.571.080.450.440.902.990.940.970.650.240.670.980.400.651.071.501.602.080.731.590.860.951.830.890.731.101.361.130.801.280.620.731.761.861.453.374.510.961.801.230.820.911.141.341.000.841.961.170.330.301.242.451.650.781.111.171.991.942.121.170.600.441.261.310.830.951.900.953.181.812.273.631.840.971.021.311.621.961.171.702.551.310.760.67
CreatinineME8962281.031.041.040.890.810.950.850.840.911.021.070.880.981.010.931.021.061.141.091.131.170.960.960.961.000.810.891.011.021.081.091.120.900.841.250.911.121.131.421.311.211.041.231.171.241.081.010.981.431.270.990.981.151.191.261.271.141.050.961.311.040.971.091.271.011.070.920.911.041.181.091.151.540.931.131.070.931.011.111.051.010.831.101.061.191.141.021.111.081.080.931.030.960.990.970.941.131.010.010.870.821.061.011.061.091.041.101.081.100.811.080.780.850.990.950.751.301.571.371.200.801.221.021.341.271.051.181.110.851.071.041.061.161.181.501.461.481.411.221.091.071.041.050.950.981.060.990.44
L(+)-CitrullineME8963010.981.060.860.700.481.170.940.750.860.620.910.520.920.700.741.010.800.761.650.761.070.731.151.020.830.590.741.060.901.521.651.080.570.910.491.131.301.210.931.630.931.191.121.350.880.740.981.260.830.921.171.800.550.691.461.710.780.800.911.360.971.620.640.580.591.100.920.981.461.140.860.730.730.821.161.631.281.251.041.380.931.270.852.721.090.931.090.901.391.050.551.000.980.841.121.631.060.921.030.810.900.810.750.891.611.411.580.940.861.161.820.810.620.901.331.210.972.431.570.591.181.321.181.070.840.991.000.760.852.321.381.081.071.111.311.291.241.380.971.301.411.291.241.891.431.270.801.17
1-MethylxanthineME8961021.030.431.890.141.511.620.970.290.210.040.270.570.240.081.530.270.092.430.860.721.370.180.590.041.570.220.330.404.010.383.101.500.050.741.910.381.571.121.151.023.773.401.761.640.501.950.480.880.361.021.763.290.951.500.100.792.940.270.761.790.690.391.060.030.311.510.701.660.050.040.780.430.040.390.120.590.621.390.443.961.081.561.880.040.250.500.050.280.502.531.761.391.181.110.901.100.300.560.680.712.317.371.100.574.170.254.171.010.111.160.640.040.400.641.361.531.950.061.780.224.560.381.690.290.041.680.020.140.022.460.380.530.212.280.411.100.370.202.681.090.871.151.331.940.350.870.771.12
Indole1ME8962790.980.811.010.580.911.291.170.771.020.920.830.820.841.030.711.720.810.530.921.151.411.181.240.990.871.181.340.990.941.411.050.801.090.710.880.621.150.840.890.930.900.741.121.141.230.901.011.211.511.160.870.921.380.991.211.250.790.561.281.181.050.891.030.890.961.061.161.051.101.191.060.881.510.811.001.471.251.011.221.211.111.001.181.561.220.561.181.201.001.391.051.160.980.831.071.021.130.960.951.131.061.351.081.091.271.241.190.910.931.091.110.740.421.091.081.060.811.120.970.991.211.391.101.211.521.081.170.971.051.231.121.021.131.361.341.311.201.411.091.231.001.351.181.161.261.090.910.84
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acidME8961380.430.441.841.300.210.161.001.410.200.131.030.140.390.150.132.440.160.570.410.550.191.581.630.750.370.151.020.130.620.310.140.831.130.660.180.780.361.232.421.612.101.251.131.460.130.170.380.460.130.114.851.870.960.511.831.520.130.144.140.810.310.200.150.150.250.130.130.153.924.000.160.473.560.500.870.580.390.580.160.310.470.700.120.880.120.124.261.030.400.260.120.110.610.330.160.311.360.722.070.790.670.370.130.642.350.180.420.260.750.390.221.130.141.160.111.200.310.111.112.580.162.420.700.151.360.950.290.340.1225.760.601.640.160.152.691.130.4913.923.071.820.152.240.311.030.290.840.560.76
3-Deoxyvitamin D3ME8961440.641.400.801.731.010.590.700.751.070.482.571.930.721.730.621.011.291.481.400.260.860.760.961.320.641.790.822.481.301.301.471.362.181.661.611.121.011.350.911.511.252.081.701.711.671.040.740.490.860.491.411.371.261.531.431.342.341.450.851.701.421.142.041.951.110.781.081.691.360.531.120.720.831.561.390.371.432.331.000.490.430.270.390.340.221.800.250.900.200.440.650.920.580.450.230.450.590.640.150.170.530.300.200.220.720.350.240.250.840.800.330.692.301.120.920.171.230.330.920.710.980.290.380.731.030.961.561.681.120.370.420.590.240.450.300.250.170.590.840.270.500.140.990.100.250.631.780.82
5beta-CyprinolsulfateME8961820.060.029.455.621.011.051.211.130.940.870.781.181.660.892.031.641.141.841.550.951.041.311.251.141.111.390.182.341.441.881.770.761.591.731.041.071.111.381.631.140.190.042.030.561.161.281.591.191.330.211.190.011.881.292.162.691.740.070.631.391.780.051.471.181.931.390.950.011.621.112.282.240.361.301.031.071.141.581.901.070.900.930.770.011.180.041.521.160.911.211.570.971.421.621.452.492.240.911.541.722.001.971.760.921.030.061.420.791.681.231.071.880.741.132.191.122.020.311.740.371.552.381.820.301.900.330.010.110.010.010.010.010.010.080.340.010.010.050.020.020.010.010.020.210.040.010.350.06
CaryophylloseME8962160.150.033.004.201.280.951.200.950.930.910.921.151.361.042.041.511.121.921.470.931.000.830.961.051.071.210.932.041.371.881.600.891.661.614.141.041.051.341.711.140.161.482.331.951.181.351.241.011.140.880.970.031.491.192.102.571.721.790.411.461.841.651.501.271.491.591.070.031.080.782.181.551.101.411.200.911.351.611.990.950.870.910.860.140.890.031.301.190.771.241.370.741.771.401.212.391.810.921.201.291.782.052.200.941.101.071.370.501.501.161.001.390.750.981.582.952.370.981.211.201.872.541.901.301.600.030.020.020.170.030.020.030.030.033.260.030.030.070.060.030.030.030.220.090.030.030.150.16
MebutamateME8963110.300.230.140.030.130.330.030.290.260.370.110.030.280.090.430.120.170.030.120.150.130.400.360.280.190.100.190.150.170.030.190.320.030.300.250.030.200.090.360.030.070.040.180.140.160.220.030.030.350.440.020.060.240.100.160.350.260.140.450.030.220.290.060.260.100.250.300.030.180.030.190.270.310.020.180.240.120.230.220.370.221.250.290.750.230.261.190.250.411.230.250.271.010.830.811.171.070.180.121.280.910.931.140.880.991.070.841.030.260.181.250.260.100.031.170.850.611.401.130.500.220.860.730.180.030.930.200.260.351.211.250.621.460.961.271.411.440.760.561.100.450.030.631.401.020.545.630.05
4-Aminophenol1ME8961632.450.070.060.070.110.060.060.280.080.060.060.060.070.060.060.060.060.500.260.050.060.050.060.060.060.060.060.090.240.069.800.300.0810.150.440.080.170.050.990.170.250.780.650.930.060.055.2510.210.560.060.430.610.080.060.060.120.150.060.090.180.130.140.210.060.560.351.110.400.070.050.150.110.410.310.050.120.980.040.070.294.910.060.050.060.560.060.050.120.110.510.080.070.180.150.120.170.210.110.050.311.040.050.050.060.310.090.610.060.071.4219.580.060.050.040.560.101.610.290.070.0714.090.060.480.060.060.880.060.240.581.040.800.090.060.400.070.060.150.050.320.070.060.050.090.050.0615.912.193.48
L-Isoleucine3ME8962940.781.370.950.501.311.521.220.650.491.010.770.581.131.571.220.880.730.610.461.000.831.410.860.480.851.421.001.040.541.630.400.680.890.551.140.571.080.390.940.982.711.111.060.640.920.420.870.641.090.831.030.420.981.151.081.720.610.530.930.740.661.751.020.460.991.001.120.910.931.030.681.311.530.811.531.191.350.901.120.980.780.841.621.871.470.950.881.331.061.071.390.981.230.700.921.200.900.580.420.811.461.331.280.851.091.671.031.130.751.770.881.140.420.870.851.370.722.051.281.381.642.120.921.190.731.071.061.140.741.820.921.370.740.881.150.831.080.891.270.920.730.851.121.401.020.791.180.52
13E,15E,18Z,20Z-pentacosatetraen-11-ynyl acetateME8961090.670.830.280.431.110.490.230.240.580.970.540.560.901.194.062.620.711.040.721.101.220.980.550.511.071.951.580.980.951.071.071.010.780.221.830.880.700.560.300.603.184.300.260.520.710.930.400.501.061.151.961.010.970.711.701.711.210.831.301.021.154.420.470.422.201.520.840.900.570.580.310.511.080.790.432.041.271.430.550.441.172.040.9810.680.540.850.580.690.690.800.740.521.291.330.550.802.681.080.971.170.661.281.161.290.640.610.930.850.720.650.971.730.780.870.760.770.745.470.830.281.160.590.420.700.450.500.910.680.671.380.730.741.091.310.600.950.940.470.830.440.920.940.600.691.060.680.761.09
Cladosin LME8962221.722.371.651.621.641.390.410.771.391.091.141.291.070.961.991.191.192.851.710.940.610.360.361.611.510.791.702.191.550.991.680.993.150.803.411.251.061.542.330.571.212.190.700.692.041.481.210.751.510.761.310.640.900.912.583.291.330.940.540.911.681.860.561.120.370.451.061.081.200.941.330.910.590.390.840.541.261.670.751.150.731.071.160.630.591.070.450.630.570.800.540.421.601.011.200.032.240.920.560.500.621.020.280.990.690.651.100.740.940.650.840.890.960.740.622.151.550.731.311.131.020.710.230.530.910.532.240.780.271.200.581.811.230.810.301.440.570.951.561.091.160.630.500.530.291.170.640.44
4-Aminophenol2ME89616443.950.360.150.133.182.250.120.100.100.090.090.100.110.160.130.110.090.530.100.800.680.180.190.100.110.100.110.100.110.210.140.100.100.130.110.090.200.140.170.120.121.360.100.470.100.119.995.100.110.110.250.140.110.100.100.120.160.1236.730.500.100.120.120.110.090.130.480.100.100.110.110.110.170.260.122.860.130.110.110.120.216.770.120.280.120.090.110.110.120.150.160.130.150.120.150.140.150.118.970.170.160.230.130.110.110.820.120.120.120.100.190.130.090.100.170.160.141.930.110.110.170.130.130.150.145.020.090.310.310.870.110.100.100.530.100.841.210.100.250.163.410.150.170.540.880.320.771.37
MonostearinME8963161.152.561.181.750.780.461.221.461.360.853.022.500.672.001.151.271.861.941.930.630.711.041.301.371.012.211.143.171.471.611.672.182.612.501.751.211.141.461.241.821.752.552.282.232.111.191.120.651.310.871.842.251.601.681.851.702.401.580.832.211.671.572.101.831.251.091.551.981.340.851.290.550.491.601.550.621.662.911.070.610.640.430.480.310.351.840.410.830.070.560.610.950.790.580.330.370.200.410.150.200.520.450.770.300.330.340.220.330.710.410.550.742.721.630.870.271.030.400.670.480.830.310.470.820.770.920.931.221.150.500.480.280.130.390.250.280.300.670.630.340.400.220.980.150.330.560.501.07
N-Methylnicotinicacid2ME8963312.260.070.100.090.050.060.100.190.070.100.190.120.190.060.010.400.044.482.220.190.140.030.280.270.220.010.120.662.651.1616.500.510.160.370.070.110.200.103.470.370.301.211.954.170.040.212.541.400.030.520.541.080.210.160.170.160.090.110.140.490.861.140.690.163.071.842.061.460.440.600.860.190.290.130.130.162.701.210.700.311.150.090.131.000.030.040.140.350.541.540.140.120.571.091.570.080.240.360.040.450.510.060.100.081.130.280.910.090.155.1413.040.040.080.033.032.360.700.350.260.119.040.163.952.360.590.390.070.460.107.540.050.830.252.600.140.630.190.410.940.400.120.360.292.530.483.191.112.25
1-NitrosopiperidineME8961030.870.870.930.780.761.260.970.661.020.790.980.691.280.901.031.020.761.461.331.190.760.890.930.830.640.770.660.930.651.881.140.900.700.900.640.771.320.941.070.941.221.381.041.090.730.601.251.300.980.821.451.430.850.781.501.550.830.941.371.051.311.410.630.600.550.960.880.791.220.991.071.090.870.781.281.361.541.211.021.050.991.240.921.460.821.031.031.040.991.520.940.981.001.221.221.710.720.701.561.050.931.080.971.301.301.391.311.121.010.921.431.510.750.700.991.400.821.191.310.681.121.981.420.630.861.200.980.721.001.481.020.760.580.880.981.110.940.970.740.751.080.750.711.430.960.851.151.02
ImiprothrinME8962780.450.740.790.580.361.891.400.601.020.891.060.372.160.520.131.110.520.160.380.790.371.620.980.301.350.610.790.360.580.930.471.600.150.480.830.720.430.360.470.971.091.730.360.550.650.640.260.101.090.551.953.480.682.501.070.710.481.520.440.200.590.720.780.820.410.280.471.001.380.421.311.251.012.081.801.130.490.540.400.580.561.680.991.685.580.702.121.142.250.901.011.230.300.460.700.620.450.690.310.410.441.080.530.120.161.581.180.341.030.740.850.390.430.780.310.110.382.721.150.620.261.931.221.131.580.980.790.090.281.322.390.990.740.655.990.711.430.387.050.510.820.290.291.740.480.081.591.52
2-Amino-4-oxopentanoicacidME8961151.261.131.240.500.690.870.830.810.870.960.810.581.021.201.101.100.971.180.871.291.110.930.840.860.850.741.051.171.221.220.991.331.130.751.400.581.051.091.611.131.211.280.980.701.231.070.561.051.000.751.191.230.641.371.871.700.830.890.871.340.781.121.030.880.970.830.560.952.582.570.860.722.330.820.700.891.050.910.880.871.021.090.541.680.841.071.170.740.910.850.761.031.030.810.811.150.490.701.401.261.041.401.250.781.081.221.041.260.970.861.091.050.760.751.081.330.831.861.920.730.901.371.041.151.801.491.081.081.061.320.990.920.941.541.131.511.451.331.211.271.051.321.051.421.270.910.801.08
D-GlutamateME8962371.261.240.810.481.411.340.520.480.840.520.890.970.810.450.621.470.582.781.171.100.510.620.460.720.311.921.221.400.891.370.990.810.690.861.580.670.970.571.220.561.681.240.590.470.730.400.820.630.920.700.920.671.010.771.310.980.860.461.840.631.001.050.950.540.730.650.740.520.540.490.670.541.710.941.071.111.570.560.810.490.702.061.231.160.860.640.411.120.481.731.110.640.730.580.911.020.540.440.840.550.391.260.580.990.891.070.750.740.590.670.771.011.200.821.200.710.770.800.730.650.601.070.680.460.710.731.390.670.610.890.400.310.390.540.470.570.630.560.710.340.530.400.371.080.340.222.541.42
HomoarginineME8962721.461.230.760.340.791.161.110.540.700.550.770.760.610.890.801.870.881.131.191.040.930.770.951.030.752.321.260.680.571.240.970.411.060.760.891.070.620.440.891.540.710.630.580.551.080.420.850.791.671.240.480.381.320.850.770.801.071.121.821.221.571.341.370.790.500.361.090.851.731.652.901.931.051.341.361.050.900.990.990.570.721.021.800.921.390.972.721.281.751.001.721.741.150.561.411.341.180.961.311.410.860.930.631.120.782.611.811.601.130.790.990.650.600.831.060.791.561.040.830.710.582.210.790.690.941.021.320.921.140.981.310.531.021.322.371.201.522.361.790.660.490.851.580.962.540.560.740.75
5-Nitro-o-toluidine2ME8961791.291.361.010.580.851.971.440.191.100.292.220.750.121.340.221.053.591.383.330.560.301.780.551.961.080.881.451.881.491.942.820.570.530.411.260.491.310.261.863.151.700.360.982.482.381.530.540.570.811.121.431.790.610.744.004.241.050.270.240.881.500.271.180.260.611.531.060.511.370.391.100.282.070.910.700.272.420.620.810.150.970.420.610.420.511.220.320.730.651.130.841.151.281.350.570.630.500.710.581.830.574.320.300.490.531.421.371.150.281.261.550.150.411.000.730.550.600.751.020.270.601.011.050.651.011.920.851.590.530.960.730.950.451.530.921.490.522.680.440.200.840.510.910.840.641.550.880.77
1_8-Diazacyclotetradecane-2_9-dioneME8960981.014.950.301.010.191.730.181.062.322.240.420.892.302.939.090.212.502.340.940.630.870.330.440.783.502.040.671.923.560.360.402.710.410.782.470.571.093.240.500.280.220.500.730.721.221.300.600.330.700.181.761.860.191.302.690.652.011.660.290.200.571.530.371.471.050.300.180.200.230.220.280.290.230.340.870.551.801.120.181.170.271.150.381.210.203.880.280.500.350.540.260.225.331.290.233.730.390.180.640.200.182.080.590.250.460.180.320.420.510.240.730.482.000.380.180.330.221.430.220.504.400.250.190.180.180.872.392.110.232.730.571.712.890.510.431.470.301.446.020.240.310.171.503.290.321.280.252.24
4-NitrosomorpholineME8961700.871.041.531.590.490.710.931.371.020.860.730.751.730.691.700.611.251.011.050.871.320.871.251.091.210.480.540.550.650.821.201.540.860.900.610.881.331.891.141.230.730.621.161.200.861.581.351.740.910.911.101.340.851.500.751.020.991.211.331.140.720.990.781.190.691.271.061.401.131.320.660.930.621.020.841.250.681.190.831.610.971.590.661.470.722.180.980.531.171.010.731.060.911.100.891.480.790.831.211.101.481.311.901.841.890.820.880.791.271.631.291.070.781.181.411.500.801.161.410.580.851.221.340.940.601.251.040.840.941.831.510.791.120.820.990.981.450.930.721.851.481.200.690.970.901.300.761.08
NadololME8963441.260.491.061.061.270.990.871.280.920.791.251.271.051.000.641.350.651.861.390.730.861.110.931.800.700.811.271.180.791.731.850.732.150.721.961.041.410.862.581.191.071.060.610.531.641.650.970.830.930.721.240.640.930.671.712.121.030.730.691.271.421.040.930.820.460.690.871.041.210.831.281.051.410.601.491.300.941.270.820.781.310.861.590.940.750.550.420.830.710.920.900.771.111.041.231.031.350.870.830.611.040.720.620.950.651.020.980.750.900.840.961.050.801.081.262.311.410.791.560.770.681.520.961.021.630.521.860.700.761.070.471.540.991.640.661.600.771.211.161.531.390.980.440.830.812.090.930.71
1-Aminocyclohexanecarboxylic Acid1ME8960990.270.300.181.620.230.090.030.050.090.260.822.070.310.051.541.090.040.310.210.932.030.100.101.510.611.190.630.210.270.130.240.660.993.340.330.781.161.550.420.315.381.920.200.202.020.180.510.260.761.070.090.061.820.380.200.930.100.380.120.580.110.770.910.060.040.090.930.550.021.121.023.103.071.293.641.780.190.680.091.500.250.070.031.160.920.040.830.121.600.120.430.100.421.900.090.120.120.181.570.390.700.290.352.771.680.060.070.620.090.470.982.130.030.232.071.972.851.350.201.120.224.350.820.150.590.281.302.344.051.880.270.650.052.291.800.373.232.271.452.282.091.502.741.282.021.281.801.44
2-((2-hydroxyethyl)amino)benzoic acid1ME8961130.670.480.770.992.040.741.100.440.710.281.561.530.401.390.661.890.961.511.501.371.521.170.751.420.561.390.771.941.772.551.070.720.720.501.070.860.791.440.731.552.591.891.541.391.380.900.640.490.980.811.020.902.240.960.780.871.321.050.721.071.761.701.870.991.350.420.801.981.630.751.791.371.681.440.900.822.161.710.810.680.820.680.871.410.800.431.200.670.620.890.740.610.610.960.790.630.720.520.740.800.860.790.691.050.901.090.780.820.420.580.820.510.911.131.041.000.940.780.530.580.591.030.680.491.850.580.680.480.840.890.880.510.471.211.170.861.111.021.001.310.880.770.841.200.770.731.290.63
3-hydroxy-2-N-iso-butyryl-anthranilamideME8961470.560.260.330.030.790.590.060.031.892.570.261.870.760.120.560.660.061.050.292.232.231.940.180.060.070.441.592.512.051.620.770.031.790.383.061.861.370.860.170.120.542.071.590.800.090.332.772.082.001.080.110.061.791.330.390.182.691.490.440.342.041.790.080.040.030.112.181.941.822.020.450.240.040.070.060.211.341.071.790.650.320.344.060.242.810.412.423.390.140.150.250.053.561.933.242.722.950.440.273.122.393.762.670.330.213.243.313.902.070.160.071.550.030.162.940.132.091.890.091.652.510.091.751.650.090.310.530.450.602.150.120.360.261.310.870.520.131.533.252.990.601.592.970.160.220.070.210.38
L-Prolyl-L-LeucineME8962990.110.110.060.820.040.020.020.020.020.080.610.940.090.021.420.950.020.060.060.482.930.030.031.740.280.930.160.030.080.040.100.270.584.010.220.220.861.170.120.105.870.630.100.072.450.080.170.060.510.830.020.021.770.170.040.680.030.070.030.190.030.520.350.020.020.020.600.140.090.600.944.113.930.824.972.120.100.450.041.330.110.010.010.390.580.020.630.032.040.040.220.020.221.980.020.030.030.081.490.220.320.100.055.582.030.010.020.320.020.240.682.830.020.082.653.163.321.100.100.880.0410.530.560.030.150.061.282.317.721.880.120.450.022.872.640.225.953.161.012.942.311.032.521.042.651.511.630.96
MM 22382ME89631516.850.540.190.158.871.600.130.110.100.100.110.110.130.090.160.150.120.140.120.120.130.150.120.120.120.110.110.140.130.120.150.120.130.150.140.110.190.110.150.130.1113.620.160.130.140.1311.9310.880.120.130.130.090.130.110.130.160.130.126.441.410.120.120.110.100.120.130.110.090.120.120.130.120.130.110.125.170.130.130.140.150.1311.090.140.070.140.080.150.120.130.140.610.120.170.130.150.160.170.118.850.160.154.870.160.130.152.760.160.080.130.110.140.120.110.120.150.150.150.130.130.130.180.160.150.130.1327.820.060.061.680.090.070.080.081.040.100.080.080.070.140.0810.350.080.080.090.070.160.452.13
1-Pyrroline-4-hydroxy-2-carboxylate2ME8961060.451.600.331.431.021.070.651.140.310.360.910.310.850.431.380.381.162.960.990.501.011.552.320.020.640.730.570.511.450.681.262.560.571.161.740.771.361.211.081.023.594.331.092.011.091.650.790.930.330.421.052.940.251.212.263.871.083.430.450.671.481.230.480.330.520.520.331.050.660.780.620.880.651.420.881.281.791.990.541.020.701.200.450.481.482.500.620.591.150.990.342.400.750.750.261.110.431.250.480.431.070.471.401.451.360.692.060.971.271.961.901.251.401.161.990.751.691.842.850.461.530.220.950.990.940.990.500.300.331.690.560.470.560.820.560.700.680.981.250.850.780.800.510.301.001.930.720.88
N,N-Dimethyl-1-pentadecanamineME8963411.180.200.220.200.330.2020.010.090.130.100.140.170.250.220.100.130.110.170.215.370.3155.800.310.120.220.110.250.160.081.171.650.170.671.030.321.970.340.420.950.360.091.120.140.090.150.210.120.230.120.470.150.140.110.140.280.150.170.150.260.530.230.150.370.550.210.390.110.320.110.100.063.110.360.807.960.500.420.153.920.360.420.480.280.350.160.261.960.340.591.460.720.360.210.310.420.410.130.600.290.130.180.430.281.360.410.340.290.3313.860.450.620.250.470.090.260.341.060.840.850.541.890.320.250.381.400.420.350.240.300.110.281.410.510.330.290.380.270.360.240.190.200.250.300.170.340.260.320.19
1-PalmitoylglycerophosphocholineME8961040.960.750.930.970.661.200.901.110.870.940.800.751.320.760.901.121.040.830.950.841.070.831.150.770.710.780.980.690.611.010.990.850.900.811.140.791.071.100.820.920.810.940.891.110.670.900.960.870.901.090.800.930.870.961.011.070.740.780.870.680.951.160.820.850.871.040.760.830.910.960.730.961.170.860.851.150.611.010.950.940.951.071.051.330.920.791.120.991.150.860.781.040.891.120.711.051.161.070.790.720.950.911.090.681.020.820.770.830.780.801.000.900.660.931.091.300.941.051.170.541.031.120.900.700.790.911.180.711.120.950.671.330.890.940.950.991.060.920.670.960.971.041.040.870.960.861.941.06
20-beta-DihydroprednisoloneME8961341.811.250.880.680.731.300.510.670.421.170.571.180.860.460.881.861.350.821.001.230.860.840.810.701.131.320.970.811.520.960.820.760.740.460.030.741.651.561.151.731.580.501.511.580.820.830.210.891.080.710.800.540.960.611.631.610.740.480.730.310.321.280.430.530.560.970.650.850.470.510.230.680.950.830.811.590.411.490.231.190.820.650.512.880.810.480.491.971.760.750.520.820.650.671.010.070.720.860.750.530.721.281.800.520.661.821.600.400.401.600.741.500.570.540.572.201.691.870.762.061.681.920.573.650.060.581.001.980.672.120.821.001.251.700.962.502.060.835.362.020.963.333.481.920.871.090.820.84
L-Methionine SulfoxideME8962971.190.950.720.520.810.780.850.580.721.301.010.480.490.871.002.120.841.240.811.520.820.840.661.281.070.570.670.600.651.370.880.740.610.731.190.740.950.851.170.871.580.891.110.690.960.860.621.131.300.921.180.680.880.770.890.880.770.982.581.840.950.780.720.870.520.670.780.831.140.681.000.960.680.711.370.971.261.260.630.730.801.020.611.200.620.791.140.710.811.242.281.500.660.560.630.810.850.551.071.020.781.210.541.000.931.600.841.121.390.620.891.200.660.670.670.950.750.590.800.611.031.580.750.930.691.040.680.900.740.990.980.610.750.980.991.200.960.981.010.870.710.861.051.690.780.781.861.16
InosineME8962840.020.060.110.420.782.371.590.380.500.790.060.743.480.341.950.500.183.923.180.280.390.270.250.660.420.040.160.060.340.183.181.850.390.970.921.540.181.710.051.840.010.110.770.250.800.060.440.331.400.102.030.051.162.362.253.160.140.600.200.090.257.840.623.341.301.011.690.090.851.340.141.320.231.410.152.565.210.790.490.710.172.490.605.982.830.840.143.522.680.180.550.170.561.270.928.031.114.850.301.812.171.223.110.791.640.691.230.220.475.170.102.570.490.051.630.931.091.230.200.150.360.711.521.062.013.070.840.091.390.480.200.100.131.512.631.250.172.860.610.490.191.030.401.680.970.210.050.01
IpronidazoleME8962850.321.110.830.580.502.870.800.780.580.523.420.911.172.220.811.140.822.031.050.891.071.610.670.340.470.490.431.690.620.810.920.580.500.270.540.410.940.711.461.270.921.382.151.192.430.960.600.790.930.730.900.820.510.684.593.580.510.760.331.542.480.700.370.690.500.921.021.080.680.361.231.162.570.301.210.541.750.660.700.540.430.960.601.171.120.940.861.150.311.120.341.742.320.750.350.510.800.511.291.330.891.670.860.871.650.701.491.271.090.280.460.770.820.750.360.551.152.172.070.340.401.220.611.381.132.910.430.780.523.000.550.820.870.461.214.990.782.200.990.351.711.530.860.770.850.400.950.77
MethylimidazoleaceticacidME8963140.490.970.650.650.542.170.610.590.380.585.070.930.690.960.541.550.581.500.500.631.102.160.530.130.470.220.621.591.311.100.700.930.520.471.540.440.430.572.811.360.441.461.711.542.071.430.440.831.581.661.750.700.600.904.364.360.650.721.081.292.480.630.290.810.701.340.940.820.700.451.670.493.590.361.190.551.280.490.940.560.541.520.930.961.740.710.600.970.161.370.451.661.700.820.460.600.830.790.771.350.622.331.270.400.841.141.401.501.180.220.570.511.481.310.170.461.461.433.150.460.410.600.391.543.171.750.200.460.172.350.580.991.020.320.834.940.531.800.830.170.941.180.861.231.190.550.750.83
2-oxo-4-methylthio-butanoic acidME8961291.190.950.720.520.810.780.850.580.721.301.010.480.490.871.002.120.841.240.811.520.820.840.661.281.070.570.670.600.651.370.880.740.620.731.190.740.950.851.170.871.580.891.110.690.960.860.621.131.300.921.180.680.880.770.890.880.770.982.581.840.950.780.720.870.520.670.780.831.140.681.000.960.680.711.370.971.261.260.630.730.801.020.611.200.620.791.140.710.811.242.281.500.660.560.630.810.850.551.071.020.781.210.541.000.931.600.841.121.390.620.891.200.660.670.670.950.750.590.800.611.031.580.750.930.691.040.680.900.740.990.980.610.750.980.991.200.960.981.010.870.710.861.051.690.780.781.861.16
2-Nonene-4,6,8-Triyne-1-OlME8961281.150.871.090.520.890.981.120.591.060.770.930.790.630.920.701.110.690.770.771.241.011.290.950.950.870.791.161.170.961.530.910.860.780.521.030.641.110.701.110.981.240.970.970.861.190.711.020.801.471.041.400.901.000.761.271.230.920.721.701.031.080.690.820.740.910.901.110.900.951.091.000.821.120.670.841.151.110.881.111.061.111.081.261.531.060.691.001.581.061.361.211.101.101.041.111.011.100.911.301.281.131.190.951.310.961.741.321.180.910.910.890.980.440.841.221.381.171.051.081.381.031.471.101.131.120.980.990.910.961.271.011.081.171.281.241.501.401.241.311.460.971.040.961.371.221.191.071.04
Brasilamide IME8962100.660.770.320.550.406.270.370.780.370.303.730.110.100.300.130.440.400.380.530.440.360.543.070.310.520.412.070.242.061.570.602.290.620.632.390.121.410.381.371.452.165.371.760.681.060.400.420.630.802.800.811.720.310.751.146.410.580.670.170.520.580.810.900.770.540.430.580.470.560.251.050.791.250.291.131.941.170.290.580.970.360.570.520.860.880.441.781.581.340.820.670.611.320.650.590.390.220.580.130.510.771.200.620.750.540.983.732.090.381.040.900.431.041.060.411.100.504.110.550.632.465.134.050.702.811.060.130.110.110.580.254.040.320.570.803.150.570.431.570.642.541.010.753.040.811.160.620.93
Divinyl sulfoneME8962522.270.800.981.320.700.880.641.501.351.990.851.033.891.831.510.540.961.250.750.420.690.411.770.660.790.440.460.520.530.651.471.390.491.160.681.500.440.693.141.261.820.661.331.220.270.561.031.470.742.651.751.530.790.870.980.570.470.870.860.620.682.660.641.491.130.970.660.501.040.630.810.890.620.790.470.801.562.122.350.860.521.601.110.760.471.001.231.060.941.220.491.203.860.531.302.461.110.760.601.020.841.171.320.781.231.151.230.711.330.600.860.741.910.450.551.440.390.770.920.411.540.910.672.931.811.350.790.641.340.903.171.450.960.440.761.460.721.220.390.940.350.740.533.251.000.900.651.19
L-CystineME8962890.420.880.930.180.450.970.812.341.070.820.820.261.190.791.380.771.801.740.760.670.260.510.191.080.431.610.402.191.770.883.262.620.390.841.480.550.950.350.791.790.990.381.430.550.800.692.433.531.150.851.142.470.310.922.311.960.790.681.660.090.650.451.500.550.721.071.061.070.840.890.440.571.040.800.840.830.992.951.071.310.861.361.091.040.861.100.581.150.861.860.651.040.491.940.800.901.311.030.970.820.831.371.110.961.121.431.921.020.531.401.820.722.090.741.420.881.350.921.040.450.521.080.960.691.191.641.080.800.631.410.900.550.810.820.980.621.080.880.901.070.992.140.750.800.840.770.820.64
4-methoxy-3H-isobenzofuran-1-oneME8961670.670.480.760.972.070.741.090.430.710.261.551.540.391.410.651.920.961.461.501.371.511.170.731.420.541.370.781.991.792.601.050.730.730.481.030.830.801.450.721.602.621.911.551.381.390.890.640.490.980.801.070.902.290.950.780.881.321.060.701.101.781.701.910.981.360.400.812.021.600.771.791.371.691.440.890.832.191.730.790.680.810.660.871.380.800.431.200.670.610.880.740.610.580.910.750.600.710.520.730.800.830.750.680.990.911.060.760.800.430.570.810.490.881.111.030.970.900.770.520.570.581.030.670.481.860.540.680.460.840.870.830.490.461.211.140.841.110.940.971.290.880.720.821.190.710.731.291.00
HexanoylcarnitineME8962690.550.950.500.350.780.972.241.131.510.831.981.611.642.540.620.911.491.031.390.300.511.110.941.301.201.081.221.551.380.640.922.671.681.082.090.821.962.352.270.971.321.861.331.391.230.881.430.771.390.332.012.230.731.102.782.351.471.100.711.150.740.521.364.610.860.540.741.081.410.912.591.841.270.751.910.421.341.710.821.341.481.730.530.170.601.061.531.370.840.481.741.311.130.740.530.642.691.690.561.280.910.972.340.701.051.362.660.581.371.030.681.101.131.000.720.431.990.390.771.061.480.860.760.540.940.142.591.010.740.941.671.301.610.420.570.670.370.391.560.390.710.290.600.380.500.430.170.46
13-keto-9Z-octadecenoic acidME8961080.600.371.110.680.900.750.410.610.630.090.641.220.381.890.500.810.101.330.431.200.280.371.032.300.732.061.571.490.861.491.070.571.231.390.880.231.350.610.890.840.501.630.410.330.800.671.660.270.340.580.980.641.600.940.720.961.590.710.630.471.900.570.290.510.120.911.302.081.070.711.100.510.370.191.210.941.500.610.171.800.810.802.114.261.081.100.400.470.311.311.270.720.801.370.740.221.010.221.751.541.480.590.851.040.210.830.621.531.930.410.860.690.110.720.600.911.441.441.890.230.471.710.840.840.122.491.402.541.470.781.640.280.412.170.540.740.630.203.671.930.952.483.120.810.212.041.381.22
2-IsopropylmaleateME8961210.670.681.100.550.871.251.880.600.560.251.821.390.830.250.201.330.611.221.480.630.420.981.061.090.540.952.291.271.131.861.211.001.171.032.390.521.620.531.351.572.041.651.110.961.750.260.790.631.140.731.691.620.831.122.441.991.090.930.411.371.580.811.360.621.020.620.940.931.390.780.820.751.810.751.461.201.480.551.170.571.780.570.881.161.060.520.850.700.831.211.141.261.270.670.660.610.650.370.681.050.771.091.091.160.911.431.061.340.730.820.870.670.601.370.810.331.281.511.540.611.361.591.280.272.190.501.090.470.750.911.220.920.920.731.811.161.830.660.510.711.410.800.491.470.830.961.021.06
L-MethionineME8962961.421.190.981.220.911.061.050.920.480.572.260.680.620.990.920.681.250.790.680.690.770.801.490.670.590.660.550.821.031.871.751.090.601.030.650.510.950.850.860.712.582.071.272.031.120.930.620.730.851.491.121.780.360.631.671.520.910.810.410.530.860.860.450.321.251.210.901.190.911.720.610.410.960.850.481.111.640.780.791.381.111.220.941.561.010.850.880.852.331.170.510.741.842.081.110.920.410.431.580.850.471.220.960.951.011.541.480.900.331.411.220.800.840.831.181.840.582.150.820.870.761.201.160.781.221.350.830.940.731.530.980.950.552.290.511.410.882.321.032.021.021.921.525.061.502.190.651.34
4-HydroxybenzaldehydeME8961660.680.490.750.942.090.741.120.440.700.251.551.530.391.430.671.970.981.501.491.421.531.160.751.460.571.360.801.941.822.581.090.700.750.491.020.820.801.460.731.572.671.901.521.371.420.910.660.470.980.811.030.902.300.950.770.881.341.030.691.071.861.721.880.981.330.420.822.031.640.741.831.381.761.430.860.832.221.750.790.690.810.660.871.440.790.421.190.690.590.880.740.600.590.910.740.600.730.510.740.790.840.760.681.030.881.080.720.810.410.560.810.510.881.181.030.940.870.750.540.580.600.980.660.491.860.570.640.470.830.850.820.490.441.281.120.841.130.970.961.260.870.710.811.140.730.751.271.00
N,N-diethyl-3-hydroxybut-2-enamideME8963401.210.640.970.810.380.520.481.130.790.732.100.300.170.560.342.910.970.790.580.590.760.870.640.970.720.291.030.991.040.651.890.426.4010.070.270.151.050.442.661.712.453.800.510.800.680.310.630.940.841.510.600.811.550.860.811.030.910.310.520.501.360.710.920.180.220.641.150.780.930.460.670.360.630.450.880.650.831.140.960.800.530.190.170.530.170.2721.100.541.720.980.540.220.660.730.320.370.490.531.050.902.090.680.430.761.340.550.800.350.171.230.651.530.200.621.380.980.390.310.171.330.270.731.352.410.540.680.850.650.741.291.361.980.920.931.061.110.980.421.960.810.480.820.441.670.631.420.701.14
IsopropalinME8962860.381.060.351.471.210.940.881.090.220.250.970.390.850.350.400.190.923.521.000.511.281.922.820.090.380.630.660.491.280.971.582.680.431.301.650.781.601.160.781.384.754.861.332.411.251.800.650.780.320.401.093.870.081.282.333.750.503.720.330.752.041.200.550.260.650.430.401.550.710.830.691.010.741.821.071.422.182.160.590.990.730.960.240.461.212.520.440.640.890.980.322.970.240.380.160.580.251.290.270.321.050.391.281.201.530.571.911.051.302.301.651.251.501.362.250.571.921.081.720.331.190.120.991.081.201.070.050.180.071.520.460.320.301.170.440.650.680.971.030.850.660.840.510.190.081.870.741.12
Cer(t18:1(6OH)/25:0(2OH))ME8962181.051.341.493.442.770.720.920.551.180.802.552.611.321.500.301.321.311.421.560.701.541.641.181.520.951.721.491.752.742.041.841.142.111.262.803.411.792.571.452.221.862.312.342.071.391.501.491.071.200.752.211.321.201.501.631.291.181.651.471.701.611.102.813.551.720.691.701.462.411.212.881.611.632.612.910.792.262.302.310.870.120.140.150.130.120.830.100.780.560.160.690.460.150.160.100.450.610.710.190.120.150.120.340.101.020.380.390.150.470.600.170.272.491.230.300.110.560.120.550.910.940.120.190.311.870.190.840.720.430.110.130.480.420.150.330.300.090.400.190.100.350.100.190.090.110.160.491.27
ImDKPME8962760.880.841.001.261.230.980.440.831.210.781.941.031.661.400.820.941.002.682.050.410.880.761.181.140.520.970.911.741.480.870.731.411.180.701.601.051.931.931.511.321.341.181.111.311.461.291.031.320.830.941.381.361.301.521.741.491.111.290.551.661.092.461.261.351.641.961.081.050.840.781.271.701.120.721.361.431.681.320.840.820.901.430.290.900.690.841.120.940.940.590.630.911.060.800.871.540.560.870.510.510.540.911.050.671.500.540.831.130.870.860.550.741.071.460.690.951.041.050.870.630.661.551.110.291.460.730.950.821.010.990.300.871.190.651.000.870.851.750.970.621.290.830.351.110.460.850.861.10
1(2H)-IsoquinolinoneME8961070.970.821.030.550.841.281.230.761.030.940.860.800.831.050.711.760.830.470.921.191.361.181.211.010.901.191.320.990.961.411.090.781.030.770.840.631.170.830.900.870.870.711.161.151.250.900.991.281.551.180.860.881.320.991.211.220.780.531.291.121.120.911.010.850.921.021.141.001.161.221.080.861.490.771.011.461.170.981.131.181.101.011.201.621.240.521.321.211.001.451.021.140.990.841.081.011.161.001.001.111.061.371.051.081.281.241.160.950.931.071.130.700.421.051.031.070.811.150.970.991.231.421.101.231.491.071.151.001.101.251.131.071.161.311.381.411.231.471.101.300.971.401.181.201.301.130.890.83
N1-[1-(2-furylcarbonyl)-4-piperidyl]benzamideME8963420.691.390.810.980.690.791.121.181.510.821.741.070.791.771.630.621.490.941.360.721.650.931.421.481.171.710.891.341.200.971.521.491.071.080.990.621.091.810.890.900.821.511.552.402.302.190.650.621.390.820.671.291.473.331.662.293.092.690.991.631.461.850.891.422.582.141.082.381.401.370.890.571.022.000.920.731.582.191.161.030.760.720.670.710.512.350.571.320.410.890.911.090.901.060.310.650.721.010.340.371.270.621.270.330.890.580.450.611.611.060.802.041.441.241.740.531.960.831.231.100.350.690.951.121.281.513.583.281.500.831.000.850.430.960.790.420.560.991.330.520.550.371.540.320.661.860.020.58
N-formyllolineME8963260.881.000.841.400.990.780.290.871.101.582.030.711.010.960.630.491.134.594.200.240.630.360.940.790.531.061.261.992.760.820.682.210.490.432.890.802.142.171.251.242.141.571.141.831.061.530.751.120.400.271.692.090.731.391.341.041.421.250.341.500.512.350.891.501.832.410.710.910.310.570.911.141.060.611.391.470.881.170.570.770.831.190.261.600.410.800.630.831.360.450.710.811.211.230.731.220.491.050.230.270.180.650.960.541.970.841.210.600.870.970.460.430.921.790.800.561.111.220.840.741.110.811.210.412.391.141.851.320.851.180.130.870.681.050.580.570.652.770.980.590.960.790.430.830.361.400.791.14
2-AcetamidophenolME8961140.200.150.241.480.150.150.340.340.140.161.410.160.150.140.150.510.150.160.141.320.155.020.250.151.230.140.710.150.150.150.155.640.140.170.150.140.141.760.140.151.531.400.820.902.582.550.170.150.150.155.425.570.150.160.150.150.178.620.150.143.090.150.140.150.140.150.454.280.150.240.761.330.202.800.960.160.332.690.170.151.151.620.160.156.471.220.150.150.420.150.160.850.160.150.160.750.160.150.150.951.130.190.1511.157.610.150.172.533.071.170.150.150.160.152.910.183.290.990.160.140.150.150.305.430.150.490.150.150.151.122.602.140.160.324.350.151.820.371.303.200.140.160.150.330.141.231.041.21
Indoleacrylicacid2ME8962833.881.791.030.200.632.500.340.770.330.241.200.020.031.611.190.460.440.251.020.890.951.376.521.801.280.200.170.230.161.221.290.120.302.730.350.241.012.401.071.060.660.891.073.001.592.120.411.830.440.480.642.281.672.620.460.820.860.140.600.130.480.920.020.020.090.340.103.710.040.410.170.420.240.160.971.060.150.240.302.860.340.110.190.040.260.370.620.821.690.240.420.300.671.214.175.200.250.500.231.120.380.650.680.443.311.883.020.260.254.970.640.380.690.211.451.101.001.230.070.360.380.067.562.390.060.750.662.720.145.270.281.300.211.630.500.520.382.060.630.541.542.630.251.415.285.100.500.63
MaleamateME8963071.140.901.060.700.710.941.100.880.980.980.820.921.290.941.041.010.850.890.881.381.280.810.961.160.910.730.830.910.711.591.260.800.800.920.880.760.970.951.211.110.940.781.161.170.940.751.051.131.471.131.020.921.101.031.201.360.850.761.381.181.131.130.890.830.741.031.221.341.441.581.121.350.840.750.901.201.011.251.031.291.121.701.072.351.040.971.331.081.271.501.101.160.981.011.311.461.471.031.741.251.261.051.011.551.311.451.371.081.161.051.151.030.580.911.531.661.341.401.960.920.791.981.271.671.041.541.211.161.301.982.091.251.711.811.541.591.791.541.271.421.121.491.611.941.611.400.081.11
AllopurinolME8961950.441.180.360.720.601.790.880.290.770.810.250.711.650.633.050.810.281.601.490.740.600.850.491.161.070.200.430.170.820.571.431.260.281.120.781.010.511.300.401.020.420.591.491.151.070.480.720.711.590.651.530.501.992.381.912.450.551.022.410.660.852.760.641.681.972.121.050.360.680.911.021.430.411.120.371.482.031.370.721.240.573.520.624.171.661.320.601.931.220.841.520.511.271.662.034.161.552.230.451.742.222.232.570.821.341.371.540.881.012.100.292.760.500.302.171.271.030.820.480.461.891.761.720.981.573.410.910.381.590.800.570.470.470.691.201.530.341.730.720.570.240.800.451.930.770.300.250.26
BendiocarbME8962010.411.100.381.461.001.110.721.200.230.280.810.320.840.350.740.171.002.960.980.511.051.722.450.070.580.700.550.451.310.741.322.570.451.271.670.641.391.050.911.083.784.611.082.061.091.540.881.000.310.430.993.200.061.242.324.160.523.530.330.661.501.040.470.240.500.460.321.090.590.780.650.930.681.440.881.421.801.560.550.980.731.370.330.411.682.680.660.641.331.030.362.630.590.770.250.960.391.400.490.481.220.471.541.601.430.782.351.111.382.162.091.341.431.242.170.681.841.991.590.471.640.171.051.121.041.120.080.240.061.800.590.450.580.930.570.780.760.971.410.910.850.940.540.330.122.020.740.98
N-Hydroxy-2-acetamidofluoreneME8963281.871.151.321.010.531.341.281.162.412.131.340.290.602.802.120.551.750.941.441.101.341.751.530.750.650.560.461.181.082.272.071.630.430.390.580.271.160.940.760.331.070.921.060.971.311.140.310.260.680.530.500.871.321.582.212.150.800.800.950.700.840.630.430.420.930.900.690.770.480.391.070.990.751.191.421.191.921.871.802.070.691.030.440.880.521.231.240.890.881.981.211.131.381.231.711.840.590.631.180.941.281.471.511.661.242.662.540.810.661.631.910.791.160.430.790.480.870.611.240.251.071.851.570.630.451.530.570.820.810.740.230.990.130.890.600.941.630.650.270.282.070.551.241.571.350.510.830.80
L-2-amino-4-pentynoic acidME8962880.790.050.090.540.064.060.020.210.400.050.440.110.310.030.020.850.011.850.360.260.110.038.190.770.300.020.360.260.030.370.930.030.110.730.591.050.3217.550.521.430.190.212.441.920.020.350.080.620.170.440.482.170.280.198.000.455.890.200.100.210.160.090.100.410.120.120.255.320.480.370.251.050.730.090.071.430.140.492.695.120.020.300.351.090.279.000.120.310.560.132.370.130.160.490.610.260.160.050.110.360.130.161.530.140.780.050.780.120.372.140.330.075.160.622.971.080.520.380.430.030.290.092.302.480.360.270.340.330.021.270.181.800.080.180.331.290.030.350.040.320.460.350.380.183.929.401.131.79
Hippuric AcidME8962700.531.840.270.350.380.400.330.860.240.151.150.361.350.110.690.230.701.070.270.240.380.471.480.580.660.120.190.422.400.691.410.630.260.810.290.470.680.893.621.941.501.731.342.270.350.340.430.730.370.251.302.440.150.350.840.450.300.601.670.570.811.320.640.081.170.222.760.961.720.531.210.556.010.650.180.381.340.710.180.552.302.240.351.461.010.350.230.810.711.140.120.670.310.570.220.860.530.330.301.440.780.200.490.810.890.549.310.220.422.310.650.250.870.120.984.632.460.890.350.960.922.352.690.990.104.700.090.270.070.360.441.230.436.080.530.991.312.720.920.800.480.620.302.700.171.591.300.86
Maniwamycin AME8963090.070.070.160.180.140.920.110.510.140.110.100.100.440.100.160.150.780.130.121.900.500.130.110.120.140.120.560.120.130.120.130.111.720.520.170.121.170.121.460.571.031.980.140.120.120.140.390.170.1214.650.120.120.516.700.140.150.120.110.702.700.437.222.861.170.100.450.110.0712.330.270.760.411.372.100.130.140.190.120.140.370.760.120.1313.130.220.404.800.390.130.450.130.560.170.120.130.180.070.111.900.130.630.140.130.110.120.130.132.580.120.120.711.480.130.110.130.130.1341.884.440.180.080.130.120.123.320.080.070.071.880.071.510.080.292.370.960.080.120.370.080.100.100.080.080.080.730.080.370.99
Indole3ME8962810.781.540.570.650.670.640.350.710.640.671.100.491.340.410.580.670.831.150.440.630.620.251.172.920.642.812.530.571.680.741.020.712.601.100.980.490.820.791.721.251.571.410.971.550.752.600.670.670.571.770.601.460.620.691.050.510.160.611.202.420.691.230.600.150.922.251.771.111.390.421.000.902.970.620.750.581.100.601.770.911.081.200.421.120.650.721.600.870.630.900.190.760.150.570.420.600.651.460.210.850.670.180.490.620.640.484.710.722.281.470.840.270.970.630.712.071.400.700.720.620.711.261.270.640.182.080.550.380.340.222.511.160.602.850.671.170.751.520.860.550.480.760.591.640.400.791.380.65
BetanecholME8962061.801.530.830.611.572.720.610.690.960.760.630.630.910.470.731.060.850.630.490.770.932.292.912.061.360.560.322.231.850.520.420.600.310.370.290.160.360.330.580.600.570.813.783.543.853.380.280.250.570.400.800.610.330.251.100.920.400.380.330.392.744.380.170.272.402.350.810.930.360.250.540.600.180.530.310.220.570.710.610.680.210.320.660.890.470.810.240.700.440.710.140.140.870.571.963.210.220.181.030.700.632.964.390.500.460.700.760.390.301.330.520.850.560.272.581.390.241.070.712.941.400.931.012.750.203.250.540.470.671.140.200.290.323.440.220.985.013.160.313.910.410.582.480.904.352.470.681.10
N-oleoyl threonineME8963331.151.590.560.260.661.271.441.080.710.540.630.601.321.491.650.540.970.310.610.590.471.090.620.650.990.570.750.840.810.580.601.961.050.711.120.401.091.410.850.160.891.470.921.360.710.590.800.881.330.421.351.050.441.281.392.110.970.830.140.330.330.370.691.320.681.350.550.341.291.830.660.720.760.170.770.690.530.701.011.421.381.870.641.050.571.112.890.750.410.900.830.511.541.320.300.752.371.912.331.813.211.821.911.140.770.380.710.800.701.071.701.640.260.270.993.031.830.351.021.701.871.221.260.620.660.721.961.860.821.721.341.562.291.982.742.341.021.401.891.591.691.091.730.342.261.720.670.69
BilirubinME8962070.701.440.801.000.700.771.091.211.490.771.731.090.781.771.590.601.470.921.330.711.610.941.401.461.171.710.881.371.170.971.451.461.021.100.950.621.061.770.880.900.821.501.552.322.292.120.670.591.400.840.671.281.423.271.682.283.042.641.021.601.441.720.881.432.582.191.082.281.351.380.980.561.011.970.920.711.552.141.091.080.770.730.680.700.532.400.591.340.410.910.901.060.961.040.330.690.741.040.780.381.260.621.280.370.920.600.480.621.601.100.861.991.361.211.750.541.950.821.221.130.360.720.971.121.251.543.613.421.470.891.010.840.460.920.850.450.331.011.360.520.600.391.580.340.741.870.020.56
Bis(2-Ethylhexyl) PhthalateME8962080.201.230.071.840.540.750.110.620.231.170.340.720.370.491.580.670.700.710.440.700.490.460.560.551.241.300.210.361.130.460.612.700.091.503.713.510.431.240.261.047.1112.511.110.590.762.110.332.481.411.230.621.290.101.112.114.211.722.990.971.640.413.090.251.260.752.700.871.340.611.390.240.791.280.390.461.800.981.030.620.480.970.610.182.102.032.690.390.290.190.170.572.620.191.080.601.161.362.510.240.650.440.360.410.190.920.680.531.621.310.411.101.080.450.600.252.930.291.580.180.090.580.580.230.882.980.220.230.540.180.540.680.200.631.460.340.660.560.391.290.300.701.820.541.980.810.190.790.99
(3S)-3_6-DiaminohexanoateME8960861.210.941.190.750.901.071.260.911.110.981.060.900.900.941.181.050.921.361.281.361.200.881.030.940.901.271.101.030.771.271.070.961.040.911.030.891.080.831.271.461.070.830.961.021.070.771.261.151.490.940.921.041.001.051.241.251.021.111.571.201.310.940.950.620.700.771.141.080.970.771.001.021.120.991.041.011.201.271.010.860.901.261.281.121.071.121.161.150.951.381.051.151.180.951.231.430.970.761.691.131.121.161.181.331.161.451.361.241.001.101.200.900.871.041.061.181.110.901.240.821.121.471.140.961.021.471.321.110.961.281.330.940.880.991.141.201.121.091.180.971.051.001.011.171.200.990.790.96
ELV-N34ME8962580.560.231.640.500.540.680.370.570.840.180.460.900.583.360.910.840.310.880.670.780.630.490.751.830.433.150.921.610.601.740.910.772.712.071.700.600.741.441.480.390.421.950.410.311.330.332.290.550.200.321.660.811.791.180.691.641.761.240.560.662.440.871.161.100.310.731.152.390.600.651.800.630.690.550.681.141.471.330.452.280.570.781.984.151.351.140.190.450.781.921.521.200.721.000.910.580.800.581.541.631.810.460.861.200.550.520.611.422.100.520.910.960.290.650.640.782.631.882.470.610.482.130.640.450.700.841.631.781.590.622.060.750.691.560.460.410.640.704.011.530.521.932.950.340.241.940.591.00
3-Dehydroxycarnitine3ME8961430.990.551.000.660.420.960.471.071.160.950.950.481.531.032.160.651.470.860.490.840.870.561.271.090.490.780.510.660.521.170.941.310.981.431.051.301.090.942.290.820.710.980.410.580.530.650.860.640.521.510.980.560.581.380.920.960.911.080.330.490.991.220.930.780.680.980.720.400.540.851.121.050.830.700.701.391.281.031.051.601.512.531.481.380.791.100.791.031.141.631.520.780.640.501.121.560.560.430.811.141.210.651.261.050.731.441.041.111.110.821.490.921.340.481.601.641.071.913.131.081.101.750.830.650.400.661.701.010.792.050.760.801.170.891.541.581.921.280.741.221.551.231.051.321.660.801.071.53
Cyclo(D)-Pro-(D)-LeuME8962324.160.420.780.140.550.490.991.060.350.280.370.840.630.290.410.340.310.880.541.111.010.500.410.210.210.211.132.001.351.142.451.370.561.580.790.630.850.264.000.601.892.530.620.710.640.245.623.920.581.002.211.310.420.540.650.890.430.190.620.471.281.301.520.511.251.911.112.260.500.471.380.420.340.230.650.931.871.410.721.162.530.361.121.140.430.110.791.150.731.280.510.200.650.611.760.931.180.650.291.022.190.230.440.471.200.632.040.870.682.041.580.330.300.581.151.201.002.810.301.392.870.760.960.740.251.620.651.600.251.660.270.570.381.610.342.240.460.452.350.550.711.121.170.330.311.461.231.20
NegamycinME8963471.201.361.381.221.051.341.451.301.480.761.401.181.301.551.101.591.631.381.461.501.841.561.681.491.331.401.151.281.561.571.651.571.371.041.611.171.261.521.361.351.321.241.541.561.561.601.271.081.371.821.321.451.561.691.561.421.621.580.891.661.461.611.411.711.031.111.391.381.440.811.611.700.821.361.531.201.441.501.701.081.320.141.380.071.291.200.571.311.220.741.251.360.240.030.650.030.461.070.010.370.350.160.180.420.280.020.060.381.041.220.111.251.170.860.370.030.740.340.750.850.990.720.721.051.250.061.370.941.320.240.060.940.860.330.140.700.290.290.510.131.110.220.100.120.360.041.150.54
N-palmitoyl serineME8963350.540.670.530.260.480.741.791.020.560.480.540.601.251.451.150.410.760.330.500.580.421.290.710.671.020.420.630.740.620.470.541.490.920.590.940.671.231.390.550.190.731.270.791.160.770.711.140.741.850.681.191.010.741.351.161.140.990.720.300.750.300.250.842.050.551.050.480.510.761.061.160.860.610.270.730.900.640.650.811.541.812.381.000.860.851.463.690.910.540.721.630.921.571.250.460.803.491.891.593.723.561.802.210.980.810.651.331.040.930.991.521.130.320.280.841.792.010.651.211.771.821.341.310.550.470.422.341.941.101.542.121.333.051.771.722.221.010.571.501.531.261.082.060.831.761.220.710.60
N-alpha-AcetylarginineME8963232.462.370.820.721.110.451.790.870.510.251.700.880.261.400.732.650.923.253.940.781.150.891.141.220.371.180.732.012.301.881.200.311.312.010.711.932.461.710.674.294.023.641.000.880.880.722.661.050.621.140.281.532.541.081.771.731.182.190.481.722.773.361.430.371.040.821.202.092.180.211.470.750.590.502.142.442.091.480.430.510.660.470.730.461.550.150.200.300.260.361.070.790.280.170.181.140.591.690.080.340.270.160.180.800.270.190.440.181.210.290.960.451.101.450.410.151.120.200.230.180.210.200.180.742.610.610.470.331.240.300.580.170.210.180.290.320.301.040.200.190.840.640.350.430.161.161.090.81
Diacetone acrylamideME8962464.201.770.890.670.120.110.512.760.400.250.290.120.130.430.132.770.100.370.940.250.650.480.870.560.200.220.312.712.431.261.880.151.371.640.540.121.390.303.180.683.896.232.204.320.170.120.681.620.081.173.542.000.110.170.230.940.240.170.320.750.523.620.820.110.951.291.494.341.180.470.490.220.230.251.070.222.841.840.771.140.440.130.250.800.100.120.290.530.881.090.870.311.961.580.760.350.640.651.691.144.520.130.510.662.420.640.730.140.723.500.801.110.100.691.962.490.320.330.130.430.340.982.700.201.183.700.230.820.111.630.415.342.310.820.520.320.450.110.780.971.171.040.130.580.154.940.680.94
Leu-ProME8963020.921.220.790.860.621.020.991.010.841.011.030.781.410.911.280.851.121.141.170.961.160.920.810.940.780.570.771.251.471.251.361.610.680.633.260.761.161.111.271.031.271.211.171.011.451.270.810.871.671.211.170.911.041.371.751.461.221.086.501.360.781.050.841.300.870.960.770.920.670.691.050.911.530.721.090.950.941.090.790.800.800.840.621.271.001.430.900.780.720.830.970.730.820.821.161.281.150.860.771.001.021.130.781.260.941.051.030.880.930.830.750.790.930.861.131.041.161.371.651.310.521.400.951.191.851.421.350.890.651.291.051.050.651.251.411.661.380.971.211.270.981.180.911.041.140.870.700.80
2-hydroxyphenylaceticacidME8961202.360.530.700.550.600.520.670.800.580.500.540.530.470.480.670.500.440.691.500.480.510.590.450.770.560.450.532.261.462.124.800.690.620.990.680.560.460.581.010.540.830.702.152.170.550.480.830.710.590.501.551.810.490.500.580.540.540.510.551.110.670.690.580.592.013.361.333.800.550.600.810.500.510.530.470.791.680.760.510.641.350.490.760.480.480.470.471.150.754.691.310.460.611.801.371.341.251.410.552.102.640.440.480.632.320.651.070.470.484.054.730.590.530.512.430.550.610.590.521.492.940.623.900.580.772.860.630.940.553.600.460.490.571.570.650.630.520.520.790.511.401.290.460.690.542.740.721.18
5-MethoxyindoleacetateME8961750.580.530.810.230.890.670.570.420.460.491.000.670.450.700.774.040.310.350.721.271.010.900.790.570.560.351.400.850.751.610.630.780.350.401.610.421.480.841.530.601.300.601.151.241.020.641.231.321.601.611.370.861.170.811.301.180.440.491.191.390.911.000.830.390.560.700.650.651.251.330.630.731.620.220.851.471.220.810.940.880.720.521.445.801.040.371.110.930.521.740.360.711.070.690.980.941.150.800.470.991.000.910.570.570.790.970.751.470.730.770.870.220.420.710.950.980.494.931.560.651.231.531.051.930.891.250.940.340.351.510.621.932.360.971.372.271.731.391.081.310.901.571.172.771.490.131.170.92
EthionineME8962600.513.390.122.500.830.820.242.260.380.911.480.351.251.296.550.292.571.250.700.420.930.300.371.723.261.320.340.803.260.651.194.082.290.363.412.260.472.310.120.500.570.580.841.150.815.340.200.200.450.841.300.490.262.140.770.428.412.890.070.700.853.300.351.970.471.700.610.270.331.550.331.360.420.990.680.430.462.390.613.200.210.531.510.750.473.630.440.270.460.480.640.832.491.950.363.040.540.790.360.390.711.511.231.861.820.230.430.280.980.220.971.331.270.510.502.690.692.240.220.600.560.370.400.600.310.120.970.640.242.040.230.780.630.770.180.970.292.201.191.010.490.240.260.300.202.620.360.39
Ethyl terephthalateME8962610.420.451.761.130.050.111.061.310.140.010.890.210.340.060.182.690.100.620.400.580.481.611.510.740.400.040.920.210.590.390.171.021.080.700.130.690.531.122.531.572.131.281.081.560.030.040.400.580.140.105.191.790.900.551.871.590.060.041.990.810.300.270.040.040.320.060.120.273.963.850.110.573.610.580.760.590.380.640.150.710.410.790.100.810.200.114.621.060.430.220.130.030.630.370.210.251.480.812.080.820.610.400.200.572.390.320.470.440.830.410.281.210.211.130.131.070.330.101.202.660.152.610.720.251.240.890.310.410.1225.220.601.900.110.132.611.330.5013.803.142.000.102.290.321.100.330.880.610.78
N-palmitoyl glutamic acidME8963340.521.070.430.600.780.850.821.080.620.690.620.721.341.381.500.441.380.930.600.920.820.861.001.011.390.530.550.810.820.630.891.780.620.431.370.641.221.680.770.331.543.161.021.461.081.450.850.941.201.021.071.320.341.421.911.471.381.790.150.380.470.430.560.840.882.380.600.780.570.950.980.660.820.540.610.910.840.850.661.390.950.621.140.750.512.151.600.941.050.911.400.921.581.160.480.721.281.081.001.191.401.381.341.330.550.872.360.200.580.951.671.620.580.251.323.071.130.802.171.242.131.911.000.280.860.143.091.690.831.261.201.361.542.511.243.051.061.131.401.511.420.730.870.951.881.390.710.78
HypoxanthineME8962750.050.100.130.460.762.241.520.390.530.810.060.743.360.372.010.550.203.783.100.320.420.310.290.720.470.060.180.060.390.213.081.750.420.980.951.490.221.680.061.750.030.140.830.320.840.080.480.371.380.121.970.071.222.382.273.160.190.660.340.140.307.650.623.261.341.061.630.120.881.290.201.330.261.390.192.445.050.800.510.740.212.760.625.732.750.850.163.342.490.240.620.200.591.320.977.741.124.670.341.842.171.303.060.811.570.701.220.260.524.950.132.570.510.071.600.971.071.170.220.180.430.771.521.022.003.060.820.111.370.500.250.120.151.432.461.280.202.730.630.530.201.020.411.670.910.230.070.02
Cholacalcioic acidME8962200.150.170.560.040.051.180.760.060.040.560.330.232.450.175.810.320.051.080.561.061.335.112.910.280.340.261.290.140.221.311.470.250.862.060.120.030.100.040.501.621.9116.300.100.141.411.540.060.050.252.562.221.920.191.740.110.140.030.980.050.384.071.470.040.100.190.380.290.313.520.490.520.700.430.870.171.050.350.230.2526.880.242.390.060.550.230.150.403.088.950.090.310.240.070.110.691.470.210.480.950.280.130.110.100.050.073.320.500.051.260.085.082.810.061.620.030.360.750.160.850.035.700.430.040.060.140.060.100.040.040.090.600.030.033.601.630.042.600.030.290.230.420.200.171.120.070.040.410.51
Ecgonine2ME8962550.180.310.500.860.420.350.400.470.590.470.701.490.510.555.280.290.670.370.630.630.720.410.451.210.690.220.600.470.380.310.300.380.3117.891.601.460.382.130.350.960.370.170.380.631.190.640.290.420.350.650.280.391.180.352.340.630.320.750.410.380.280.350.580.330.570.260.970.300.620.160.381.521.580.305.290.570.250.350.591.680.380.400.540.970.282.100.400.522.040.310.320.340.912.520.700.680.270.381.000.370.330.390.452.540.350.820.300.300.280.331.020.920.310.300.321.093.940.970.370.171.615.410.330.580.460.320.372.355.251.930.430.370.331.120.620.693.345.263.531.750.360.610.971.130.432.121.051.73
2-Aminoacetophenone;O-AcetylanilineME8961160.680.470.780.962.080.751.100.430.710.281.581.520.381.380.651.900.951.481.501.371.541.160.741.430.551.400.781.971.772.571.080.710.730.481.060.830.811.460.711.582.631.881.551.391.380.910.650.480.980.811.000.912.290.960.780.871.321.040.721.081.791.721.880.981.350.430.822.011.610.741.811.361.741.450.910.812.181.740.800.680.810.670.841.400.790.421.190.700.610.870.750.610.590.900.780.600.710.530.730.800.830.770.690.980.901.080.740.780.420.590.810.520.871.151.020.990.920.740.530.570.580.980.670.511.880.550.690.450.850.880.810.500.451.231.110.841.080.950.971.280.880.730.841.150.750.731.281.01
BrevioximeME8962110.180.130.640.280.090.270.390.192.104.220.220.750.190.250.140.850.110.980.120.352.254.990.460.260.210.092.223.801.491.810.840.093.910.342.352.442.801.160.290.280.240.780.810.680.250.161.751.690.970.320.250.150.600.880.270.291.830.680.260.322.492.790.100.180.120.102.321.171.001.750.170.090.290.170.260.130.671.031.580.260.520.131.290.121.310.152.522.200.430.430.340.093.120.800.851.111.810.150.501.521.460.921.100.360.271.311.272.761.420.400.200.640.110.221.480.463.494.520.321.730.450.241.734.780.130.630.390.290.681.100.150.260.651.770.680.690.401.540.261.930.273.092.880.120.220.421.520.56
Ethyl Tumonoate AME8962620.450.940.570.350.460.821.300.900.990.840.750.891.771.921.560.380.840.380.530.540.451.320.820.831.150.390.660.840.660.370.592.221.080.740.740.391.251.390.710.270.560.860.621.011.200.851.170.751.680.681.220.810.851.381.021.051.681.110.210.490.360.320.591.560.411.160.610.520.750.921.190.650.320.320.700.810.830.960.901.761.711.931.090.650.921.503.221.120.580.601.290.921.571.370.520.873.571.462.212.202.371.842.201.390.940.531.100.710.840.971.331.530.410.380.612.191.860.601.902.000.991.330.890.450.450.513.642.581.511.401.620.962.101.851.551.880.870.741.401.781.231.021.870.661.831.480.710.62

Factors:

F1Sample type:HHEAR_H-2JWW7-PH-00
F2Sample type:HHEAR_H-2JWX4-PH-00
F3Sample type:HHEAR_H-2JX01-PH-00
F4Sample type:HHEAR_H-2JX43-PH-00
F5Sample type:HHEAR_H-2JXX3-PH-00
F6Sample type:HHEAR_H-2JYK1-PH-00
F7Sample type:HHEAR_H-2JYR6-PH-00
F8Sample type:HHEAR_H-2JYY0-PH-00
F9Sample type:HHEAR_H-2JZ25-PH-00
F10Sample type:HHEAR_H-2JZ66-PH-00
F11Sample type:HHEAR_H-2JZM6-PH-00
F12Sample type:HHEAR_H-2JZN3-PH-00
F13Sample type:HHEAR_H-2JZQ7-PH-00
F14Sample type:HHEAR_H-2JZR5-PH-00
F15Sample type:HHEAR_H-2K025-PH-00
F16Sample type:HHEAR_H-2K058-PH-00
F17Sample type:HHEAR_H-2K066-PH-00
F18Sample type:HHEAR_H-2K082-PH-00
F19Sample type:HHEAR_H-2K0G9-PH-00
F20Sample type:HHEAR_H-2K0L8-PH-00
F21Sample type:HHEAR_H-2K0M6-PH-00
F22Sample type:HHEAR_H-2K0V6-PH-00
F23Sample type:HHEAR_H-2K0W4-PH-00
F24Sample type:HHEAR_H-2K124-PH-00
F25Sample type:HHEAR_H-2K132-PH-00
F26Sample type:HHEAR_H-2K140-PH-00
F27Sample type:HHEAR_H-2K157-PH-00
F28Sample type:HHEAR_H-2K1B9-PH-00
F29Sample type:HHEAR_H-2K1L7-PH-00
F30Sample type:HHEAR_H-2K1V5-PH-00
F31Sample type:HHEAR_H-2K215-PH-00
F32Sample type:HHEAR_H-2K223-PH-00
F33Sample type:HHEAR_H-2K264-PH-00
F34Sample type:HHEAR_H-2K298-PH-00
F35Sample type:HHEAR_H-2K2A0-PH-00
F36Sample type:HHEAR_H-2K2B8-PH-00
F37Sample type:HHEAR_H-2K2C6-PH-00
F38Sample type:HHEAR_H-2K2G7-PH-00
F39Sample type:HHEAR_H-2K2U6-PH-00
F40Sample type:HHEAR_H-2K363-PH-00
F41Sample type:HHEAR_H-2K3G6-PH-00
F42Sample type:HHEAR_H-2K3H4-PH-00
F43Sample type:HHEAR_H-2K3L5-PH-00
F44Sample type:HHEAR_H-2K3Q4-PH-00
F45Sample type:HHEAR_H-2K3U5-PH-00
F46Sample type:HHEAR_H-2K3W1-PH-00
F47Sample type:HHEAR_H-2K439-PH-00
F48Sample type:HHEAR_H-2K454-PH-00
F49Sample type:HHEAR_H-2K462-PH-00
F50Sample type:HHEAR_H-2K4D1-PH-00
F51Sample type:HHEAR_H-2K4H3-PH-00
F52Sample type:HHEAR_H-2K4P5-PH-00
F53Sample type:HHEAR_H-2K4T6-PH-00
F54Sample type:HHEAR_H-2K4U4-PH-00
F55Sample type:HHEAR_H-2K538-PH-00
F56Sample type:HHEAR_H-2K561-PH-00
F57Sample type:HHEAR_H-2K595-PH-00
F58Sample type:HHEAR_H-2K5B5-PH-00
F59Sample type:HHEAR_H-2K5G4-PH-00
F60Sample type:HHEAR_H-2K5V1-PH-00
F61Sample type:HHEAR_H-2K5W9-PH-00
F62Sample type:HHEAR_H-2K5X6-PH-00
F63Sample type:HHEAR_H-2K5Y4-PH-00
F64Sample type:HHEAR_H-2K678-PH-00
F65Sample type:HHEAR_H-2K694-PH-00
F66Sample type:HHEAR_H-2K6A6-PH-00
F67Sample type:HHEAR_H-2K6C2-PH-00
F68Sample type:HHEAR_H-2K6L2-PH-00
F69Sample type:HHEAR_H-2K6Q1-PH-00
F70Sample type:HHEAR_H-2K6R9-PH-00
F71Sample type:HHEAR_H-2K777-PH-00
F72Sample type:HHEAR_H-2K7B3-PH-00
F73Sample type:HHEAR_H-2K7J5-PH-00
F74Sample type:HHEAR_H-2K7M9-PH-00
F75Sample type:HHEAR_H-2K7P2-PH-00
F76Sample type:HHEAR_H-2K7Q0-PH-00
F77Sample type:HHEAR_H-2K7T3-PH-00
F78Sample type:HHEAR_H-2K7V9-PH-00
F79Sample type:HHEAR_H-2K7W7-PH-00
F80Sample type:HHEAR_H-2K801-PH-00
F81Sample type:HHEAR_H-2K843-PH-00
F82Sample type:HHEAR_H-2K850-PH-00
F83Sample type:HHEAR_H-2K884-PH-00
F84Sample type:HHEAR_H-4M3Q8-PH-00
F85Sample type:HHEAR_H-6DK03-PH-00
F86Sample type:HHEAR_H-6DK52-PH-00
F87Sample type:HHEAR_H-6DLS5-PH-00
F88Sample type:HHEAR_H-6DNJ3-PH-00
F89Sample type:HHEAR_H-6DP16-PH-00
F90Sample type:HHEAR_H-6DQH5-PH-00
F91Sample type:HHEAR_H-6DR89-PH-00
F92Sample type:HHEAR_H-6DS21-PH-00
F93Sample type:HHEAR_H-6DSF7-PH-00
F94Sample type:HHEAR_H-6DT79-PH-00
F95Sample type:HHEAR_H-6DU11-PH-00
F96Sample type:HHEAR_H-6DUV0-PH-00
F97Sample type:HHEAR_H-6DVA5-PH-00
F98Sample type:HHEAR_H-6DW19-PH-00
F99Sample type:HHEAR_H-6DWU0-PH-00
F100Sample type:HHEAR_H-6DX67-PH-00
F101Sample type:HHEAR_H-6DXR6-PH-00
F102Sample type:HHEAR_H-6DZY8-PH-00
F103Sample type:HHEAR_H-6E0X0-PH-00
F104Sample type:HHEAR_H-6E2G6-PH-00
F105Sample type:HHEAR_H-6E4G4-PH-00
F106Sample type:HHEAR_H-6E4J7-PH-00
F107Sample type:HHEAR_H-6E537-PH-00
F108Sample type:HHEAR_H-6E958-PH-00
F109Sample type:HHEAR_H-6EAW6-PH-00
F110Sample type:HHEAR_H-6EBL9-PH-00
F111Sample type:HHEAR_H-6ECY9-PH-00
F112Sample type:HHEAR_H-6ED08-PH-00
F113Sample type:HHEAR_H-6EDR4-PH-00
F114Sample type:HHEAR_H-6EE15-PH-00
F115Sample type:HHEAR_H-6EF89-PH-00
F116Sample type:HHEAR_H-6EG88-PH-00
F117Sample type:HHEAR_H-6EHT5-PH-00
F118Sample type:HHEAR_H-6EJ85-PH-00
F119Sample type:HHEAR_H-6EJL1-PH-00
F120Sample type:HHEAR_H-6EK01-PH-00
F121Sample type:HHEAR_H-6EK76-PH-00
F122Sample type:HHEAR_H-6ELB1-PH-00
F123Sample type:HHEAR_H-6ELQ8-PH-00
F124Sample type:HHEAR_H-6EMA2-PH-00
F125Sample type:HHEAR_H-6EPB7-PH-00
F126Sample type:HHEAR_H-8CZF1-PH-00
F127Sample type:HHEAR_H-9K5J0-PH-00
F128Sample type:HHEAR_H-BGRT9-PH-00
F129Sample type:HHEAR_H-BU6E9-PH-00
F130Sample type:HHEAR_H-CG704-PH-00
F131Sample type:HHEAR_H-CJMW0-PH-00
F132Sample type:HHEAR_H-D2R10-PH-00
F133Sample type:HHEAR_H-FLQM1-PH-00
F134Sample type:HHEAR_H-JDQC6-PH-00
F135Sample type:HHEAR_H-K00C2-PH-00
F136Sample type:HHEAR_H-K3CQ6-PH-00
F137Sample type:HHEAR_H-MUPA1-PH-00
F138Sample type:HHEAR_H-P5AX2-PH-00
F139Sample type:HHEAR_H-S0393-PH-00
F140Sample type:HHEAR_H-SSV91-PH-00
F141Sample type:HHEAR_H-UE817-PH-00
F142Sample type:HHEAR_H-VTVD1-PH-00
F143Sample type:HHEAR_H-WPVY3-PH-00
F144Sample type:HHEAR_H-XM2W0-PH-00
F145Sample type:HHEAR_H-YEZ27-PH-00
F146Sample type:HHEAR_H-YTAE7-PH-00
F147Sample type:HHEAR_ref
F148Sample type:NIST
Data matrix
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