Clustering data with hclust algorithm for (Study ST002576)

(Analysis AN005610)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53F54F55F56F57F58F59F60F61F62F63F64F65F66F67F68F69F70F71F72F73F74F75F76F77F78F79F80F81F82F83F84F85F86F87F88F89F90F91F92F93F94F95F96F97F98F99F100F101F102F103F104F105F106F107F108F109F110F111F112F113F114F115F116F117F118F119F120F121F122F123F124F125F126F127F128F129F130F131F132F133F134F135F136F137F138F139F140F141F142F143F144F145F146F147F148
CortisoneME8957640.030.040.060.030.183.160.030.040.030.060.020.543.170.020.040.020.020.020.032.003.650.040.030.020.050.020.050.024.870.020.030.030.020.0537.564.800.020.030.010.040.030.030.020.030.030.0413.140.050.030.040.030.020.020.020.020.040.020.023.470.020.020.020.080.030.050.040.020.030.030.0612.234.420.030.040.030.060.030.020.020.040.120.060.110.120.070.100.110.090.080.100.280.070.090.090.080.110.080.100.090.070.100.100.090.100.070.080.090.100.090.070.140.060.030.020.060.090.100.120.070.160.150.090.090.070.030.090.140.090.070.070.090.100.200.090.130.180.100.120.110.1167.060.110.090.080.100.090.350.06
UNII:W45XXM0XWEME8959110.610.361.111.710.740.610.390.390.410.300.470.771.170.520.650.540.380.540.620.340.645.740.900.430.420.460.340.600.400.590.670.380.520.690.450.940.440.470.960.990.590.530.570.490.490.580.660.454.140.320.430.310.340.331.850.490.580.382.450.360.430.880.600.441.010.490.870.670.660.810.510.600.360.760.620.650.420.540.370.431.712.820.420.650.320.560.340.340.611.190.390.440.480.630.320.510.530.680.500.450.541.731.110.480.490.410.460.450.340.352.390.310.650.690.290.570.3555.730.320.660.450.370.320.320.750.440.420.350.310.380.390.560.420.300.570.460.370.370.250.370.380.300.360.710.363.140.830.58
Triphenylphosphine oxideME8959090.393.280.350.090.250.430.450.160.280.190.270.860.710.060.120.310.460.810.210.490.141.411.360.410.370.120.691.390.240.422.150.410.140.290.470.120.560.110.380.080.480.100.180.131.852.340.410.160.390.100.238.490.223.020.390.230.930.650.370.170.270.394.280.130.160.250.410.361.130.710.230.140.200.491.460.471.010.900.200.130.301.000.220.090.1251.051.560.250.090.541.0416.580.370.190.420.190.040.120.180.370.481.310.160.390.390.6613.310.140.181.681.600.170.290.300.360.820.210.350.760.260.290.130.050.110.160.050.182.000.170.381.430.140.060.120.100.320.800.191.110.250.180.090.210.390.260.090.550.48
Tributyl citrate acetateME8959070.470.530.500.350.340.840.220.600.160.540.280.380.810.260.510.220.220.260.250.931.020.450.180.240.610.250.480.2513.090.250.340.610.210.4611.541.250.150.250.170.290.310.330.240.210.260.263.240.460.490.490.200.210.140.260.190.160.260.237.480.310.320.210.890.280.360.500.140.320.230.513.111.260.260.280.230.500.250.240.240.530.610.570.620.650.680.680.520.580.670.5837.080.551.491.230.560.690.650.620.630.640.770.660.690.660.450.800.650.780.650.550.700.520.230.210.510.520.600.680.560.701.910.650.540.490.290.5811.010.680.480.820.720.650.710.600.589.670.720.650.620.700.640.760.660.590.610.610.370.45
Geumsanol CME8957880.140.210.550.200.111.201.120.110.060.310.390.242.390.356.260.470.160.470.550.831.277.013.380.330.130.241.280.180.121.711.220.190.481.990.040.070.200.090.562.141.9615.480.070.181.401.310.170.120.162.192.752.070.431.400.020.130.030.580.060.414.291.400.120.120.230.350.180.273.890.410.500.650.691.070.320.920.330.160.2622.690.272.880.260.460.340.150.343.369.830.100.070.100.210.150.720.680.130.170.960.400.100.200.140.030.063.380.410.100.640.065.173.260.201.740.150.410.210.210.060.074.790.220.120.100.150.100.370.020.050.160.520.020.033.191.570.112.720.020.110.360.420.280.121.290.210.050.540.63
ChenodeoxyglycocholateME8957560.197.180.084.790.140.470.120.430.170.590.800.070.230.301.610.120.850.560.032.010.380.350.650.699.300.250.230.640.440.230.262.010.251.451.592.480.130.640.820.701.053.190.360.272.344.111.121.160.980.320.900.180.380.490.310.372.290.130.101.020.320.340.034.900.721.880.510.700.270.770.340.490.330.252.630.460.130.720.330.350.150.200.121.760.050.244.660.620.330.100.9310.010.275.471.252.441.3025.090.340.070.280.460.060.180.070.560.510.551.420.160.331.031.910.620.710.280.600.490.150.070.340.790.080.090.840.270.170.210.230.411.040.200.540.330.300.210.080.030.940.190.510.400.310.690.340.270.850.76
F1839-BME8957860.506.300.141.180.190.450.090.710.231.430.300.190.120.331.490.250.680.390.341.710.310.370.560.608.270.220.220.560.550.200.294.090.341.382.873.450.101.130.710.702.204.380.440.600.936.161.010.990.840.320.120.230.330.470.370.984.220.910.080.850.120.350.074.510.371.550.620.370.331.320.080.680.350.414.660.530.711.400.290.300.240.240.161.700.160.233.850.570.450.091.708.500.584.801.181.681.0220.480.380.330.760.410.070.300.260.610.410.171.090.270.211.062.060.781.180.330.760.490.230.130.280.620.290.200.800.250.240.170.220.531.550.320.430.460.510.190.100.211.770.160.830.280.290.390.110.430.670.74
I-UrobilinME8957970.150.140.430.581.740.650.260.600.660.230.213.843.421.4715.500.051.330.030.030.881.610.200.630.120.202.980.530.031.790.130.362.741.570.150.650.700.310.280.610.130.3914.020.030.070.3911.690.030.030.062.560.630.430.531.631.191.470.374.100.450.740.444.650.100.830.921.020.030.100.120.390.350.440.970.730.032.050.290.900.301.990.745.270.030.380.282.531.100.240.230.150.030.030.030.100.480.541.140.952.100.030.030.081.060.090.030.480.090.790.900.060.119.460.971.400.060.220.100.780.520.770.580.070.390.032.400.322.990.970.020.031.170.031.520.670.140.160.420.030.450.110.230.080.520.190.220.040.981.32
N-linoleoyl dopamineME8958350.060.060.050.180.070.050.310.180.060.060.145.638.820.060.050.050.140.990.250.060.062.831.550.210.050.390.059.680.060.520.180.050.060.050.150.061.632.720.160.070.210.060.060.063.510.061.704.790.070.050.050.090.050.060.050.052.300.910.050.060.810.050.110.060.070.060.140.621.011.190.100.090.191.030.430.053.762.720.610.060.530.488.700.052.880.050.060.100.188.162.821.701.543.530.060.050.070.050.061.283.940.050.060.060.047.142.917.389.260.060.330.060.070.050.200.056.502.690.060.060.050.050.110.360.050.052.150.280.060.721.961.390.160.050.060.491.300.060.066.810.050.060.112.170.060.050.870.48
3-(3,4,5-trimethoxyphenyl)propanoic acidME8957190.410.391.931.620.090.081.171.310.150.271.220.260.380.180.153.340.080.620.450.620.452.191.410.890.370.010.990.200.620.420.171.111.240.770.130.890.521.352.891.942.311.421.251.610.040.050.390.480.070.105.902.091.120.611.781.530.100.052.230.870.300.240.030.030.390.110.110.294.253.660.100.523.770.680.890.520.350.640.140.570.450.650.060.630.170.084.231.090.590.190.130.040.650.350.180.231.580.831.810.780.510.340.150.452.290.320.510.390.940.410.201.240.271.260.080.860.250.161.052.780.082.220.660.241.620.780.290.290.1117.590.542.000.080.112.341.150.4311.792.921.680.091.670.230.930.250.690.980.76
N,N^-DiphenylguanidineME8958460.010.010.150.700.290.210.220.770.290.090.230.110.170.441.773.521.040.131.220.030.050.020.120.672.381.480.360.281.010.720.080.320.310.770.011.000.479.620.220.650.011.070.500.580.530.151.370.170.630.801.400.140.430.844.100.062.795.042.180.541.280.862.210.640.642.570.111.170.780.052.741.850.071.050.183.180.610.121.770.060.510.010.421.600.450.232.030.120.070.075.760.130.383.871.164.994.480.412.160.761.5914.112.780.413.760.660.650.490.611.250.090.181.121.380.352.113.481.100.720.211.840.550.591.231.640.020.782.540.300.430.501.821.200.492.360.471.670.090.621.400.277.740.530.430.202.050.010.01
SolasodineME8958930.710.060.751.030.490.030.040.030.520.180.201.280.732.660.280.780.620.101.030.030.480.260.432.270.093.510.290.090.038.951.990.420.900.454.150.270.710.251.340.410.970.601.010.088.080.750.130.230.480.700.150.640.660.290.791.120.140.170.330.044.042.052.320.950.030.164.734.190.130.113.382.563.100.903.221.670.450.741.560.070.030.040.550.950.140.420.030.890.540.550.250.100.070.031.460.032.580.590.630.100.210.560.170.714.000.210.220.420.180.640.040.980.030.0311.130.390.380.120.170.093.122.581.430.841.880.120.326.040.853.410.580.113.350.380.182.940.060.590.030.600.810.131.340.480.040.030.960.57
Docosahexaenoic acid ethyl esterME8957821.410.711.170.260.811.450.780.240.220.840.891.281.461.551.460.290.481.640.830.031.884.382.180.100.121.420.900.690.851.641.170.360.120.570.370.090.390.390.121.893.0610.840.451.032.210.830.380.611.011.560.991.070.130.451.341.620.371.220.050.124.500.620.610.150.330.380.840.451.850.930.300.210.630.720.811.840.920.760.7110.440.990.810.270.790.850.310.030.012.801.800.741.410.390.641.380.410.711.680.121.180.500.010.580.940.154.520.730.881.530.741.150.960.472.231.670.361.031.073.270.150.400.700.581.080.540.340.160.340.200.640.440.490.812.770.121.161.140.220.520.021.131.110.691.820.290.231.070.87
LMST04010233_1ME8958170.720.580.860.650.270.540.860.280.390.521.980.551.410.601.940.140.451.841.412.321.502.573.370.442.300.841.381.881.242.131.512.151.991.100.680.880.270.361.202.175.6621.900.180.370.921.460.430.250.391.072.861.580.691.341.710.980.500.430.160.371.300.660.650.671.030.850.450.561.460.830.420.350.742.541.541.941.530.981.155.050.711.870.570.380.520.411.001.413.680.290.430.400.520.571.102.760.370.631.160.360.220.410.270.390.172.901.880.441.161.111.282.291.351.871.030.181.210.720.680.181.680.190.300.301.020.200.410.120.180.450.750.170.150.880.560.080.920.430.580.230.870.070.281.100.460.120.330.66
9-Decenoylcarnitine3ME8957400.110.240.110.130.120.630.240.140.110.130.480.110.120.530.101.650.110.473.550.131.080.120.143.790.700.130.130.220.132.202.190.110.130.120.990.220.800.240.933.061.260.414.781.520.100.100.932.390.140.120.313.150.140.240.791.370.120.110.120.270.280.100.110.120.860.194.233.110.490.330.710.110.120.321.210.120.100.110.130.110.660.352.560.130.440.120.110.320.440.300.130.110.840.660.180.150.322.460.520.311.390.120.100.120.220.360.230.740.210.390.120.430.110.150.121.680.112.071.380.864.611.794.420.160.545.570.100.120.243.571.190.901.521.5413.100.810.622.182.342.480.750.131.794.511.642.831.611.76
(2S)-2-Amino-8-hydroxyoctanoic acidME8956830.980.791.301.270.921.080.680.690.450.471.141.301.980.300.2014.410.620.491.190.320.380.380.560.840.900.261.120.621.060.991.240.570.920.430.280.551.511.792.352.173.833.331.611.150.320.295.475.640.240.191.971.311.891.810.910.470.490.521.451.130.790.760.300.380.670.840.791.783.903.560.380.750.480.692.131.440.430.560.360.360.771.210.370.700.520.273.240.670.690.750.410.580.670.530.670.271.340.992.200.330.530.800.840.520.620.920.980.311.891.770.891.341.271.750.331.270.590.230.435.000.550.940.580.571.330.890.310.920.371.350.252.750.260.190.630.310.300.390.501.640.441.760.290.670.290.420.481.06
Phthalic anhydrideME8958840.180.830.170.380.710.770.140.160.150.120.330.240.790.160.150.190.200.140.220.580.875.710.260.130.160.510.240.131.130.300.200.150.150.197.640.910.190.120.150.190.150.310.140.140.140.153.010.520.290.160.140.340.170.140.170.170.150.660.850.180.151.220.174.361.980.190.160.150.140.192.441.050.130.240.160.140.160.142.240.180.170.200.650.900.170.190.210.180.200.210.270.300.190.180.160.420.190.240.200.190.320.210.410.500.170.210.330.260.160.200.220.250.150.135.000.190.200.210.400.175.263.800.190.250.140.160.510.200.920.240.230.200.210.240.240.260.620.190.260.300.330.290.210.229.790.773.871.55
gamma-GlutamylleucineME8957873.521.581.240.110.212.200.430.920.330.230.250.050.062.041.500.660.490.050.251.420.331.337.450.632.120.190.120.070.050.250.450.130.262.660.320.051.150.641.300.340.210.210.320.530.280.200.511.770.410.690.882.230.310.500.540.670.450.050.820.050.120.100.050.550.040.640.090.980.050.600.060.160.260.040.371.710.060.060.063.010.380.220.340.050.240.530.560.922.090.240.550.380.980.974.016.980.150.350.391.200.410.910.550.584.121.953.180.210.287.510.770.610.250.201.921.461.062.160.130.390.290.069.752.900.041.040.932.900.187.210.291.260.211.570.540.800.502.190.681.081.712.110.201.908.245.050.630.60
trans-3-Indoleacrylic acidME8959052.501.390.900.611.082.130.490.670.320.221.610.110.141.890.960.860.560.381.150.960.821.385.902.001.220.310.250.460.231.391.330.220.352.210.370.421.062.611.161.540.901.031.242.741.702.090.441.410.430.500.722.102.072.400.530.811.140.200.610.290.670.940.160.090.230.520.183.970.150.460.270.550.450.331.221.130.300.350.431.930.400.230.350.220.350.350.600.691.280.430.540.340.650.943.004.020.210.450.391.030.460.570.520.482.291.202.230.230.314.060.670.441.060.341.141.230.681.270.220.360.320.206.291.820.230.810.641.880.254.330.291.130.271.110.470.740.491.490.690.751.271.520.231.615.254.460.870.96
(R)-NorcoclaurineME8956870.300.920.130.060.040.030.230.320.150.031.782.104.442.240.034.790.100.831.363.610.090.040.040.780.170.220.300.290.037.720.340.030.030.040.323.582.200.092.990.243.510.160.110.060.050.046.210.660.040.041.402.461.900.140.260.310.040.030.040.043.030.590.850.410.030.059.624.362.281.961.920.370.280.245.920.280.030.031.230.160.710.760.231.480.400.030.250.740.051.580.100.050.120.303.500.240.320.031.290.531.180.070.030.060.434.360.171.330.620.330.390.580.990.030.021.310.220.031.130.030.470.530.400.742.021.040.080.030.500.082.596.810.032.331.130.632.960.300.745.900.050.040.813.050.470.061.010.77
CJ-16,169_2ME8957590.430.560.470.180.060.300.250.130.130.073.291.700.972.050.052.700.050.270.940.850.630.090.112.200.410.830.570.350.0412.203.190.240.060.060.501.921.340.082.320.974.290.731.120.120.050.055.193.080.060.071.153.311.020.510.310.420.050.310.130.122.471.040.520.500.070.094.346.874.291.691.710.280.820.362.870.200.090.190.800.071.300.180.620.220.550.200.080.510.070.790.480.050.720.181.990.150.230.200.750.340.420.040.050.160.121.660.353.490.430.741.481.642.520.150.071.120.240.090.310.600.560.430.500.857.670.390.170.060.140.190.670.750.070.660.900.160.700.251.731.320.090.120.180.680.160.091.592.21
Azanthromicin AME8957470.160.580.490.420.040.200.320.200.090.031.160.310.351.050.042.700.080.362.190.390.800.060.191.660.550.670.150.220.045.992.950.030.050.030.501.301.340.190.841.452.400.501.260.450.030.061.553.290.030.080.382.680.600.520.330.520.030.030.040.211.761.100.340.510.220.065.018.432.311.621.320.290.530.623.750.710.030.030.730.191.470.590.901.870.720.040.150.830.231.240.670.210.930.371.910.230.560.691.150.721.500.110.070.190.581.330.392.810.890.510.440.690.400.050.062.280.280.712.060.821.251.902.060.482.662.830.280.050.521.382.553.080.182.325.831.302.851.541.614.970.330.150.815.531.870.920.871.34
CJ-16,169_1ME8957580.230.510.640.290.120.410.400.140.170.012.411.370.591.300.151.870.170.291.030.750.750.050.111.930.420.950.540.460.067.782.850.040.120.030.431.581.060.151.711.193.470.861.280.350.090.054.893.270.070.080.832.051.210.510.410.510.150.060.170.292.061.500.660.800.030.064.307.174.782.372.230.501.110.483.240.410.220.031.130.291.660.650.750.681.080.040.161.110.101.621.130.161.680.612.640.320.540.581.580.861.230.190.130.460.642.890.776.131.090.470.400.580.500.060.162.380.580.320.871.021.121.541.742.462.111.510.630.130.460.941.952.160.182.172.580.741.890.892.682.840.230.490.631.780.610.480.590.68
PiperineME8958850.361.051.240.960.170.130.490.340.400.051.741.111.781.920.162.670.250.731.491.450.810.210.150.940.460.930.730.400.034.661.270.140.150.040.612.641.950.281.730.693.420.490.500.250.130.112.402.170.100.200.931.891.200.560.440.540.140.160.200.242.752.180.910.810.120.103.654.382.792.522.330.570.880.513.830.940.160.051.620.441.570.910.711.560.950.040.641.180.191.520.770.210.710.403.320.340.830.211.300.861.020.190.100.330.842.320.642.771.180.710.881.041.210.100.061.740.700.221.510.840.641.010.821.012.851.360.430.070.750.552.063.610.082.181.781.003.180.771.363.690.250.390.842.901.120.400.880.86
3-hydroxy-2-N-iso-butyryl-anthranilamideME8957200.390.040.270.010.690.560.040.012.252.990.203.460.980.060.301.080.020.300.092.311.782.490.100.040.040.012.613.742.811.010.580.011.550.263.871.620.500.350.130.100.572.031.760.420.070.023.922.802.641.210.030.031.831.100.370.164.772.540.480.143.022.640.090.020.020.042.992.792.832.800.030.020.010.070.020.172.161.432.870.780.120.232.900.102.550.191.793.360.040.010.170.013.611.623.522.033.110.020.053.012.113.492.090.060.073.874.062.900.940.040.021.710.010.142.210.032.382.130.020.561.130.041.211.910.010.170.280.360.372.050.010.020.061.460.570.150.030.893.283.300.121.752.320.090.080.040.240.43
PantetheineME8958560.040.130.210.050.120.080.040.111.455.180.141.110.260.050.041.050.120.890.040.952.416.250.050.040.040.043.206.462.092.870.570.125.260.153.303.402.731.020.040.160.670.930.930.420.180.091.991.821.330.220.090.120.721.020.100.103.370.690.060.223.984.050.120.130.120.132.842.361.352.000.100.090.110.040.080.040.730.993.230.060.050.241.780.181.300.092.312.280.040.040.100.154.521.431.261.001.980.130.081.451.300.970.820.160.041.231.404.051.170.040.040.420.040.131.600.043.405.310.100.500.410.151.514.330.040.050.150.100.110.810.160.100.041.040.210.120.051.140.232.080.212.283.300.160.040.061.110.81
CaffeineME8957541.920.020.580.311.840.071.110.200.050.040.201.120.070.000.570.260.010.510.030.710.260.060.040.000.050.301.340.190.340.213.701.030.024.681.030.250.180.053.261.631.464.550.770.490.330.283.842.920.470.070.390.190.420.090.010.130.310.260.920.611.804.460.320.020.040.150.051.550.060.101.510.910.000.030.110.324.581.971.101.810.560.221.460.000.520.090.020.731.250.850.390.030.140.122.240.332.740.182.840.720.4712.220.020.461.070.482.870.120.150.186.200.010.030.040.923.511.790.010.240.594.310.261.011.050.020.060.000.130.010.940.121.090.013.630.010.840.730.012.811.770.021.660.520.100.020.361.881.21
ParaxanthineME8958581.330.070.890.212.690.402.110.510.100.040.341.050.100.031.060.330.040.580.080.910.480.250.170.000.240.400.800.570.880.594.041.210.112.700.930.300.600.203.232.051.153.551.940.810.980.612.332.400.880.340.960.730.630.370.060.380.680.431.321.512.301.430.670.050.110.490.172.500.060.131.911.180.000.160.360.803.292.291.172.041.000.451.670.000.660.310.031.041.012.130.700.240.540.362.710.671.610.491.411.301.5710.760.150.821.990.473.330.340.300.422.560.020.070.141.793.161.990.000.750.863.100.552.740.680.010.320.010.280.032.310.261.340.092.530.061.770.620.081.791.750.261.130.760.360.090.551.241.05
N1-acetyl-N7-4″-methyl-3″-pentenoyl cadaverineME8958500.230.401.802.063.187.640.250.421.040.722.663.529.130.200.240.460.741.030.942.914.840.150.250.540.470.610.761.652.040.410.570.431.053.212.305.680.430.200.390.410.250.480.620.821.543.112.400.250.572.660.300.250.330.751.873.590.260.433.570.300.672.460.170.270.200.450.570.962.854.314.435.060.760.210.560.400.401.061.461.570.180.190.220.790.300.380.471.191.460.440.160.170.340.360.230.570.891.380.200.140.280.340.320.730.670.590.890.550.610.510.350.182.971.340.150.640.510.670.931.130.420.430.550.180.260.170.840.770.160.460.561.830.930.100.740.750.200.650.080.310.950.270.500.380.110.370.930.15
2-dehydro-3-deoxy-D-arabinonic acid1ME8957090.280.330.823.015.463.740.300.400.370.401.104.882.350.300.370.300.370.450.282.332.010.300.300.290.430.380.440.351.180.200.270.380.400.961.917.240.500.140.610.800.160.170.230.240.361.043.110.210.680.610.280.270.240.520.562.160.270.213.980.210.210.390.140.630.130.390.330.230.932.935.024.080.450.120.230.400.200.270.701.780.370.470.460.490.480.340.475.375.273.890.300.200.450.520.470.435.278.022.340.400.390.480.360.440.230.992.780.480.350.310.370.161.280.330.230.550.290.490.227.331.640.530.470.220.440.300.190.320.150.480.504.034.050.280.470.470.360.460.320.370.430.530.420.560.430.280.900.28
2-dehydro-3-deoxy-D-arabinonic acid2ME8957100.510.591.422.874.263.990.510.610.500.661.513.402.570.480.610.450.480.540.352.502.340.540.480.410.640.470.580.380.980.290.330.550.511.661.984.730.580.190.590.330.250.200.290.290.441.612.850.501.170.910.460.470.350.600.822.450.380.293.480.330.240.470.190.410.150.580.510.291.422.933.403.130.540.150.350.690.330.341.192.160.590.690.710.660.670.470.754.174.402.300.510.310.600.720.690.673.755.681.660.660.610.660.510.630.321.032.810.720.480.450.610.311.430.430.270.760.390.680.305.161.120.680.630.300.270.450.280.400.230.650.673.863.400.470.670.680.560.660.540.600.550.740.590.660.640.451.000.38
Leptazoline BME8958100.510.611.462.954.344.010.520.590.520.641.523.432.590.480.590.440.470.550.362.482.370.540.470.390.650.460.620.370.960.270.340.560.511.651.964.780.580.200.580.320.260.180.280.280.411.602.910.481.160.860.480.460.330.600.812.460.360.293.530.320.240.450.170.370.150.590.530.271.402.953.403.220.520.140.340.690.330.331.192.100.590.700.720.640.660.490.724.254.522.310.500.290.590.730.700.653.845.631.680.650.590.650.500.600.311.072.850.710.440.430.630.311.360.420.280.750.400.710.285.241.120.710.630.280.280.440.280.390.240.680.653.873.460.470.680.680.560.670.510.610.540.720.580.640.650.440.990.38
AbietinolME8957410.490.270.260.330.620.340.290.290.300.270.990.281.390.280.322.980.250.370.310.350.470.290.241.270.420.240.730.260.292.730.300.310.600.640.450.970.770.341.882.586.811.180.300.620.260.163.196.710.380.291.160.270.280.262.331.450.300.300.320.301.942.320.330.281.080.331.490.921.060.520.300.680.840.390.410.550.310.320.120.320.420.470.348.540.190.305.601.013.860.341.350.780.360.510.700.801.080.381.070.650.720.320.240.300.782.210.850.650.312.300.350.930.320.360.342.420.302.400.930.300.290.494.203.862.370.270.280.290.310.431.500.300.300.302.102.520.824.290.471.080.270.302.411.000.460.671.281.11
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-olME8957180.770.460.080.150.430.510.270.860.210.110.320.270.700.402.350.500.851.470.111.400.440.592.180.520.490.410.870.730.360.480.800.940.382.800.380.320.130.141.770.500.592.440.980.331.362.351.204.840.651.091.611.700.530.220.490.550.060.460.837.020.471.930.160.320.238.533.202.530.550.290.480.840.550.190.201.720.230.401.080.960.290.200.171.690.671.604.291.380.350.170.381.020.050.220.890.180.773.210.170.250.680.520.060.300.080.701.431.334.920.102.432.610.730.570.150.860.490.540.420.051.511.620.150.080.570.090.110.180.170.221.240.050.480.370.490.250.100.150.471.300.231.190.521.390.120.202.081.20
Asperophiobolin DME8957450.840.310.120.190.480.520.290.860.240.140.320.300.720.422.390.540.881.440.131.170.420.642.250.530.310.380.870.780.320.480.850.860.332.780.290.290.130.291.750.590.431.981.060.371.382.231.164.830.731.151.651.690.530.200.510.580.080.520.896.720.481.950.200.340.298.273.282.500.560.330.510.840.600.220.191.740.270.401.160.950.330.240.201.610.671.654.221.110.380.200.350.910.020.130.820.160.823.140.120.250.680.530.080.210.070.701.481.444.680.122.572.630.710.570.170.910.450.570.290.031.531.560.160.110.570.060.130.200.120.211.210.100.480.370.540.240.190.160.441.220.221.190.531.430.110.252.141.26
Glycochenodeoxycholic acid1ME8957900.860.280.120.160.480.500.290.850.240.140.310.290.700.402.430.540.871.450.121.160.400.642.290.510.260.380.850.750.290.480.840.860.322.800.290.250.120.281.780.560.401.951.030.361.342.231.134.940.751.131.671.650.510.190.490.550.090.500.876.840.471.970.190.300.278.443.322.500.550.330.510.850.580.220.191.760.260.401.140.950.320.230.211.610.641.694.251.120.390.190.340.900.030.020.790.140.853.230.120.250.670.520.080.210.070.681.501.444.770.132.592.660.710.560.160.900.450.570.270.041.561.610.160.110.560.060.130.190.120.191.230.110.470.380.540.240.190.160.441.240.211.180.551.430.120.252.141.27
Glycocholic AcidME8957920.650.180.140.090.560.540.110.360.120.150.090.670.290.471.340.720.761.700.092.110.200.391.360.930.220.411.730.600.380.670.820.330.431.840.160.300.140.081.460.621.324.861.140.180.802.871.317.330.791.030.690.930.680.510.640.710.090.601.1012.710.252.510.520.390.449.452.752.100.650.680.150.531.080.160.472.290.340.330.940.470.290.160.341.751.031.150.850.480.250.160.310.640.030.150.800.140.823.550.140.891.381.290.210.060.040.661.431.632.370.182.102.720.360.490.290.530.240.680.330.081.741.050.220.210.680.050.070.240.120.190.510.050.150.810.650.220.360.250.351.630.094.390.631.730.150.181.780.87
SpylidoneME8958950.650.270.190.170.560.550.190.510.170.220.140.700.380.501.360.790.891.740.132.000.230.531.330.930.310.431.670.620.430.690.840.510.651.880.230.410.190.171.350.641.384.701.120.281.012.921.216.730.561.030.770.970.720.560.650.740.250.651.0211.250.342.410.540.410.499.052.711.990.650.670.230.621.070.210.552.350.420.430.990.530.340.220.391.791.011.100.930.530.330.210.400.710.090.270.800.270.863.410.170.871.411.160.250.180.120.661.401.502.290.231.992.620.390.580.370.580.300.700.360.111.611.050.260.230.700.090.110.250.160.220.630.070.200.760.670.240.400.300.461.570.153.990.591.650.210.251.700.90
N-[(1R)-2-hydroxy-1-methoxy-methyl ethyl]-(4E,7S)-7-methoxy-4-eicosenamideME8958300.133.410.390.880.120.260.110.640.331.010.700.351.410.181.370.491.221.190.420.840.651.081.981.143.370.240.210.280.370.681.421.490.194.911.270.750.370.730.350.702.856.430.860.531.615.740.391.750.961.171.001.330.371.070.520.841.280.950.221.160.903.850.170.310.432.834.863.980.650.540.340.900.840.791.903.870.711.070.712.470.760.160.111.270.521.910.320.131.580.170.722.340.210.761.442.600.783.200.090.671.150.120.270.240.561.131.222.086.580.481.231.070.631.650.541.460.570.660.280.140.360.720.590.291.680.190.250.110.220.410.950.250.170.820.790.131.050.711.280.250.970.410.421.100.880.630.780.73
1-palmitoylglycerol;MAG(16:0)ME8957021.260.460.080.230.250.680.210.610.090.140.490.310.490.501.390.620.702.120.140.730.431.631.830.290.210.630.290.660.410.590.822.850.101.660.570.090.080.120.130.772.156.501.820.752.932.810.513.760.720.690.940.350.100.100.721.270.160.570.532.880.671.760.080.190.164.173.022.800.660.850.230.520.880.090.613.770.530.351.311.040.480.180.081.461.341.170.160.090.280.240.831.600.090.250.760.110.903.450.371.010.620.100.100.130.171.732.302.386.750.252.471.570.280.540.521.230.580.720.430.120.510.620.310.230.990.070.230.090.090.870.550.120.580.630.100.200.100.150.840.110.211.790.643.480.100.182.091.17
Glycochenodeoxycholic acid2ME8957911.510.230.170.130.370.570.320.480.210.180.550.420.490.280.990.410.662.400.240.030.331.011.860.300.080.660.290.900.310.620.820.780.020.690.500.130.140.210.080.931.116.512.240.863.552.820.463.630.580.520.861.200.100.160.660.730.220.280.483.100.841.410.140.120.224.333.063.170.811.030.290.220.690.110.684.250.500.501.390.640.490.100.180.871.010.830.020.010.210.270.851.670.050.300.600.100.953.590.030.790.790.060.080.220.061.982.362.526.790.342.621.340.590.540.730.700.810.710.530.050.440.600.330.321.080.150.140.140.090.530.650.190.640.740.120.280.180.150.940.210.331.810.762.610.170.272.361.22
N-docosahexaenoyl GABAME8958341.290.400.160.130.300.670.320.680.240.290.570.340.520.451.470.690.842.240.280.770.380.911.750.470.460.730.470.820.600.650.811.280.082.050.740.150.180.170.430.730.955.271.990.762.912.640.533.800.780.800.981.420.180.431.011.540.290.230.643.370.771.930.110.110.184.102.793.030.810.930.350.650.940.090.603.590.600.431.250.710.510.210.221.471.261.380.270.270.250.260.781.570.070.230.710.270.973.190.180.740.730.280.210.220.191.631.962.325.630.312.311.610.520.610.561.510.710.720.460.060.730.660.300.300.920.150.130.200.130.480.670.170.570.680.310.320.260.230.930.390.301.670.662.440.220.262.071.11
Dodecenoylcarnitine2ME8957840.860.721.040.890.911.150.750.981.490.660.861.061.150.780.660.920.821.490.850.780.950.690.840.790.730.790.690.750.910.791.960.840.860.881.070.861.680.810.870.880.990.920.821.041.010.980.800.770.730.840.770.820.850.860.770.900.810.812.240.930.780.820.890.830.740.820.890.820.971.001.791.221.610.750.830.750.770.820.890.770.760.900.610.7414.840.920.862.251.561.000.730.750.720.920.620.740.921.070.880.620.700.670.960.760.650.920.880.710.780.800.900.850.910.890.700.680.830.710.760.970.770.680.920.710.850.700.760.880.780.660.730.931.980.720.750.620.731.010.730.651.161.100.791.120.640.671.050.75
Hippuric acidME8957950.461.190.390.130.500.510.270.550.160.141.480.511.690.130.500.210.610.980.290.230.450.481.360.470.530.100.160.702.840.631.120.480.291.490.390.540.640.733.361.991.341.321.271.940.440.510.610.600.250.211.082.160.120.210.890.450.330.542.320.550.611.260.530.111.290.191.830.771.890.681.880.735.400.660.190.321.160.730.210.602.332.250.601.931.720.430.451.010.910.890.200.550.360.680.441.280.670.330.211.100.600.190.441.401.150.689.530.320.823.190.540.241.110.180.735.213.601.310.411.031.163.342.760.730.123.410.100.270.040.300.671.060.393.760.591.230.983.120.730.580.390.500.343.600.161.211.200.71
AcetylcadaverineME8957440.150.410.440.690.671.690.041.350.100.080.130.151.160.350.810.761.370.060.062.781.370.440.620.191.220.271.310.030.530.020.110.362.411.370.350.201.920.352.241.521.702.330.080.350.090.290.320.400.405.010.100.521.153.550.200.470.130.951.982.421.214.173.201.750.321.910.260.295.941.041.701.011.762.540.270.310.620.200.832.040.100.541.325.331.301.223.801.420.781.310.031.510.030.040.100.190.090.162.450.940.160.580.390.380.380.350.453.030.310.111.802.680.850.630.101.020.125.953.740.110.200.060.290.043.150.040.290.202.260.152.440.141.162.362.020.771.081.040.260.370.140.300.120.261.730.091.101.59
Bilirubin2ME8957501.262.080.981.151.572.801.902.562.361.612.701.712.613.614.400.702.040.931.151.593.161.682.221.912.102.461.311.821.440.891.242.061.191.230.890.921.422.070.800.640.841.541.061.601.712.480.640.532.071.831.602.042.457.011.502.224.613.862.021.391.321.790.490.852.812.830.611.400.631.500.410.540.801.080.620.810.770.980.661.300.460.870.480.250.530.600.550.730.960.590.360.340.430.720.230.440.510.710.870.210.460.270.280.820.490.230.380.340.750.420.791.271.931.410.260.380.360.430.250.360.050.440.430.180.960.230.630.410.300.210.290.300.350.210.450.180.200.150.290.180.210.170.220.110.200.390.351.03
Bilirubin3ME8957511.242.080.981.361.782.691.892.672.551.463.011.972.523.544.840.661.990.991.381.763.291.562.252.002.042.511.201.971.560.921.351.891.141.260.891.111.502.120.950.690.881.601.071.651.812.620.630.421.871.761.702.112.718.501.402.304.683.961.951.451.361.690.520.882.812.550.611.470.671.570.420.580.791.170.610.770.751.030.591.220.450.770.410.280.500.650.510.720.940.620.340.360.420.660.220.370.520.690.750.190.460.250.250.760.540.220.350.320.760.430.791.392.201.460.260.340.340.410.230.350.050.450.430.180.940.240.600.410.350.210.280.300.330.210.430.170.180.140.210.190.200.150.210.110.220.390.151.10
[Similar to: Taurochenodeoxycholic acid; ΔMass: -52.9942 Da]ME8956920.530.190.970.251.160.810.340.100.540.310.561.600.081.200.384.750.272.842.222.420.841.570.621.100.182.454.913.840.741.370.410.454.520.720.080.331.610.073.591.052.521.890.340.360.490.221.471.181.332.280.200.964.340.822.041.570.520.071.471.900.240.473.580.461.081.491.210.331.311.030.090.131.260.150.521.390.570.190.380.180.420.315.166.211.110.282.541.950.331.111.011.040.530.391.260.491.730.700.310.090.380.740.500.690.320.140.921.370.170.551.340.310.091.000.541.700.181.164.500.471.630.720.400.491.490.260.830.341.410.340.140.300.760.940.141.340.630.821.320.701.052.020.451.040.620.960.720.95
(25S)-5beta-Spirostan-3beta-olME8956820.370.430.350.401.110.960.460.520.620.640.520.610.841.124.034.510.900.940.941.331.041.370.520.981.142.452.081.030.921.451.221.000.840.262.291.150.540.350.420.694.005.460.200.170.580.780.850.530.731.311.900.141.030.502.041.421.290.771.921.280.635.690.810.312.732.110.981.000.790.780.380.301.230.610.492.951.511.110.490.311.311.921.379.310.410.780.500.840.620.680.770.541.251.350.340.642.751.120.651.110.711.190.780.950.530.520.800.670.570.830.851.271.071.071.030.410.626.550.830.231.300.100.220.620.600.250.820.350.461.090.430.820.620.960.170.900.560.210.080.160.540.550.430.470.710.340.711.02
PE(18:3(6Z,9Z,12Z)/0:0)ME8958690.690.401.160.871.050.040.801.070.720.320.700.940.660.770.314.010.432.330.811.981.431.020.730.670.350.951.590.750.252.051.000.371.160.901.370.842.250.440.831.560.581.550.480.650.630.961.411.050.430.990.980.851.800.550.180.900.620.651.840.681.041.611.020.550.031.320.531.020.880.470.690.461.290.750.601.320.570.601.211.210.891.273.489.020.910.130.641.080.871.150.410.680.490.271.430.392.310.580.751.051.020.090.550.971.111.040.601.040.381.301.270.700.270.722.041.210.834.731.980.290.740.910.300.700.600.641.190.642.121.830.381.710.680.960.412.760.500.680.393.062.192.431.224.140.921.180.711.48
Tris(2-butoxyethyl) phosphateME8959100.790.771.147.391.041.160.690.810.800.790.850.920.810.820.800.800.770.770.880.920.821.730.810.840.780.800.780.940.840.821.030.740.810.810.830.920.830.900.800.910.890.890.920.860.860.870.990.780.760.830.800.810.870.830.770.700.820.860.770.810.890.830.940.840.900.770.790.880.940.850.880.850.930.890.820.850.810.870.940.771.050.971.001.030.880.971.030.921.131.040.901.071.051.030.981.040.961.001.081.091.071.070.991.051.021.101.091.090.970.9612.040.890.900.850.881.040.911.050.951.040.940.990.950.870.941.020.920.970.941.141.091.071.240.991.111.081.071.150.991.070.931.090.951.051.040.960.990.99
α-PyrrolidinopropiophenoneME8959162.370.440.570.560.720.930.680.420.570.520.600.770.750.610.750.690.650.760.450.530.560.740.610.930.550.660.530.710.851.110.660.580.720.670.700.800.691.260.790.660.460.971.740.540.700.690.730.541.240.940.860.680.660.770.500.680.520.750.530.580.970.420.770.960.601.740.840.830.600.980.680.640.670.680.610.801.231.160.660.550.810.360.672.940.690.650.640.970.660.552.260.490.610.690.601.370.740.910.880.800.550.680.500.640.631.100.800.760.670.790.540.640.680.560.380.480.790.700.680.641.030.520.740.440.730.464.242.900.423.821.054.612.574.414.254.783.901.840.492.536.172.652.784.195.042.980.660.33
9-Decenoylcarnitine1ME8957381.321.000.870.820.561.110.780.930.730.332.411.111.580.670.211.140.911.611.090.380.331.090.830.810.720.230.951.120.881.000.941.480.541.001.110.981.451.430.931.0211.563.961.591.081.170.720.620.640.970.642.012.200.290.831.751.530.520.530.881.100.280.681.451.011.242.470.540.690.420.650.600.791.400.441.431.480.790.960.570.531.054.200.773.460.870.441.001.881.410.580.551.171.151.460.610.670.570.860.630.610.740.610.471.021.150.481.090.930.881.000.740.681.531.110.631.330.612.251.610.710.780.890.790.591.660.590.900.320.471.561.211.130.760.681.101.000.830.930.510.391.440.460.451.230.410.920.860.77
LMST04010233_2ME8958182.200.690.780.380.661.100.210.200.720.730.851.220.901.590.930.180.663.751.340.942.341.562.800.140.492.080.720.360.241.082.190.770.721.040.490.220.500.350.880.312.006.800.481.831.061.060.800.190.290.120.860.830.351.441.932.700.732.650.160.161.721.100.700.180.170.152.170.691.031.360.340.180.670.200.820.940.930.760.921.871.231.450.162.141.030.210.153.580.631.171.741.590.160.911.170.200.461.480.181.050.650.170.460.870.161.590.370.821.490.790.620.750.372.212.760.512.051.317.260.170.171.481.551.900.420.500.150.320.241.330.470.240.982.250.181.210.990.540.960.212.572.610.651.660.721.200.921.01
IsoquinolineME8958010.360.410.440.780.720.310.350.550.250.351.090.220.610.400.480.500.710.730.571.070.570.791.140.440.430.341.180.500.230.270.300.940.251.520.921.391.060.630.700.660.380.700.841.210.570.240.410.230.660.310.601.162.770.580.320.421.961.220.210.221.000.681.600.160.580.164.680.861.161.171.990.820.670.990.621.180.851.031.620.682.131.150.651.990.630.680.621.111.140.790.670.571.200.960.530.940.540.630.782.372.780.240.481.303.750.760.971.120.470.781.260.881.040.370.853.120.571.630.612.150.201.781.633.800.360.660.820.980.741.421.023.070.831.622.421.401.515.501.534.930.951.860.665.281.301.850.910.85
Methyl indole-3-acetateME8958260.370.360.370.760.710.250.270.600.190.250.930.210.560.400.510.520.650.670.490.970.570.611.070.470.380.351.240.370.150.220.180.900.241.650.931.381.100.600.770.600.330.640.821.200.530.070.430.180.680.250.541.082.900.520.240.312.041.050.260.170.940.661.570.130.500.174.990.851.241.211.980.820.620.880.541.180.870.931.660.722.151.230.692.110.520.600.731.141.150.820.640.621.190.930.540.930.570.600.772.472.810.170.511.363.910.710.901.150.340.731.300.890.930.380.813.310.551.580.672.260.191.861.663.940.170.620.821.050.801.380.993.140.791.752.421.461.595.791.595.271.001.900.635.471.321.960.930.84
TheobromineME8959030.890.453.670.241.181.340.780.190.540.020.320.770.540.171.590.360.191.400.521.361.990.491.050.031.360.290.400.241.710.231.301.740.071.891.691.031.521.150.800.582.282.631.131.210.350.990.680.680.312.031.781.602.361.800.080.654.480.371.571.361.350.412.350.060.331.970.921.700.040.051.250.680.010.590.194.080.831.830.884.361.752.723.230.010.320.160.010.320.282.412.231.530.960.810.891.170.350.430.750.992.503.680.940.943.540.123.422.240.181.470.480.080.720.871.041.742.500.000.900.240.950.251.090.320.030.860.010.110.020.740.610.680.231.100.410.780.630.233.370.650.831.541.142.060.520.550.860.78
Dioctyl phthalateME8957760.010.010.000.010.020.160.000.000.000.000.000.020.180.000.000.000.000.000.000.110.190.030.000.000.000.020.000.000.220.000.000.000.000.001.850.180.000.000.000.000.000.010.000.000.000.000.660.010.000.000.000.000.000.000.000.000.000.010.200.000.000.010.000.030.030.000.000.000.000.000.490.210.000.000.000.000.000.000.040.000.000.000.010.030.000.000.000.000.000.010.010.010.000.000.000.010.000.010.000.000.010.000.010.010.000.000.000.000.000.000.000.000.000.000.040.000.000.000.010.000.030.040.010.010.000.010.010.010.020.010.010.010.010.010.010.010.020.010.010.010.010.010.010.010.050.028.500.21
2-Aminooctadec-4-yne-1,3-diolME8957080.290.310.420.360.520.280.320.270.350.220.340.340.480.560.380.530.180.310.270.370.300.340.230.380.220.160.250.330.350.350.390.440.250.180.320.170.470.350.360.190.470.340.290.200.420.310.280.210.542.280.540.210.320.220.380.320.260.261.250.470.330.230.260.330.520.590.370.210.120.200.250.250.380.310.210.120.500.260.290.260.263.370.320.400.370.410.150.320.150.230.470.150.350.510.380.350.340.330.260.390.260.930.530.350.220.310.310.350.290.300.230.830.500.080.300.280.240.210.140.190.420.240.280.170.250.270.320.110.360.200.190.160.270.250.290.280.300.260.280.330.340.340.230.300.250.236.160.17
PE(O-18:1(9Z)/0:0)ME8958830.310.190.500.580.460.290.490.420.270.120.290.310.570.320.320.870.360.380.510.400.460.580.680.340.290.320.170.270.190.400.380.280.350.450.620.640.730.530.360.540.440.360.460.540.270.290.520.370.220.490.400.660.400.350.300.550.310.420.920.550.450.440.420.440.620.660.470.590.570.570.410.570.570.390.591.060.360.270.420.440.484.190.650.770.510.470.450.450.740.440.410.600.370.440.280.440.380.540.490.370.440.290.270.460.610.340.380.610.490.360.490.680.170.370.420.660.210.460.910.090.330.690.660.110.660.530.310.180.810.540.430.530.570.320.470.540.640.530.350.350.420.290.220.470.690.505.220.80
(1S,2R,8aS)-1,2-DihydroxyindolizidineME8956810.670.320.510.811.051.450.750.840.710.450.880.470.520.630.891.110.450.820.590.890.728.942.570.950.660.640.422.040.561.401.302.750.290.580.631.120.780.631.731.131.590.840.911.380.360.590.350.230.330.981.622.080.891.221.371.051.180.560.250.540.790.520.640.420.641.200.911.360.250.283.430.650.561.030.571.060.581.130.771.691.051.951.190.780.490.710.420.280.440.751.040.650.810.610.800.550.240.240.473.204.850.500.700.910.940.690.960.590.640.550.720.540.610.540.951.153.430.631.410.550.630.741.430.590.430.621.810.690.710.801.232.600.661.021.621.581.862.521.181.871.151.030.741.221.211.261.111.22
Serratamic acidME8958920.962.420.471.460.621.070.761.820.830.853.410.960.871.651.810.341.681.491.430.320.420.680.571.712.461.860.641.291.710.731.234.192.020.554.731.440.020.712.660.501.300.851.151.071.362.420.400.250.620.452.130.700.211.241.560.476.682.050.671.030.661.260.581.490.941.140.590.430.450.460.841.040.931.191.870.470.281.930.701.220.390.821.600.320.762.021.400.790.690.531.410.164.152.290.431.580.730.770.250.320.990.701.401.781.000.430.990.390.710.271.060.961.730.580.621.501.210.450.641.220.900.811.250.490.890.343.731.250.651.790.631.630.481.070.261.070.540.970.810.822.010.220.180.110.611.610.460.56
HypoxanthineME8957960.341.010.220.831.082.080.900.210.780.720.261.012.100.673.230.860.222.181.920.710.570.730.441.230.970.220.260.180.790.561.641.370.241.130.761.590.491.610.381.340.260.591.940.811.130.430.720.681.560.581.510.412.412.692.142.940.561.202.110.620.884.290.812.362.362.131.150.360.820.931.021.640.391.460.201.532.721.660.741.070.323.520.594.001.871.310.432.181.360.631.490.450.971.361.874.371.442.840.191.431.901.662.420.631.161.091.380.630.982.640.212.890.700.241.980.890.940.640.250.261.551.061.570.952.143.060.930.241.610.490.280.400.240.621.151.250.221.580.700.390.230.610.381.530.580.210.200.06
Pantothenicacid (VitaminB5)ME8958571.202.540.730.310.171.311.161.680.601.761.880.520.210.870.690.554.482.553.560.801.560.941.773.082.091.070.490.420.961.085.260.480.380.423.371.020.711.301.004.891.140.650.671.731.010.960.410.420.611.260.831.910.670.991.702.560.540.160.840.460.710.510.530.330.931.760.660.831.041.220.310.210.661.930.660.620.610.350.480.320.590.831.390.341.201.280.420.501.840.570.480.791.692.391.030.400.321.510.741.090.355.100.650.370.771.092.320.470.472.521.700.220.810.550.850.600.460.670.700.460.650.790.660.550.530.980.680.810.381.870.361.210.460.670.311.010.521.720.660.600.820.380.961.130.905.510.740.73
4-Amino-3-hydroxybenzoic acidME8957301.201.261.160.570.881.561.530.330.820.361.830.840.081.170.230.953.261.202.890.720.252.270.671.851.550.581.401.841.341.382.310.760.530.460.770.641.580.332.863.131.300.321.132.241.831.200.690.510.701.271.702.130.610.582.552.660.820.300.220.711.440.221.530.370.702.021.220.561.460.410.970.312.581.130.910.302.370.700.860.220.960.610.820.160.650.940.430.480.651.170.790.961.601.821.000.550.440.700.992.780.605.130.310.570.321.121.561.390.251.281.750.160.370.940.570.600.480.610.830.260.210.930.870.651.111.290.591.070.400.780.760.770.421.480.691.380.531.910.590.310.690.890.821.100.701.290.910.91
5-Nitro-o-toluidineME8957361.261.291.240.600.961.691.610.340.950.381.890.970.141.080.281.083.501.322.900.700.272.200.701.861.410.731.500.171.301.612.590.750.590.540.870.621.610.342.903.281.450.351.192.251.991.370.650.620.801.301.711.850.670.582.883.060.950.310.250.851.670.211.470.320.661.921.160.571.460.451.040.282.360.990.940.372.390.740.940.231.030.530.830.340.590.930.480.670.681.180.851.071.491.671.000.540.470.630.972.430.635.660.280.650.521.141.471.450.311.161.800.150.480.920.640.650.530.700.970.290.410.990.980.631.221.380.701.250.470.830.800.800.531.410.751.480.591.850.630.300.850.760.841.180.761.280.820.93
2-(1H-indol-3-yl)acetic acidME8957060.690.960.640.730.981.091.010.830.490.511.330.381.820.600.650.950.731.130.915.691.171.431.160.261.060.670.790.460.730.870.561.270.270.350.890.990.540.671.090.820.831.310.481.091.012.650.370.120.681.021.451.821.032.840.970.711.444.730.250.301.121.080.460.440.460.680.690.680.680.360.720.830.582.150.900.780.781.690.440.681.241.460.671.073.321.200.770.850.970.620.580.770.880.960.670.740.280.970.840.830.772.640.571.231.880.940.980.660.921.080.901.670.810.970.950.480.482.681.120.520.500.861.131.171.040.620.550.390.291.241.491.780.430.861.611.581.020.745.371.031.110.500.761.251.250.541.171.02
DL-α-Aminocaprylic acidME8957810.440.270.630.131.521.421.362.611.170.681.020.630.880.540.680.270.971.130.521.400.570.922.121.350.951.350.400.340.462.262.150.390.130.240.361.230.531.412.091.580.591.280.561.290.430.840.050.220.290.590.620.540.931.371.261.600.540.740.070.480.690.560.300.280.581.670.760.760.110.150.850.640.382.700.770.510.690.901.966.171.121.390.922.790.832.620.250.491.320.580.370.500.831.440.900.310.170.360.861.560.970.550.690.830.941.411.760.400.761.131.320.771.361.011.772.710.520.823.910.610.561.782.000.490.581.012.080.881.403.220.211.630.851.471.211.761.411.140.891.011.351.491.351.822.750.801.001.04
2-(5-((3Z,13Z)-eicosa-3,13-dien-1-yl)furan-2-yl)-ethanoic acidME8957070.530.660.520.531.000.560.640.911.011.321.051.362.601.513.820.891.351.140.891.280.791.500.881.131.391.231.101.261.541.691.681.560.770.671.761.240.700.750.950.883.534.160.410.371.502.130.970.671.251.324.261.350.730.701.801.501.811.600.580.760.812.060.700.832.262.050.700.670.730.850.710.911.971.190.821.412.522.371.180.541.212.320.981.670.811.460.941.240.830.770.910.430.720.840.751.011.021.040.790.830.601.100.551.251.111.041.141.232.120.431.071.842.061.570.710.480.691.630.470.380.620.330.470.511.180.300.610.560.280.400.590.350.690.750.340.420.600.301.880.201.000.830.650.430.540.380.650.79
LysoPC(P-18:0)ME8958230.180.721.820.540.230.630.761.132.101.291.131.071.530.331.880.181.581.760.871.641.742.542.570.181.212.280.891.020.861.200.222.882.591.455.512.160.941.290.690.183.083.210.580.882.202.100.670.761.301.911.580.921.420.961.621.762.931.630.200.751.401.050.770.620.191.831.130.580.811.170.530.441.790.200.160.173.312.911.601.723.302.171.554.321.351.592.052.311.451.331.010.881.251.270.350.240.441.320.320.920.320.950.761.520.160.810.881.571.681.250.881.340.801.421.160.870.641.640.570.190.170.190.190.171.610.171.010.270.200.171.000.190.171.190.200.170.170.600.170.160.200.150.170.171.430.150.410.20
dacisteineME8957710.791.140.682.421.060.590.770.920.100.211.780.080.400.330.740.090.612.161.750.111.032.351.430.030.490.960.110.670.511.001.823.370.131.231.430.980.360.910.191.363.674.921.271.971.581.890.290.760.040.161.082.550.100.670.340.850.593.670.160.022.321.120.490.080.490.030.261.120.450.771.151.540.691.032.082.831.721.880.660.491.291.720.300.191.672.360.050.831.591.080.231.451.081.080.561.100.501.290.820.531.330.100.781.020.720.991.951.951.462.121.421.671.071.552.480.731.321.011.220.330.430.341.421.562.661.780.020.230.032.570.961.071.030.410.741.191.810.961.301.342.180.970.800.550.202.280.770.91
2-OxindoleME8957120.600.710.670.700.941.121.220.990.410.550.831.001.060.601.100.411.241.490.950.581.801.802.310.020.290.580.630.451.320.670.701.440.691.451.770.761.670.850.861.162.984.110.771.251.431.441.120.950.571.800.390.960.531.972.303.680.371.730.431.181.791.580.740.430.350.370.360.481.030.760.700.891.150.811.092.321.431.140.941.361.411.220.620.621.021.820.341.211.571.300.541.300.780.950.671.650.300.920.630.861.510.331.591.170.430.831.410.900.910.841.322.391.891.591.300.990.643.131.850.921.670.621.171.030.961.060.220.210.141.400.480.300.861.220.732.321.510.601.030.521.031.560.640.900.590.670.860.78
4-Acetoxy-2-azetidinoneME8957290.561.330.590.871.151.160.671.080.370.441.080.570.910.361.190.431.252.531.091.510.841.572.110.260.620.930.590.681.850.741.162.511.111.291.461.101.120.900.850.972.543.951.011.661.111.730.890.770.470.540.942.440.311.092.255.611.163.000.510.661.061.250.480.520.610.630.450.840.660.780.651.060.591.230.861.391.421.060.761.050.731.360.820.382.012.520.770.681.640.700.492.070.930.900.501.230.471.450.420.450.880.511.211.531.330.872.661.001.603.101.611.071.871.251.620.801.182.361.780.601.280.340.810.831.000.850.420.340.111.320.690.590.680.350.620.790.670.880.890.681.570.650.460.480.161.520.660.78
N-PhenylacetylglutamineME8958410.370.930.441.371.041.240.601.150.240.240.880.400.870.310.650.191.112.851.071.210.881.882.510.080.490.780.530.501.730.651.192.760.511.391.340.711.240.900.840.992.944.721.031.841.191.810.970.880.270.450.972.880.081.162.536.580.523.390.410.561.151.060.410.200.470.500.270.830.580.820.570.970.521.390.841.581.571.420.540.970.761.500.430.282.322.700.720.691.910.900.362.450.710.900.320.930.401.680.460.501.020.381.311.591.500.833.041.141.823.541.871.241.861.361.850.601.332.681.820.441.410.140.940.861.060.920.050.170.041.360.620.460.550.500.590.770.620.861.210.711.680.720.430.340.091.620.630.78
IpronidazoleME8958000.201.190.790.630.773.070.820.810.600.324.481.401.822.940.771.240.972.351.221.321.032.010.710.320.700.820.591.950.700.411.020.540.530.260.440.550.900.711.561.561.011.662.621.403.720.600.790.661.060.990.630.930.560.994.433.320.290.840.221.583.011.050.190.420.660.891.040.400.370.302.101.302.720.381.300.662.010.290.660.670.460.800.940.900.711.210.711.160.201.360.321.752.110.620.350.410.700.670.931.090.631.360.970.961.420.771.321.221.100.260.310.711.180.910.140.550.911.761.930.220.291.090.511.292.032.500.480.720.472.460.530.800.500.331.284.750.831.910.800.221.831.160.960.820.640.160.770.58
TiglylcarnitineME8959040.871.090.910.470.371.241.440.390.760.271.930.880.521.160.311.240.581.231.562.070.591.910.880.751.100.751.041.061.382.591.140.850.490.433.110.731.830.561.211.052.882.412.131.592.990.380.520.281.060.301.031.030.430.384.092.061.080.610.320.711.141.011.090.391.630.421.121.191.230.511.050.252.820.511.310.641.410.420.680.480.850.501.371.560.620.540.822.430.620.280.820.911.940.870.340.250.830.520.731.290.592.870.330.700.441.431.210.530.300.790.630.650.710.760.721.681.054.001.030.681.191.030.960.471.101.091.190.650.591.900.651.830.891.121.274.780.441.040.900.781.730.630.531.751.110.840.810.85
LMFA08020332_2ME8958141.620.210.370.302.841.600.770.830.130.340.660.690.870.880.741.870.121.142.461.260.241.170.881.150.350.420.850.490.972.111.560.670.650.580.680.210.940.860.450.762.953.212.632.690.870.890.540.671.150.171.710.810.490.370.713.120.700.250.140.580.360.791.470.401.711.220.650.441.070.320.740.500.380.431.720.520.380.741.150.961.820.520.472.010.760.670.920.700.661.501.240.220.470.591.090.700.960.640.603.012.490.610.931.260.840.520.820.620.920.940.801.050.670.592.052.131.290.431.630.321.810.713.162.011.220.400.671.011.200.500.641.032.452.011.844.831.561.340.701.373.222.420.832.671.061.540.741.00
N-(3-hydroxy-dodecanoyl)-homoserine lactone2ME8958290.780.351.180.304.793.220.630.410.530.331.780.640.800.670.411.360.374.473.020.600.380.730.481.090.460.180.831.500.621.691.000.750.400.520.420.341.740.841.832.164.612.730.910.710.630.650.660.620.600.491.330.912.390.861.893.550.560.840.520.961.660.601.090.910.720.801.050.981.420.751.331.221.080.471.461.400.730.720.940.612.862.470.541.000.520.360.690.860.581.001.410.900.400.560.960.360.680.620.761.491.130.320.460.810.581.230.601.991.330.650.610.550.470.571.280.780.600.282.790.551.181.511.360.171.140.471.020.411.850.341.490.370.791.110.812.210.951.661.150.671.481.790.602.450.950.500.881.06
Triethylene glycolME8959080.290.041.502.001.201.450.801.051.180.821.051.421.070.892.241.051.711.452.721.151.331.411.061.420.971.130.951.321.540.951.710.871.571.271.161.551.441.850.891.100.091.572.521.631.791.641.430.901.280.891.100.381.211.261.601.832.331.080.791.411.790.841.681.271.401.310.950.551.471.052.171.511.111.041.731.331.031.861.831.011.211.100.780.870.710.191.971.181.290.911.851.033.271.531.162.032.011.091.441.122.031.161.611.111.371.221.010.671.891.061.121.131.211.201.251.731.390.841.291.161.271.961.891.122.040.310.120.190.380.130.140.110.220.290.690.110.130.070.150.140.080.140.270.170.310.060.210.13
CaryophylloseME8957550.120.084.044.481.100.931.131.040.880.690.910.431.240.852.911.661.061.891.441.030.781.100.991.111.311.150.842.081.161.681.660.861.571.663.810.970.971.231.511.160.101.342.561.751.031.231.540.860.991.071.170.091.641.021.682.221.671.570.691.381.551.451.471.081.431.710.920.081.070.892.111.470.911.231.231.171.121.581.910.881.090.930.950.120.990.051.551.221.041.181.540.762.601.621.442.712.180.901.261.531.811.891.920.971.191.091.240.481.821.181.061.370.820.861.482.772.370.981.141.251.632.342.091.181.830.100.090.070.090.100.080.090.090.092.640.120.100.100.100.110.090.120.150.130.100.100.110.08
DambonitolME8957720.090.042.790.941.050.940.901.120.920.740.510.481.550.882.471.831.041.851.801.220.780.981.021.111.340.990.910.821.151.551.600.891.592.202.730.191.031.481.501.350.061.582.571.941.081.451.610.950.911.101.030.041.691.131.592.121.941.680.641.671.741.511.661.051.471.960.980.091.251.012.240.840.871.381.261.461.251.822.891.061.191.171.020.070.980.051.681.211.131.221.940.862.621.851.512.672.521.201.661.602.402.052.061.041.411.281.480.192.141.561.321.510.330.981.812.801.930.921.271.301.452.562.161.091.940.040.010.040.110.080.030.040.040.041.720.720.050.030.310.050.060.040.160.190.050.040.090.05
N,N-Bis(2-hydroxyethyl)dodecanamideME8958430.980.920.831.000.900.950.800.820.950.910.961.020.840.770.880.870.800.960.970.791.000.870.890.840.920.970.830.941.010.930.900.880.920.881.021.050.800.890.971.080.910.881.000.980.860.891.020.860.840.870.840.930.850.950.910.920.940.901.160.890.911.031.000.910.920.810.910.811.020.681.031.261.080.900.960.820.810.940.880.851.030.940.850.960.850.860.900.920.970.981.140.850.890.920.951.091.021.070.860.810.991.370.820.970.930.820.890.820.810.760.810.820.961.070.950.880.930.950.811.000.910.790.950.221.181.041.470.960.924.631.248.020.940.960.950.860.961.030.991.161.041.261.060.990.941.060.961.28
(3Z)-PhytochromobilinME8956840.580.760.600.580.761.531.291.200.791.500.390.471.691.121.960.821.100.320.581.180.881.051.070.500.870.870.540.590.801.080.711.420.570.900.520.420.670.701.360.351.011.430.750.880.841.190.580.691.432.070.641.020.861.201.401.821.661.501.330.640.981.460.290.561.383.240.830.620.551.380.741.260.770.690.741.031.061.080.691.031.701.511.102.071.102.382.061.281.351.111.181.490.922.390.961.491.071.461.531.511.221.411.111.901.571.371.441.281.971.161.723.350.090.631.201.751.071.771.071.150.542.632.590.810.710.972.351.361.081.271.051.561.751.791.761.471.421.131.640.841.940.971.020.882.081.320.060.63
N1-[1-(2-furylcarbonyl)-4-piperidyl]benzamide1ME8958470.690.780.640.670.621.151.141.051.040.980.900.600.991.071.770.521.020.520.901.242.261.041.321.161.340.830.650.600.720.691.060.850.490.610.490.510.801.230.680.630.530.711.001.251.352.290.490.891.111.320.420.871.092.191.021.511.622.010.810.960.891.250.450.832.622.590.741.481.102.010.660.781.181.360.691.301.061.010.951.581.221.520.841.531.211.411.341.531.441.251.121.100.921.030.631.011.081.792.270.731.441.011.072.131.391.081.391.041.601.281.362.820.801.041.491.361.171.571.101.350.261.651.911.101.611.272.581.691.141.211.471.801.321.492.531.291.691.070.950.960.990.970.840.922.072.130.050.75
N1-[1-(2-furylcarbonyl)-4-piperidyl]benzamide2ME8958480.660.890.640.410.261.101.171.081.111.160.820.330.801.202.160.441.070.390.951.352.411.201.241.161.660.930.610.390.590.611.050.830.390.540.350.330.811.420.660.550.480.490.961.341.492.830.370.941.151.330.360.771.073.150.961.722.232.590.751.050.861.060.340.733.524.350.731.440.992.410.500.591.111.420.551.361.030.901.021.801.171.630.671.111.051.371.171.401.371.170.990.870.861.090.520.760.971.833.370.661.450.950.802.531.230.821.230.981.740.981.253.760.630.961.421.310.981.470.651.180.161.562.100.851.931.062.281.650.801.081.341.671.171.452.761.111.570.870.860.730.710.820.680.792.152.250.070.61
Bilirubin1ME8957490.610.800.600.390.281.201.181.181.091.030.670.320.801.071.630.440.960.380.771.362.391.071.241.091.580.730.630.390.530.530.970.820.360.560.370.310.671.150.560.460.470.430.901.191.282.350.380.851.001.150.360.760.982.490.961.491.772.120.820.930.820.840.330.732.803.930.721.260.872.400.470.600.931.240.501.230.970.800.841.781.201.770.741.531.221.471.401.421.471.381.061.001.001.260.660.911.011.913.210.781.611.121.022.671.370.991.411.121.711.171.443.960.520.841.601.601.021.810.861.230.211.772.501.021.481.222.471.740.991.211.601.921.301.612.941.252.011.130.850.920.871.020.720.892.572.780.010.66
N1-[1-(2-furylcarbonyl)-4-piperidyl]benzamide3ME8958490.600.790.580.440.281.181.141.121.111.010.700.390.811.111.760.431.000.360.851.352.461.071.231.131.510.750.630.430.580.561.000.820.360.530.370.320.691.280.560.470.500.480.961.271.332.540.380.831.021.220.340.751.032.680.961.531.872.170.780.970.880.950.350.763.013.650.751.400.932.410.530.640.971.270.511.241.050.860.911.991.201.740.691.381.211.421.381.521.471.341.041.020.931.160.630.900.991.873.180.711.541.020.972.551.320.971.391.021.741.131.343.910.600.901.511.520.991.740.831.200.191.792.381.041.601.222.421.710.981.151.511.841.261.562.851.281.881.080.860.850.850.980.720.842.472.590.020.64
LeucylprolineME8958111.101.090.801.090.780.990.900.980.860.871.251.011.411.051.140.881.191.031.301.031.050.990.720.970.810.520.761.421.471.261.381.520.760.572.920.991.171.091.391.221.260.971.361.091.421.390.800.321.481.191.060.721.171.401.421.291.261.157.931.430.811.011.001.521.081.050.721.090.690.671.070.981.440.860.940.870.911.130.800.730.900.780.661.181.201.500.830.830.810.781.030.720.780.761.261.121.100.980.650.990.881.110.711.040.981.071.040.851.130.990.700.801.160.971.040.921.031.211.651.350.440.890.961.182.211.461.330.830.591.011.081.000.551.141.341.531.120.931.161.111.041.120.780.961.060.760.700.85
L-HistidineME8958031.101.200.880.850.800.831.060.981.060.960.981.050.640.980.880.980.840.980.991.191.020.900.960.951.040.991.110.810.681.200.920.880.690.780.680.760.830.671.051.111.131.151.030.990.860.971.051.020.971.070.930.811.381.481.021.461.350.851.101.071.050.971.261.000.750.860.991.011.221.080.951.240.970.870.811.030.980.921.041.121.060.941.151.281.140.941.140.980.950.950.991.030.901.051.011.001.061.091.320.981.040.650.891.040.861.451.130.960.991.191.201.000.621.021.111.080.960.971.440.840.881.241.101.210.941.021.460.961.051.011.311.028.341.311.311.321.211.081.161.181.271.111.421.371.271.120.800.90
CortisolME8957630.941.660.870.811.011.930.570.810.411.010.591.810.890.600.992.171.920.901.731.790.771.000.900.831.071.920.930.981.681.010.870.960.760.440.090.961.151.101.911.951.160.601.161.730.840.880.280.910.940.840.960.671.810.681.841.870.830.560.760.470.361.800.530.670.920.920.660.980.560.650.260.691.181.011.111.910.810.920.330.940.970.720.652.340.890.450.581.811.940.760.710.840.740.721.040.940.640.750.740.540.651.130.850.590.751.811.840.370.561.591.031.040.720.570.921.201.671.170.641.931.581.770.622.940.120.560.871.870.512.040.650.870.961.760.762.081.220.814.471.080.932.172.711.820.830.990.790.83
Tetrahydrocortisone1ME8959010.430.880.841.001.341.230.991.300.381.480.770.741.121.081.584.700.670.830.761.521.350.880.981.291.401.671.111.211.811.060.941.470.700.500.100.791.291.431.491.131.660.930.790.981.040.690.550.501.311.291.250.920.900.811.281.190.780.741.100.750.311.290.590.961.201.340.761.310.801.000.260.731.271.521.012.001.141.550.521.230.980.920.631.800.851.291.113.152.300.810.720.760.430.620.790.901.301.491.490.800.631.510.831.111.361.621.340.971.170.990.552.020.690.700.821.151.771.130.511.261.040.720.451.790.110.470.820.910.620.930.700.410.801.670.751.430.930.914.511.150.681.862.690.710.410.850.690.70
Butyryl-L-carnitineME8957520.650.820.750.670.951.131.020.910.480.341.990.830.962.681.501.290.621.371.090.440.291.221.390.590.910.611.391.421.262.521.741.510.881.051.840.251.791.291.171.953.405.151.191.001.340.850.780.500.600.371.231.730.810.731.851.751.121.181.010.900.760.560.950.800.700.500.740.871.520.740.710.761.891.061.431.160.950.710.550.571.251.580.800.760.810.700.821.040.820.870.881.340.780.720.770.470.660.840.860.810.731.131.270.930.762.251.720.840.961.390.700.670.801.071.080.641.010.650.720.811.371.004.980.752.200.971.090.390.581.141.060.720.550.810.871.970.800.620.610.761.100.890.531.541.430.820.800.88
Indole-3-lactic acidME8957990.540.450.700.321.130.610.670.390.500.381.230.740.370.990.934.410.450.460.811.270.871.180.930.690.620.521.390.800.541.960.690.870.340.371.220.441.800.891.911.311.220.671.261.191.000.590.710.981.361.531.280.981.410.851.130.920.740.471.521.561.011.120.950.590.880.760.620.781.041.160.560.652.060.380.991.591.400.830.840.750.860.671.455.240.890.430.920.790.401.990.940.591.000.731.030.710.880.710.611.120.991.150.510.480.580.830.641.290.620.640.920.450.280.590.781.510.403.641.250.410.801.120.981.841.041.190.980.790.511.140.721.952.171.821.192.361.650.781.231.071.001.300.922.681.630.701.161.09
LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))ME8958200.920.561.291.120.690.861.250.750.700.160.560.670.540.640.564.990.531.430.470.860.671.200.900.890.290.341.660.760.301.310.510.391.730.611.931.141.870.471.891.350.471.250.921.040.270.231.060.900.600.580.640.900.750.640.830.800.600.352.150.890.490.561.820.380.590.650.670.641.831.670.610.342.030.620.721.760.260.380.540.300.660.511.433.550.620.321.310.940.451.440.310.340.540.570.820.461.881.050.850.550.590.530.330.520.880.330.290.670.271.300.920.650.210.571.701.050.830.481.430.560.440.921.300.240.951.731.110.411.411.790.472.260.800.521.371.771.562.780.460.890.080.490.343.551.131.101.921.19
DiosgeninME8957770.850.941.472.120.700.631.101.340.310.550.841.002.141.371.730.422.050.370.722.761.421.861.481.021.182.101.131.111.130.620.701.240.710.740.230.831.752.030.530.330.450.900.690.701.492.030.340.391.041.191.050.591.111.621.471.281.371.021.080.342.061.750.650.710.831.080.160.300.510.960.921.300.950.970.670.621.111.562.052.280.941.010.530.210.911.691.171.782.101.491.440.801.141.400.540.920.551.140.721.691.140.730.921.791.520.350.461.221.520.622.051.501.161.640.970.990.770.571.211.380.571.051.400.650.170.923.320.770.220.691.280.561.170.530.640.581.440.940.342.581.270.400.270.521.651.000.830.93
HexanoylcarnitineME8957940.370.690.600.790.910.801.861.231.320.741.871.851.812.310.940.741.260.921.190.340.341.060.941.031.130.840.921.530.990.540.812.881.280.991.720.891.872.361.371.091.241.771.301.290.940.681.600.721.110.411.891.930.660.901.911.741.330.920.520.950.650.451.504.590.930.880.501.021.270.722.141.531.070.770.470.711.111.610.701.101.342.681.370.291.080.892.771.090.700.581.740.971.781.510.810.982.001.381.151.601.281.351.601.030.721.152.700.801.310.901.031.411.320.760.540.561.300.540.730.980.901.041.070.440.970.312.460.740.761.152.181.151.920.540.710.810.600.401.350.391.060.380.410.480.670.530.390.60
9-Decenoylcarnitine2ME8957390.450.520.550.580.750.571.611.060.900.711.251.641.682.151.460.751.370.691.070.510.531.251.061.271.250.480.711.450.830.710.983.011.200.711.030.881.733.051.341.001.181.401.081.391.160.981.610.811.180.701.651.480.880.631.281.411.351.040.270.890.650.451.164.220.951.160.700.861.461.002.901.860.890.601.580.871.081.791.141.351.671.931.370.351.140.912.691.080.630.511.651.160.981.150.770.792.301.431.101.801.561.021.580.850.621.062.030.751.210.720.971.610.780.660.640.971.420.541.000.930.691.110.940.500.850.402.290.720.950.862.000.732.301.090.961.170.790.491.470.761.180.510.520.571.110.830.440.61
LMFA08020332_1ME8958130.500.540.950.570.750.582.691.530.780.630.961.071.341.851.500.601.220.460.860.800.771.450.881.071.100.650.891.340.850.630.902.451.420.691.071.151.612.401.140.541.421.491.432.021.021.021.370.891.500.691.552.050.590.621.521.700.900.650.571.110.520.501.154.961.061.160.780.571.420.842.652.030.040.611.650.630.961.460.871.431.322.141.100.430.911.092.640.880.770.891.851.250.971.150.850.872.421.820.942.681.791.071.490.840.561.312.380.970.940.851.111.230.550.550.920.881.360.710.740.810.960.841.750.571.020.311.680.930.901.012.490.883.170.901.051.410.930.391.570.620.910.700.510.700.990.790.290.52
HexadecanamideME8957930.230.340.480.640.700.422.741.280.530.450.921.181.422.391.420.641.220.400.950.460.471.531.141.031.240.530.661.330.960.480.851.941.120.751.031.511.853.180.980.711.001.851.421.910.730.981.430.851.650.761.941.880.930.931.261.211.141.160.271.070.500.331.474.900.931.210.330.791.361.132.641.750.760.601.680.750.891.550.911.421.492.381.120.560.951.133.601.100.670.452.031.431.120.861.010.852.431.911.022.942.231.321.670.700.701.062.180.461.420.771.001.150.780.500.450.921.430.540.741.111.001.251.290.381.190.281.780.911.010.882.240.772.500.880.891.200.750.491.840.540.850.480.480.530.840.810.280.52
L-OctanoylcarnitineME8958060.270.460.510.630.640.432.321.730.810.661.171.321.602.031.550.751.570.610.950.420.501.351.051.281.460.560.651.420.880.520.982.971.570.850.921.411.772.631.231.020.811.451.621.930.890.871.280.631.460.671.671.530.780.891.421.481.070.840.321.290.510.301.265.171.031.250.620.821.621.153.271.971.060.591.530.730.941.750.931.641.352.221.170.301.320.793.161.050.680.552.441.231.171.130.800.922.271.600.902.171.571.141.610.600.540.741.830.801.510.781.081.490.900.590.550.731.520.510.750.910.771.121.460.461.150.302.070.670.700.682.140.932.370.820.991.040.700.401.950.500.800.520.480.420.800.560.320.47
N-palmitoyl serine1ME8958381.730.890.450.430.970.790.760.650.420.500.771.101.791.241.030.961.360.801.050.470.540.800.851.000.950.310.501.321.061.190.912.260.510.331.321.151.393.690.550.412.834.580.700.841.491.770.681.171.050.420.781.320.621.101.381.761.051.520.130.460.960.791.332.141.321.120.400.630.871.930.921.241.450.511.101.230.450.571.610.871.791.970.650.730.780.960.600.540.340.661.750.920.391.070.420.431.162.501.161.292.270.741.241.490.860.470.651.900.971.221.650.970.780.271.091.591.570.121.101.321.121.340.730.831.700.571.460.870.650.621.110.442.371.891.064.191.250.690.750.852.021.110.851.021.641.020.650.95
CommendamideME8957611.080.730.590.361.170.731.290.670.410.450.820.751.031.271.351.280.970.520.970.690.521.010.870.801.140.420.631.340.971.101.061.930.580.590.480.521.542.600.530.452.342.501.692.121.111.010.680.991.290.541.061.490.721.121.572.080.891.540.280.920.800.801.251.971.221.160.470.761.433.131.211.330.900.381.050.990.571.121.601.061.511.560.631.200.710.761.130.760.540.831.421.040.631.020.500.501.091.641.022.233.230.661.261.200.730.751.201.281.060.751.411.110.680.461.061.711.240.560.950.981.321.171.800.981.170.541.131.020.830.611.440.772.181.311.652.591.480.760.740.841.591.260.571.252.100.960.700.70
LMFA08020333ME8958151.311.040.490.491.080.811.180.850.390.370.870.801.041.180.811.521.170.481.140.620.531.601.140.880.850.410.501.060.721.181.232.360.460.390.780.671.312.330.730.633.163.181.772.381.051.090.410.591.150.501.632.230.641.101.492.460.710.890.200.780.730.781.431.521.751.560.550.921.511.270.961.101.530.640.950.620.620.871.360.941.171.190.621.070.700.881.400.590.500.851.230.820.681.040.490.431.091.981.281.402.600.801.250.840.660.590.780.780.711.181.571.120.690.420.983.190.940.290.711.291.151.171.501.092.500.491.380.970.531.300.801.302.171.631.522.761.190.970.821.012.261.021.001.002.161.550.610.68
N-Arachidonoyl-L-serineME8958320.530.430.700.670.900.811.440.710.850.411.241.581.331.971.011.570.910.780.780.470.511.160.791.080.720.321.371.250.730.560.611.491.130.511.210.531.511.671.471.002.463.201.361.691.000.680.750.601.190.541.411.061.151.311.581.421.821.050.351.090.490.471.391.130.820.630.460.992.731.371.130.591.940.531.520.901.151.520.660.701.501.080.820.630.531.114.360.920.400.760.830.491.160.860.460.442.451.451.731.121.381.091.151.020.930.430.750.580.571.180.781.360.690.630.561.461.380.231.162.620.511.191.000.421.700.362.511.490.802.311.271.311.111.632.211.770.661.932.631.361.100.840.660.561.970.910.590.57
N-palmitoyl serine2ME8958390.380.580.440.581.090.661.900.920.510.320.911.211.152.141.040.621.060.580.720.530.481.490.940.921.050.640.621.280.770.670.791.720.940.571.101.371.652.480.660.451.632.871.391.851.030.910.930.561.580.521.561.431.261.811.421.341.531.020.261.170.490.321.683.321.160.990.450.851.370.821.621.220.970.521.200.720.971.130.931.251.731.960.860.540.711.363.460.800.420.571.770.751.450.950.390.562.821.680.993.022.611.451.720.680.590.511.150.790.880.841.071.020.660.410.581.101.410.400.931.521.300.831.130.400.940.302.171.510.931.491.821.162.231.121.261.420.710.511.340.991.150.661.200.531.470.890.610.60
Tetradecenoyl-L-carnitine2ME8959000.450.940.460.731.090.881.470.880.840.451.201.331.542.811.790.461.540.740.770.430.571.100.980.971.100.690.451.511.020.490.822.220.960.641.180.891.342.260.700.371.372.571.481.811.250.980.890.571.350.471.581.581.212.271.551.452.501.650.180.680.480.420.912.550.920.890.460.830.890.711.171.090.710.601.120.571.241.690.901.431.381.721.210.380.831.542.860.900.490.561.270.551.941.150.430.792.891.751.411.701.971.911.901.100.700.451.110.480.851.180.981.350.930.420.421.081.400.340.901.630.940.971.100.300.780.302.251.610.891.121.281.411.680.881.301.000.520.641.740.771.330.471.430.331.241.090.630.63
Wortmanamide A1ME8959140.300.680.500.750.960.681.340.720.860.491.381.531.412.881.440.611.070.510.750.460.431.611.031.071.010.500.581.320.760.480.732.381.130.860.800.821.542.520.790.521.071.941.071.541.511.060.200.661.640.551.951.231.652.041.171.172.581.630.180.830.530.361.122.750.760.920.520.811.551.041.460.880.890.551.170.611.251.621.061.471.771.720.910.390.681.213.640.870.400.441.240.621.531.030.410.603.391.521.592.032.021.391.631.270.740.400.950.510.840.830.961.510.780.530.371.161.360.381.312.150.630.840.740.340.940.312.631.690.291.621.410.771.431.041.251.130.510.921.351.161.090.661.350.361.351.010.690.56
N-oleoyl threonineME8958360.850.990.350.621.270.971.100.150.580.360.980.871.321.841.600.831.240.770.990.580.530.900.910.710.870.760.531.480.810.900.911.750.770.811.060.681.501.910.800.551.703.941.551.671.071.050.560.810.880.441.261.470.731.281.272.001.311.120.090.720.540.601.301.801.341.720.380.681.621.420.830.870.990.680.730.480.771.021.241.051.481.560.730.820.671.162.580.760.570.800.780.531.421.080.470.491.712.141.391.392.401.461.270.810.680.560.760.710.701.001.831.400.640.390.641.912.200.120.781.341.460.941.190.680.950.431.691.310.591.191.391.371.611.361.781.690.781.091.530.971.680.821.030.761.701.230.800.83
Serinolamides DME8958910.711.310.480.821.171.001.150.990.880.641.101.161.792.212.050.631.420.891.000.570.590.930.771.001.160.770.511.881.380.650.751.820.850.730.900.871.011.670.800.551.813.711.441.310.990.990.710.481.020.581.721.310.641.231.411.412.191.210.340.660.751.030.821.701.341.050.470.720.720.660.720.780.770.871.060.671.291.980.800.931.111.601.320.620.921.392.140.620.510.570.880.481.531.280.580.982.011.651.260.971.051.831.381.310.940.631.130.540.800.980.971.771.130.470.601.051.140.530.521.180.750.961.000.300.770.541.871.140.731.330.931.451.230.650.880.750.641.081.390.611.100.371.060.320.811.141.120.74
N-stearoyl serineME8958420.570.930.460.661.491.001.170.830.600.370.941.181.201.501.190.730.930.810.810.590.481.060.690.800.940.890.681.340.871.000.771.240.950.771.311.031.291.620.700.601.663.361.241.320.880.900.770.531.190.561.081.040.811.211.301.341.600.800.500.950.610.561.512.091.441.330.490.750.820.740.880.831.130.661.130.760.840.960.850.751.381.531.330.830.701.121.880.670.500.811.210.621.741.080.500.702.091.520.871.621.511.581.111.030.780.860.890.860.930.761.290.060.850.390.751.272.200.410.621.531.500.731.150.410.760.601.851.350.661.371.151.181.660.931.041.500.780.501.180.831.540.571.250.541.131.091.290.73
PalmitoylcarnitineME8958550.690.730.720.901.760.960.870.910.710.580.801.151.960.991.151.101.170.870.940.710.641.030.850.830.900.910.781.220.801.190.840.961.020.931.081.001.251.380.780.751.452.170.960.960.680.810.690.520.860.750.950.940.640.711.031.121.220.670.710.840.860.791.421.401.581.380.500.830.730.680.650.721.480.811.020.870.781.080.700.671.211.442.051.131.071.291.490.920.850.951.200.821.301.450.781.111.451.190.871.051.231.341.021.211.020.660.811.101.100.841.220.991.140.620.871.070.980.880.680.981.081.051.280.370.900.971.880.850.821.290.851.341.070.801.031.350.960.870.730.711.370.580.840.761.111.051.440.73
LMFA08020334ME8958161.151.120.881.601.771.081.201.230.670.681.280.681.101.011.570.891.210.850.740.620.740.890.701.271.270.540.761.440.970.940.941.770.740.480.850.821.422.800.871.102.651.950.780.730.921.010.970.610.700.801.461.370.530.351.821.791.921.950.520.960.770.551.041.921.801.660.981.250.890.351.060.891.060.941.180.810.920.881.001.041.180.970.720.520.731.341.080.770.720.610.790.461.271.070.750.600.730.530.990.900.901.580.681.010.320.560.780.580.520.831.160.870.771.001.331.960.981.160.660.650.930.551.130.490.921.071.781.270.791.181.320.041.961.640.762.650.060.990.890.051.810.240.700.471.211.051.300.60
Dodecenoylcarnitine1ME8957830.631.400.431.160.651.000.710.510.540.850.661.441.810.951.850.672.341.090.741.021.161.480.800.622.520.390.340.971.520.481.303.380.760.501.251.390.891.240.821.040.873.081.641.720.891.870.610.750.820.501.771.740.820.882.592.262.391.760.100.670.830.730.552.240.981.710.251.020.651.161.740.951.330.771.180.930.761.950.521.511.591.700.800.600.611.781.300.720.490.901.571.431.441.810.430.900.612.050.631.051.470.952.591.000.390.881.680.550.741.241.391.630.840.730.331.350.440.521.531.271.400.661.450.490.720.263.441.861.080.671.681.241.700.761.551.881.170.301.330.640.820.451.060.352.361.530.350.69
Spirotoamide CME8958940.510.930.650.830.750.790.911.540.800.681.220.942.261.111.431.231.990.781.050.460.921.161.451.521.730.420.851.070.910.671.203.220.920.621.840.851.840.660.981.200.731.320.971.081.121.110.870.841.330.981.111.200.320.821.121.471.851.410.240.560.611.111.081.141.051.180.651.280.540.860.890.741.580.741.631.490.591.580.950.821.652.211.570.611.151.602.060.901.090.820.761.081.311.360.350.810.961.151.080.251.061.031.171.271.000.431.020.711.330.841.190.931.160.750.851.301.460.541.700.710.510.990.850.391.540.402.540.631.170.680.891.221.671.321.161.481.350.610.800.541.260.480.780.462.451.020.850.76
N-palmitoyl glutamic acidME8958370.611.370.121.070.841.071.040.750.820.711.021.191.661.981.690.791.341.771.030.720.850.311.301.482.180.910.231.160.931.041.260.830.670.931.661.111.582.371.290.361.271.611.552.001.441.030.910.501.320.401.531.160.600.752.441.812.461.900.230.210.410.750.941.591.612.030.411.170.701.011.310.961.050.401.151.011.121.320.761.340.760.881.270.801.562.470.511.120.530.772.020.780.371.260.310.781.032.131.001.271.181.701.151.420.570.322.400.400.701.100.831.131.601.050.502.331.020.601.051.220.750.890.960.550.990.493.861.970.771.001.191.402.051.891.032.321.110.651.410.691.370.450.620.401.641.260.410.87
Bacillamidin AME8957481.161.080.820.521.040.841.540.641.101.000.991.181.421.481.020.581.150.560.961.970.671.010.891.321.520.950.651.230.820.851.241.940.960.500.880.621.811.951.100.881.351.741.171.891.291.240.921.021.551.251.551.250.440.902.412.271.791.160.471.020.590.480.911.380.971.440.780.920.891.051.360.770.920.741.411.240.951.050.851.071.350.981.200.591.221.581.391.231.240.621.421.031.211.260.610.531.010.811.221.441.511.771.451.280.741.011.410.940.991.281.320.920.770.621.311.931.210.521.911.221.051.401.410.660.970.663.041.281.070.871.101.541.921.831.802.190.960.741.341.081.311.181.201.051.641.310.170.80
Tetradecenoyl-L-carnitine1ME8958990.731.160.530.951.220.791.281.420.780.640.911.181.601.841.720.611.840.860.980.680.831.141.291.201.700.790.591.240.970.671.182.220.720.551.311.191.542.540.930.561.182.711.532.171.221.330.930.771.160.491.351.210.571.281.711.462.181.360.170.570.560.671.051.581.511.630.501.020.850.911.180.880.980.740.910.610.701.150.891.531.121.561.730.531.081.672.431.130.840.611.300.861.741.140.490.641.171.040.731.081.331.711.750.900.670.531.040.480.660.911.411.201.080.550.641.841.220.431.301.091.261.361.040.320.890.473.731.760.781.091.111.511.691.441.141.920.890.711.071.011.310.540.850.531.991.320.440.76
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate2ME8956860.631.000.610.911.340.931.121.130.680.671.271.241.231.961.090.601.350.941.290.650.761.221.081.211.600.640.791.401.000.871.311.980.870.551.171.021.462.180.700.751.701.891.512.261.491.560.910.551.300.651.411.250.651.201.981.721.991.410.260.960.770.571.201.321.251.360.440.961.091.011.510.921.170.731.110.910.841.120.871.151.141.081.090.540.891.711.961.180.730.671.620.941.511.360.700.621.000.800.841.171.140.381.750.980.780.711.270.480.590.881.420.931.050.710.601.940.990.451.751.191.091.081.250.501.120.574.381.621.171.181.251.271.631.811.042.231.120.590.291.351.290.810.800.861.831.310.470.70
Wortmanamide A2ME8959150.480.950.480.661.110.791.170.910.860.691.141.501.402.431.410.611.451.420.890.580.691.411.151.381.450.540.701.440.940.701.122.520.770.450.930.851.622.480.840.632.251.991.171.621.841.440.870.541.220.581.341.000.781.051.501.442.331.510.150.560.700.611.141.501.091.240.540.891.080.891.610.900.970.641.070.700.911.231.021.221.581.451.280.520.941.522.071.040.590.621.520.961.311.230.480.611.610.921.151.041.191.611.741.050.660.480.930.500.660.851.171.120.910.550.551.921.190.491.971.430.851.020.800.350.920.554.641.951.130.941.240.921.881.751.082.020.420.671.031.401.310.750.910.641.881.310.500.71
3-hydroxyoctanoylcarnitine1ME8957230.610.940.450.841.110.691.021.120.730.780.931.161.381.471.220.571.360.440.830.600.801.160.931.281.690.540.601.461.010.841.352.190.860.491.251.141.742.761.250.511.511.741.872.011.441.681.030.691.470.651.141.260.531.372.142.021.901.690.261.060.490.591.121.451.251.530.531.161.091.311.601.181.180.770.990.860.810.990.841.250.931.071.110.300.961.271.821.140.770.581.650.991.531.410.500.560.860.860.991.171.351.901.460.700.760.721.250.260.590.881.470.860.960.520.663.191.100.651.911.371.011.261.370.660.310.503.491.301.041.110.650.891.742.310.631.611.070.681.201.170.900.630.680.451.991.460.530.72
3-hydroxyoctanoylcarnitine2ME8957240.670.720.440.740.910.721.141.100.860.730.851.331.331.450.840.571.050.100.700.540.641.040.771.321.540.550.611.270.901.031.271.490.810.441.411.011.682.230.980.401.351.781.931.581.311.321.110.721.490.611.151.170.591.352.261.981.461.240.351.020.420.431.381.451.191.240.541.201.131.151.621.191.160.741.190.760.840.760.900.921.001.021.060.440.931.321.751.100.690.571.850.951.541.150.450.450.770.801.051.030.902.001.250.770.550.741.240.390.590.891.520.780.930.500.712.631.090.761.881.291.131.311.420.590.920.675.541.441.091.131.271.652.181.961.352.571.050.981.240.981.370.550.650.731.891.420.580.75
3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-5-oxohexanamide1ME8957210.960.890.910.351.221.770.960.410.610.211.460.910.350.920.092.090.311.730.491.100.561.000.851.940.501.261.222.181.812.061.230.762.230.992.220.451.220.400.831.081.821.930.880.421.580.510.560.160.620.221.441.671.100.762.121.020.970.421.000.611.940.431.520.670.940.230.911.380.910.520.540.872.790.761.700.891.260.980.380.291.080.921.381.190.970.490.411.140.551.161.681.043.541.580.730.560.530.801.141.980.741.180.480.640.300.860.551.840.732.640.570.900.410.801.230.521.371.110.830.802.471.081.170.631.880.721.060.510.320.820.911.040.530.611.001.960.730.830.930.500.700.450.381.880.911.011.280.87
5-Hydroxyconiferyl alcoholME8957340.960.430.780.442.431.561.090.710.930.350.861.301.470.721.021.280.821.060.881.681.001.810.720.690.492.031.041.911.321.910.951.421.521.492.121.010.800.651.801.254.492.720.580.670.680.491.200.770.991.092.760.911.000.542.732.870.690.830.750.861.901.361.380.800.970.801.051.130.680.510.960.842.280.601.281.311.651.280.950.551.221.261.891.981.741.121.041.860.771.291.780.961.270.920.930.591.130.750.760.760.620.640.321.260.711.470.780.830.500.920.910.730.610.890.991.421.211.980.780.500.420.570.390.422.080.651.290.610.370.611.400.780.750.960.500.780.730.461.480.450.740.620.481.120.300.600.770.99
2-methylacetate-3,5,6-trimethylpyrazineME8957111.850.510.760.190.121.031.041.820.760.431.600.900.821.421.350.470.450.590.671.091.033.411.310.420.510.150.651.231.280.591.591.400.641.000.520.891.960.502.401.340.921.000.641.132.161.172.392.790.440.562.521.470.571.510.461.101.240.670.750.821.380.951.100.782.081.570.781.270.800.461.210.881.790.671.540.831.640.990.642.082.791.221.860.601.230.330.821.221.451.060.930.750.851.111.030.850.790.790.781.191.980.651.321.011.580.801.621.250.951.481.091.111.080.961.670.740.900.930.680.620.300.790.860.380.501.620.690.620.812.420.741.190.670.661.021.030.841.961.720.700.591.060.650.640.371.360.851.07
DecorticasineME8957741.690.551.020.230.971.300.700.750.520.290.440.810.511.311.060.450.611.240.711.300.941.081.600.340.930.270.660.721.800.911.701.180.270.660.621.001.360.772.500.551.441.200.930.750.570.432.451.700.481.852.572.860.831.330.641.141.250.451.250.780.890.781.140.541.602.750.721.590.360.371.090.660.670.570.552.720.731.080.581.703.261.901.580.970.550.320.560.610.691.111.210.541.000.851.141.180.630.730.821.241.771.042.180.661.620.512.200.800.781.470.950.640.630.760.990.941.261.851.130.781.260.550.710.660.361.250.310.720.381.020.550.460.750.860.381.380.470.351.210.831.041.031.290.761.281.241.321.09
CreatineME8957650.850.501.340.480.891.921.550.451.670.351.691.300.331.980.351.090.522.611.990.910.421.821.551.290.551.521.721.860.461.330.720.380.971.240.500.581.490.491.652.140.650.571.310.381.490.261.311.140.790.312.202.121.120.642.422.210.960.880.830.562.140.860.950.510.910.391.061.571.981.021.591.690.560.862.020.961.410.620.560.301.351.220.771.801.010.511.181.150.741.160.791.121.790.691.560.870.470.331.900.650.481.590.641.600.541.531.530.860.411.280.420.830.651.201.210.310.670.400.580.520.990.821.120.810.381.520.511.181.201.042.380.570.340.220.490.490.420.671.390.281.570.731.620.790.220.531.191.02
Asperorydine LME8957460.761.260.791.570.841.670.920.831.211.800.431.771.762.801.150.730.991.111.460.991.060.821.050.970.981.422.251.150.702.100.840.411.001.162.920.871.932.112.611.300.624.320.911.080.850.771.080.810.740.891.871.131.300.901.511.391.621.210.460.781.342.021.931.060.761.210.881.240.921.000.900.910.431.311.311.921.071.510.790.850.370.352.151.631.270.991.550.971.190.581.461.291.012.130.970.911.881.370.591.351.061.020.870.641.061.441.191.171.230.761.111.300.770.871.191.700.961.041.020.590.891.341.461.650.341.011.481.171.491.460.830.760.990.890.671.130.970.821.030.741.211.181.391.220.950.840.031.13
TaurineME8958980.981.070.450.940.741.351.040.720.851.031.080.731.161.081.480.790.710.691.040.770.990.610.781.160.910.550.890.730.840.821.291.000.580.950.751.050.660.990.671.151.191.511.621.051.040.980.800.830.920.890.821.401.071.231.211.760.750.953.621.841.250.730.821.411.111.270.941.350.920.841.290.990.501.140.920.691.061.080.540.960.955.570.690.830.891.610.711.181.360.791.731.240.960.980.830.941.011.130.520.881.220.861.160.951.320.961.411.641.640.880.951.891.101.030.981.381.070.711.010.991.170.801.610.830.641.420.791.012.071.161.231.031.150.770.760.960.651.060.790.770.870.670.660.890.900.740.990.59
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate1ME8956851.440.831.061.221.551.661.221.521.110.591.671.571.041.560.470.800.822.321.840.370.361.641.092.020.831.381.691.671.111.522.141.151.420.942.030.951.701.023.531.440.940.940.630.581.931.590.690.370.810.602.040.771.021.112.150.971.930.920.721.251.940.881.020.900.430.920.940.831.050.730.970.931.650.922.140.981.111.260.910.791.691.271.160.400.760.550.591.040.390.111.651.011.501.481.910.781.010.910.770.990.761.560.691.600.690.701.120.580.660.920.771.371.461.841.101.470.990.321.030.750.311.010.800.432.070.272.070.520.501.080.531.210.720.870.341.060.660.470.850.911.290.580.330.600.391.070.800.60
1-(tert-Butylamino)-3-((5,6,7,8-tetrahydro-cis-6,7-dihydroxy-1-naphthyl)oxy)-2-propanolME8956941.440.791.021.271.641.020.701.580.750.731.221.280.901.240.851.420.912.581.380.560.451.190.911.950.970.921.281.280.921.242.070.912.750.701.561.171.261.055.311.261.531.170.640.471.751.900.680.690.840.691.480.700.910.691.331.971.210.740.541.311.501.240.831.110.600.750.880.980.840.931.101.021.120.631.660.960.891.330.650.561.401.191.460.441.050.720.520.700.600.561.000.871.001.481.861.211.140.970.700.880.960.780.601.250.680.821.030.971.190.730.641.141.261.051.012.211.110.461.380.790.470.820.740.811.660.442.130.790.480.890.411.561.491.200.401.230.750.930.771.241.250.940.520.620.501.940.830.67
Cladosin LME8957601.370.971.531.301.771.190.530.841.210.850.881.360.901.471.141.280.882.581.670.740.601.090.681.881.220.671.652.021.101.461.760.782.510.802.281.201.711.493.420.881.081.580.660.511.861.320.991.031.010.562.120.761.040.651.952.781.540.980.531.331.541.020.891.260.460.390.841.091.110.801.340.921.080.731.130.711.231.490.700.811.141.451.530.640.730.910.480.650.610.860.980.691.231.061.700.921.970.960.860.670.771.040.371.090.620.660.830.911.080.710.881.360.800.750.812.221.360.631.270.850.740.680.330.681.440.701.920.550.361.000.621.661.050.970.381.350.770.701.591.261.160.860.480.790.481.470.700.63
Diphenyl SulfoxideME8957781.271.001.271.071.991.090.950.990.970.651.561.541.021.090.791.191.021.241.041.200.971.191.050.990.933.491.261.091.071.210.920.941.230.953.851.921.050.891.271.031.180.871.001.050.941.031.020.960.840.790.920.891.000.880.950.911.060.901.200.971.120.801.241.001.070.911.031.021.101.111.000.922.850.991.130.911.400.961.040.851.151.022.630.832.060.901.172.550.991.411.051.010.980.880.920.820.950.880.930.840.741.030.941.010.971.171.120.990.940.971.220.721.721.080.970.891.200.811.031.034.070.840.970.941.031.171.171.100.901.051.060.990.890.820.891.011.131.090.940.961.020.760.881.051.040.990.431.02
ethylbenzoateME8957851.550.402.270.851.681.330.870.820.930.841.151.040.270.690.581.610.371.791.160.850.872.553.230.650.490.681.211.561.300.680.691.920.861.362.100.510.911.140.821.330.610.790.690.622.071.560.420.510.961.011.550.841.340.911.341.711.461.100.481.291.390.631.140.580.461.120.490.580.941.980.940.821.050.340.451.351.521.721.982.301.490.751.250.821.040.591.250.990.880.910.990.820.471.050.790.491.010.751.031.891.290.900.480.890.780.430.280.920.521.061.021.150.481.461.831.461.102.111.640.480.321.370.741.430.610.590.761.020.981.060.730.310.670.760.321.430.990.660.321.102.321.420.571.361.590.581.040.97
(S)-AbscisicacidME8956881.320.332.560.791.661.500.830.430.980.810.711.070.140.780.561.380.501.951.270.590.602.743.200.660.380.741.311.681.370.830.721.690.971.192.030.400.951.060.991.440.560.630.560.661.911.830.420.530.891.121.690.931.390.491.271.841.421.240.480.960.990.511.240.640.501.350.540.550.842.091.070.791.230.200.491.511.661.582.162.481.660.661.530.771.100.591.380.930.970.951.050.910.481.000.860.441.050.821.121.691.481.080.580.970.820.470.300.800.591.171.081.320.441.481.681.781.282.171.840.440.211.060.591.710.650.610.880.940.771.020.580.310.690.740.311.781.100.490.211.072.301.760.580.981.290.670.991.09
CortexoloneME8957622.110.700.970.790.630.840.800.651.220.223.190.230.601.490.661.581.681.822.990.731.211.190.941.050.771.360.881.421.050.971.272.080.920.740.311.182.261.500.561.441.111.541.722.361.431.020.610.470.600.601.811.650.791.061.731.702.730.480.821.951.801.940.960.191.180.561.130.710.770.611.311.160.980.771.341.351.070.771.200.642.411.130.501.161.050.360.630.861.830.260.920.361.220.891.120.810.590.540.810.801.230.490.271.210.450.710.281.071.380.810.670.531.351.481.710.570.521.671.201.500.710.862.400.370.222.311.700.670.711.661.031.480.660.490.591.191.470.660.910.791.110.230.160.891.240.900.821.00
N-{3-[(4-Acetamidobutyl)amino]propyl} acetamideME8958310.980.811.310.720.440.920.530.891.430.841.790.171.801.810.821.431.083.192.530.470.670.991.371.290.700.970.931.341.020.900.631.941.290.781.390.422.171.911.841.261.060.960.961.051.421.151.221.410.821.031.881.401.241.301.651.451.121.140.581.410.832.431.121.231.382.321.210.780.680.821.101.341.190.641.692.021.561.270.780.831.251.760.360.850.750.791.250.991.150.590.900.921.571.041.151.860.620.900.510.550.621.161.110.741.410.561.041.051.090.980.510.850.761.290.730.971.000.920.730.720.761.631.260.321.460.720.700.700.920.990.260.881.020.510.860.880.851.620.940.571.410.810.311.120.420.780.800.94
2R-aminoheptanoic acid1ME8957160.820.171.070.930.471.040.601.061.270.721.380.891.910.160.410.921.260.330.310.801.060.621.481.220.690.900.471.080.471.701.061.590.941.681.312.201.201.342.621.610.292.050.400.820.791.010.290.810.311.191.290.940.850.690.791.351.441.950.270.601.061.501.240.090.900.850.791.070.710.941.631.571.011.360.881.311.591.622.411.740.242.151.661.050.811.440.980.951.511.581.700.700.770.641.101.220.530.690.881.071.490.330.740.920.701.331.151.081.810.951.321.151.800.621.451.311.211.863.021.020.221.460.840.300.790.791.841.010.711.170.821.921.050.641.180.780.631.180.300.410.771.031.001.291.320.800.871.49
OleamideME8958530.490.530.971.301.681.010.550.771.031.051.292.770.780.430.740.931.241.030.851.210.670.440.481.160.910.690.830.750.600.980.850.660.631.371.081.950.820.740.770.690.500.960.790.811.061.181.800.940.601.110.490.620.601.010.951.430.470.730.930.790.740.910.660.540.650.700.820.971.094.012.651.451.240.570.740.970.791.301.111.540.720.570.611.050.830.530.472.141.902.030.620.630.860.760.610.941.401.271.110.601.631.380.821.011.121.090.971.000.910.581.430.961.210.910.661.150.800.921.191.270.750.961.140.970.610.560.861.200.681.401.081.301.470.571.150.990.882.490.701.280.761.190.950.930.631.251.230.89
MethohexitalME8958250.850.551.750.720.620.741.810.651.020.561.420.830.681.930.740.890.621.461.131.621.055.151.020.780.580.661.021.280.691.550.771.050.860.480.870.891.950.711.240.750.970.570.620.911.700.951.200.701.680.961.120.731.221.111.341.051.410.621.230.911.920.961.000.450.660.460.900.961.460.590.960.712.320.551.400.642.180.741.210.691.101.921.531.001.180.871.081.180.730.951.000.641.460.781.230.840.850.691.041.060.930.960.561.020.571.051.351.040.730.740.940.600.420.701.010.801.321.821.610.760.221.441.071.411.631.451.640.730.900.921.380.950.670.762.101.621.571.720.710.840.911.130.901.201.240.610.930.84
PE(20:2(11Z,14Z)/0:0)ME8958760.690.180.660.760.580.770.840.700.740.710.790.921.660.650.582.280.561.600.711.371.090.571.360.890.350.460.770.520.181.500.850.771.181.412.541.152.120.871.331.300.661.190.510.580.550.250.851.360.671.940.781.161.101.020.671.020.631.081.600.320.780.431.080.670.591.630.550.781.000.810.750.790.831.120.741.730.430.771.261.081.543.941.591.871.070.291.000.541.791.290.430.710.400.640.590.611.471.061.300.701.360.510.861.081.660.500.410.920.551.391.530.580.350.581.031.071.051.001.940.510.301.390.570.451.012.111.150.702.260.760.460.421.861.531.261.271.081.380.852.151.201.521.971.591.471.161.300.63
LysoPC(18:3(9Z,12Z,15Z))ME8958190.890.371.541.060.910.411.000.890.660.250.560.620.480.420.283.150.360.840.891.470.611.261.440.780.350.711.290.720.141.971.060.181.260.870.540.982.080.410.351.390.881.260.740.950.530.501.280.910.400.390.820.800.760.500.580.800.530.511.080.760.971.121.640.480.830.590.680.971.090.650.680.611.490.620.811.860.240.590.840.510.960.982.036.141.080.180.740.950.502.720.370.670.500.911.120.361.930.690.410.951.050.520.450.731.000.820.510.810.401.380.970.820.200.411.591.640.782.341.180.290.601.071.300.490.811.651.170.511.871.770.523.020.970.970.773.781.300.740.322.571.111.230.513.811.470.861.401.44
PE(17:0/0:0)1ME8958631.090.571.210.461.421.121.110.540.620.360.941.010.650.600.291.620.421.381.221.641.081.230.970.850.350.751.590.770.382.140.810.560.630.791.040.731.510.500.861.091.722.010.880.780.510.571.091.110.600.990.801.111.030.410.741.090.490.341.160.861.511.732.050.401.402.110.730.860.960.780.700.531.610.690.821.580.580.641.070.430.920.572.113.511.260.260.871.150.861.260.700.660.630.861.050.411.250.680.810.980.930.600.630.551.091.051.021.410.321.921.030.680.330.752.510.980.970.940.780.420.710.481.651.130.651.391.070.781.521.360.631.390.821.670.672.681.280.550.501.992.011.641.351.891.600.801.261.28
PE(17:0/0:0)2ME8958641.100.581.240.450.801.141.140.540.640.330.981.160.670.650.271.670.381.441.371.611.111.200.930.930.350.791.710.850.412.260.980.580.660.761.030.801.510.510.911.051.922.121.050.820.520.591.151.070.581.000.811.061.090.480.721.290.460.361.010.961.671.932.280.381.511.860.740.881.080.670.760.541.540.720.841.590.590.631.270.381.050.602.103.641.270.260.821.240.771.270.710.710.550.740.960.391.210.710.720.981.060.620.590.511.150.940.981.360.301.930.990.730.350.812.471.000.970.870.810.490.800.481.821.240.781.431.020.771.711.280.641.530.811.730.762.671.250.500.452.032.081.581.281.801.640.821.121.26
1-[(8Z,11Z,14Z)-icosatrienoyl]-sn-glycero-3-phosphocholineME8956961.190.471.050.601.090.891.310.490.830.310.760.700.730.990.481.970.491.040.681.150.951.050.970.590.280.861.161.060.461.660.750.341.320.670.950.892.320.571.191.191.141.580.860.860.810.411.411.490.790.800.811.011.030.731.061.370.520.581.820.850.960.881.660.521.411.210.790.850.690.470.990.541.220.710.821.630.870.900.680.510.760.751.452.370.740.280.980.430.681.680.710.700.720.861.140.621.180.540.790.710.880.820.600.840.881.371.110.860.361.951.370.460.260.481.540.691.000.891.930.410.680.811.300.480.651.551.031.071.481.000.791.500.830.800.931.481.200.500.501.771.520.920.721.851.590.931.711.21
PE(20:3(8Z,11Z,14Z)/0:0)ME8958771.490.490.880.571.290.831.060.501.010.401.011.240.880.920.372.200.361.540.771.431.450.931.180.660.250.921.211.070.331.640.660.441.200.841.040.702.400.531.201.561.822.250.750.650.750.591.491.540.941.340.691.401.230.651.281.770.570.612.260.880.911.152.230.471.481.590.851.140.760.430.860.401.150.770.721.851.050.980.870.700.871.032.323.390.890.200.930.870.951.950.720.730.670.821.190.551.250.510.970.861.020.770.800.970.991.731.441.110.332.401.810.430.320.541.850.550.991.671.430.360.690.621.130.570.591.350.961.261.691.190.711.410.810.940.641.030.920.490.791.182.291.631.331.421.171.000.961.25
1-Linoleoylglycerophosphocholine1ME8956990.820.591.141.100.840.821.201.230.820.370.730.721.150.870.641.400.781.201.041.170.951.141.670.740.570.950.880.860.471.591.140.750.940.881.091.221.631.030.651.160.630.880.991.290.700.751.070.940.590.911.071.001.141.010.730.820.800.820.680.661.141.111.010.801.091.270.730.890.890.700.850.851.140.941.051.630.490.871.171.270.981.241.343.011.050.461.151.011.181.150.500.720.871.030.940.851.380.890.841.001.240.740.640.921.140.550.570.790.581.091.460.790.450.790.781.720.801.412.110.321.141.521.150.520.851.241.240.841.381.470.831.551.030.871.332.351.371.060.371.921.490.910.711.961.641.521.231.23
1-Linoleoylglycerophosphocholine2ME8957000.730.491.001.240.740.661.321.310.740.270.660.701.060.690.571.470.681.271.001.110.981.031.740.670.440.920.720.780.411.801.200.560.830.700.971.421.751.020.521.090.700.820.991.340.660.670.940.840.430.820.890.941.081.000.640.800.730.780.600.591.120.980.980.761.221.150.610.960.970.610.910.880.900.780.971.630.400.861.361.220.961.171.394.010.910.361.091.111.281.270.450.640.800.990.820.751.480.910.630.841.280.680.580.881.250.470.470.740.521.131.470.750.350.730.981.530.761.492.880.291.181.681.130.420.871.541.470.681.491.490.791.810.920.771.532.771.531.100.312.321.640.770.631.871.932.301.241.18
PE(19:1(9Z)/0:0)ME8958721.110.830.960.910.961.091.090.910.990.640.910.791.101.000.761.631.171.471.081.281.430.911.190.640.420.791.201.130.821.200.831.020.800.661.130.901.220.730.830.921.482.041.050.900.740.671.040.930.661.131.221.400.810.570.971.230.720.640.800.611.101.981.090.501.001.300.610.820.820.740.620.731.321.150.931.430.781.341.020.670.960.971.554.601.200.371.180.830.861.100.440.560.581.001.040.821.150.980.920.600.801.141.090.900.800.780.870.670.441.291.120.970.550.751.241.030.901.301.070.330.630.741.270.540.831.511.490.611.421.250.692.171.000.890.701.551.560.840.541.401.360.860.851.301.470.961.261.76
PE(18:1(9Z)/0:0)ME8958680.690.560.950.810.720.620.881.130.610.580.720.901.240.710.631.900.861.910.641.591.020.631.200.680.570.721.090.630.421.491.040.900.781.181.910.991.510.740.821.041.101.260.700.840.590.721.221.160.551.071.051.091.000.870.780.780.811.110.810.520.771.191.110.660.881.210.550.940.650.580.540.591.270.850.621.720.560.820.931.460.821.492.414.491.250.400.850.771.181.340.530.610.620.810.970.711.210.850.660.740.820.610.750.780.970.660.650.670.481.001.530.580.450.610.990.940.792.052.090.281.381.140.740.520.721.920.850.611.161.120.531.530.821.040.871.591.020.910.651.391.661.221.381.990.891.291.481.54
PE(0:0/18:2(9Z,12Z))1ME8958591.030.590.830.900.920.660.891.230.890.510.770.951.290.760.551.410.641.781.011.501.310.861.390.610.461.241.140.940.431.810.970.900.840.961.071.041.780.980.611.161.141.410.720.970.741.121.251.040.531.271.031.331.320.880.801.020.780.850.890.621.061.591.410.711.221.630.580.980.790.460.740.581.060.910.741.390.600.881.431.480.811.422.545.151.090.290.880.971.231.330.500.650.801.010.980.791.460.740.660.991.220.690.860.861.040.850.760.930.451.191.860.690.510.771.391.250.743.221.630.261.351.150.840.580.561.221.280.901.481.850.581.850.620.820.781.620.800.730.422.261.911.471.211.970.971.350.891.32
PE(0:0/18:2(9Z,12Z))2ME8958600.930.490.751.001.050.610.841.240.840.480.761.131.130.740.441.350.641.850.981.421.250.871.420.550.441.211.040.930.411.861.000.750.780.931.101.151.721.040.551.231.211.530.790.910.761.261.160.960.521.100.911.251.340.870.790.940.800.910.850.611.181.591.440.771.321.680.560.990.820.390.760.611.050.980.711.330.620.911.361.470.731.372.586.230.990.280.881.111.211.360.480.600.730.980.890.711.470.750.590.841.210.620.860.841.150.780.730.920.401.211.880.720.530.751.371.240.693.681.970.241.511.140.740.560.581.101.330.971.441.740.591.960.610.910.741.720.800.750.421.992.061.381.061.990.931.410.871.36
L(+)-CitrullineME8958090.441.180.921.100.910.371.000.600.920.521.240.821.080.950.601.450.861.022.310.801.210.891.130.450.770.630.061.651.051.931.851.090.621.030.611.831.111.340.862.321.260.411.531.790.340.920.931.030.790.421.311.780.710.281.692.020.910.870.801.771.362.040.840.600.890.950.231.421.570.301.200.960.651.160.621.571.841.591.431.170.701.191.112.401.190.930.991.081.691.030.361.190.680.721.171.391.000.720.620.530.760.230.200.371.621.381.560.931.011.381.650.940.891.151.201.070.742.281.610.131.250.740.561.101.080.850.140.811.022.001.221.260.930.911.291.091.001.380.390.961.730.871.031.841.371.180.890.90
PS(O-18:0/0:0)ME8958881.091.131.941.591.581.651.171.510.720.541.330.972.040.790.960.501.871.591.640.860.951.001.630.720.590.600.820.780.721.091.520.991.461.740.931.141.131.311.081.391.760.821.041.350.931.211.070.810.901.631.471.551.311.191.541.880.880.760.460.661.070.740.790.660.951.470.911.051.511.830.831.051.960.980.860.010.001.240.910.801.701.870.860.910.930.702.481.201.521.310.740.991.151.610.790.800.801.121.710.800.840.760.960.720.900.630.711.000.921.031.581.271.131.101.181.800.970.621.200.440.760.541.190.621.601.341.260.691.390.730.920.731.110.710.720.650.671.260.681.361.291.450.851.391.731.210.680.90
PS(O-20:0/0:0)ME8958890.800.831.861.831.131.061.231.660.820.381.100.681.580.550.540.561.311.131.490.700.880.831.810.650.470.590.590.650.500.871.400.702.342.110.681.071.361.280.741.161.340.591.061.670.791.051.281.070.761.441.041.531.341.100.911.450.780.810.450.760.770.580.640.650.901.580.841.051.331.940.790.901.721.080.821.710.540.930.941.051.741.760.850.830.850.522.221.101.871.200.570.820.801.290.620.650.701.282.210.731.060.550.830.731.280.420.510.670.851.231.611.570.731.161.141.831.260.501.340.460.580.581.800.391.441.351.280.521.900.841.530.701.340.830.790.550.671.460.551.611.681.130.571.572.491.780.890.91
PE(18:0/0:0)1ME8958651.100.751.080.950.850.901.241.040.740.540.840.630.980.600.510.880.801.061.250.950.861.081.310.620.440.741.050.830.461.320.961.000.850.680.770.791.210.840.760.801.120.791.431.500.540.570.580.590.691.110.921.370.860.620.891.210.540.510.650.591.000.970.960.591.401.720.520.480.920.670.580.691.080.900.770.820.430.841.100.711.040.901.241.610.940.360.960.861.101.120.560.760.671.090.760.720.840.810.750.931.060.790.750.640.750.630.650.740.451.191.370.740.461.021.271.580.770.501.110.360.700.752.040.730.801.521.380.581.490.930.660.880.911.170.910.011.440.830.391.191.821.080.901.211.581.342.131.02
PE(18:0/0:0)2ME8958661.160.771.100.821.130.961.330.940.700.450.930.630.660.520.380.750.631.041.321.090.991.361.300.650.480.711.160.850.501.510.960.810.690.620.810.831.280.830.510.721.170.991.551.620.480.550.540.590.690.990.831.460.860.620.931.420.430.450.690.740.960.981.360.611.631.900.610.451.020.640.620.731.070.900.820.810.400.711.120.730.890.761.052.750.880.320.781.081.061.290.500.710.570.960.750.631.000.870.681.061.060.700.720.600.850.660.570.780.371.311.410.820.400.991.591.430.730.561.300.350.950.612.410.900.741.651.330.731.631.150.731.291.041.510.851.941.600.760.391.572.211.240.861.551.801.271.741.07
1-arachidonoyl-sn-glycero-3-phosphocholineME8956970.610.711.181.340.670.881.081.190.900.520.910.801.591.081.291.711.760.910.650.770.891.361.310.810.710.530.870.840.511.090.871.221.310.892.211.451.451.081.241.000.490.610.911.080.530.591.051.110.910.980.770.810.630.960.660.641.151.051.110.660.780.791.071.000.900.950.700.790.710.830.831.011.551.031.101.170.401.010.860.761.081.321.181.331.050.931.400.720.761.220.630.880.961.120.841.061.461.040.880.570.770.760.680.890.890.520.520.800.810.741.040.730.640.790.910.970.920.781.580.410.600.830.880.401.271.711.230.741.450.790.791.151.320.690.981.701.670.700.330.541.020.610.521.511.540.841.711.12
LysoPC(22:4(7Z,10Z,13Z,16Z))ME8958210.540.490.680.880.840.790.770.880.540.310.580.691.400.770.742.221.380.670.680.810.831.051.190.430.570.510.510.670.360.970.740.850.820.631.321.171.861.030.620.820.630.880.510.860.530.550.990.960.781.040.590.880.520.730.450.650.580.891.230.600.510.761.470.830.891.220.500.830.410.440.850.851.360.711.022.090.510.960.720.740.912.251.452.241.030.590.790.640.741.180.560.800.601.030.590.821.571.020.810.541.150.650.680.650.840.580.470.810.610.581.080.680.430.460.940.670.791.021.880.300.450.620.740.291.011.900.890.531.780.601.181.201.450.640.721.411.620.320.210.721.000.560.601.511.720.522.371.34
LysoPC(22:5(7Z,10Z,13Z,16Z,19Z))ME8958220.550.540.771.210.660.721.131.560.670.240.520.691.600.750.851.921.270.850.640.750.731.111.460.530.610.580.770.700.341.030.670.800.890.511.591.431.771.010.720.650.440.780.600.890.600.641.030.760.701.050.590.890.530.900.400.630.610.762.080.610.410.631.550.790.851.180.340.540.660.650.650.691.520.890.942.000.320.950.800.650.741.151.232.240.900.461.050.720.791.330.440.590.631.020.711.051.691.300.700.460.800.730.610.720.870.400.300.600.460.771.420.580.450.581.300.840.800.712.380.510.520.820.740.210.811.581.440.441.651.211.061.501.070.490.941.211.660.820.250.910.990.280.291.751.620.882.271.10
PE(18:0/0:0)3ME8958670.660.420.661.080.680.510.560.880.540.640.710.721.410.560.631.280.790.690.720.620.700.621.050.670.500.450.620.490.330.740.770.660.720.711.010.791.140.860.760.991.000.780.640.920.410.570.860.850.430.930.621.110.580.640.550.630.520.780.890.670.601.030.900.690.801.020.390.790.670.610.380.591.030.790.621.530.510.910.690.780.691.931.562.490.680.540.810.571.080.810.510.720.610.790.540.780.760.730.650.480.700.510.620.711.000.540.490.630.600.850.980.700.690.560.921.020.491.501.090.290.670.760.750.461.001.280.810.481.091.230.551.060.740.860.641.000.780.760.540.851.010.960.690.970.900.883.001.24
10-oxo-nonadecanoic acid2ME8957040.710.590.701.380.730.560.481.240.470.830.930.861.730.530.881.721.180.820.730.760.910.741.060.710.670.530.900.510.400.850.860.840.940.871.371.031.041.180.961.571.561.230.921.360.380.800.840.990.621.260.661.140.701.010.570.790.600.901.040.680.681.171.071.081.021.100.280.720.880.750.470.841.241.090.731.310.511.030.790.980.831.731.562.830.810.671.130.670.990.970.580.800.630.970.531.080.740.910.690.510.770.620.620.741.360.630.560.720.790.751.080.710.940.851.041.110.551.911.120.350.761.030.630.691.141.370.850.640.871.240.551.310.951.130.761.280.760.910.841.251.001.441.311.040.931.001.951.22
10-oxo-nonadecanoic acid1ME8957030.620.560.741.460.780.610.521.250.540.770.870.811.830.520.881.551.100.860.760.700.810.811.130.700.720.540.760.480.390.840.800.890.871.021.400.930.961.020.861.331.241.080.731.080.390.780.920.800.581.320.641.040.750.990.750.760.620.821.040.660.601.050.850.830.701.130.310.710.760.800.490.721.140.880.611.290.461.010.690.980.721.681.572.910.820.681.120.681.150.950.620.820.670.910.581.100.970.840.700.450.850.550.730.841.210.660.610.680.720.771.080.670.990.740.910.970.541.691.100.400.730.930.740.580.861.310.850.640.851.330.571.280.931.060.861.350.760.940.721.191.111.541.200.941.020.892.181.08
PE(16:0/0:0)ME8958620.660.560.681.350.640.560.521.200.510.760.860.791.780.490.871.631.030.770.730.710.840.611.090.690.690.510.810.510.400.850.840.880.850.781.340.900.981.000.921.241.321.120.721.160.380.780.870.890.541.320.671.090.681.000.610.740.630.931.030.670.601.070.890.790.701.020.310.720.750.800.480.761.130.890.601.250.510.990.691.010.721.731.562.960.810.681.160.691.130.950.540.810.660.970.571.100.910.820.730.470.830.600.700.781.250.690.640.690.720.751.070.610.900.730.851.020.511.891.160.370.670.910.700.580.831.340.890.640.871.320.531.360.961.100.851.340.750.940.771.181.031.471.260.960.910.912.261.05
1-OleoylglycerophosphocholineME8957010.710.641.071.230.690.770.881.200.660.470.640.611.640.710.781.501.081.171.020.910.970.821.590.680.610.610.630.710.491.071.120.800.780.771.101.111.401.060.700.960.681.000.971.360.540.640.870.860.650.940.901.270.770.970.680.920.710.800.750.680.861.080.810.740.921.150.640.950.670.850.620.831.120.850.712.140.500.940.770.900.791.071.162.641.020.581.050.781.211.030.530.790.741.140.671.081.011.010.870.701.030.670.800.751.020.480.580.640.641.101.090.840.510.730.821.260.631.091.410.370.651.271.170.361.051.650.940.481.231.180.701.550.960.681.181.581.371.030.461.161.460.770.631.281.311.341.901.37
PE(20:1(11Z)/0:0)ME8958750.850.710.981.030.790.871.080.970.820.570.630.480.980.790.711.341.031.231.180.901.070.831.290.490.390.740.890.900.561.180.830.840.740.050.970.831.240.710.830.911.111.171.101.260.590.590.870.750.531.020.861.500.680.510.761.640.520.660.610.460.871.461.070.511.190.760.430.651.220.700.220.711.391.000.851.830.481.080.840.880.790.921.023.000.940.300.470.751.011.310.400.530.471.070.730.800.991.191.010.701.050.760.720.600.200.580.630.490.341.081.331.380.400.621.151.130.640.921.250.310.710.911.380.450.971.621.110.481.411.180.781.691.060.741.371.731.710.880.431.211.490.640.661.621.251.002.031.65
1-[(11Z,14Z)]-icosadienoyl-sn-glycero-3-phosphocholineME8956950.560.360.720.770.610.720.820.630.680.470.500.481.010.630.601.510.620.910.850.800.760.661.110.510.360.430.480.510.281.190.760.530.790.830.560.752.190.850.701.110.810.920.580.910.590.460.910.910.460.900.750.980.720.680.550.790.500.600.730.530.820.990.800.520.781.020.570.740.710.690.560.610.830.690.601.920.430.690.620.710.821.561.052.260.800.330.690.640.990.850.420.600.520.840.590.660.920.770.770.681.170.590.560.601.090.590.520.740.471.061.010.820.340.430.701.060.510.891.520.280.381.160.940.360.741.280.840.511.321.080.761.170.850.741.101.460.960.810.411.640.930.740.661.251.350.942.921.16
PE(20:0/0:0)2ME8958740.940.631.020.990.770.741.121.100.660.540.640.410.760.610.580.660.840.801.080.780.780.801.280.600.450.480.570.750.470.830.900.910.560.610.800.691.100.850.550.710.720.641.431.520.450.470.500.470.500.780.811.330.680.570.761.040.370.570.430.470.620.900.720.601.151.500.350.490.650.760.400.640.950.820.710.920.280.760.830.690.770.910.851.440.650.340.760.681.071.050.430.580.621.160.490.640.800.930.830.731.110.780.690.520.640.440.460.490.370.901.330.970.370.740.931.300.570.531.000.350.780.741.570.480.831.490.860.551.520.790.771.101.040.930.931.271.530.690.381.001.780.810.701.841.281.312.851.11
PE(22:1(11Z)/0:0)ME8958790.550.680.821.130.680.680.791.270.620.470.570.421.070.661.030.961.340.901.050.720.740.721.330.560.630.480.460.730.530.911.101.000.580.720.730.941.191.240.660.840.790.811.181.870.520.600.700.770.520.910.951.390.590.860.611.060.510.800.420.410.730.970.630.821.131.350.440.630.680.840.410.740.920.930.681.410.371.080.730.860.661.230.781.920.840.610.750.601.160.930.390.650.530.990.521.000.881.290.950.671.140.640.730.540.880.460.540.500.481.141.201.130.500.500.731.290.530.601.130.300.630.931.100.361.131.500.690.381.050.890.251.101.140.821.001.641.180.920.421.021.300.520.541.641.241.272.571.14
PAF C-18:1ME8958540.540.520.761.210.620.740.591.030.590.610.520.411.240.621.030.921.160.920.980.750.640.521.450.700.530.340.330.540.400.851.120.880.620.960.560.711.201.030.741.170.510.730.761.320.580.730.660.870.411.090.841.160.631.040.740.740.700.860.420.490.761.020.380.620.701.160.590.860.621.000.390.710.710.810.641.790.471.110.540.990.611.760.871.170.890.600.730.621.390.670.480.890.550.850.570.930.671.120.800.480.880.600.830.571.090.450.680.490.661.261.001.120.550.670.541.280.380.641.270.230.431.221.030.271.000.900.740.341.081.100.580.920.810.590.941.040.931.120.520.930.960.550.530.861.211.312.891.09
PE(19:0/0:0)1ME8958700.820.600.891.110.790.850.821.020.760.760.800.851.310.760.831.151.050.920.940.870.930.801.170.740.630.690.800.730.621.000.950.920.800.760.990.911.040.980.851.030.840.950.911.010.630.850.930.780.711.110.850.930.890.870.790.900.770.740.750.670.931.080.830.880.981.150.600.900.850.870.660.901.090.900.851.190.590.940.820.780.901.041.301.650.960.691.130.881.080.920.730.900.881.150.720.990.920.950.830.660.960.820.790.710.880.650.670.780.780.841.060.900.750.870.941.220.731.081.080.460.761.051.000.580.871.011.110.601.121.040.681.260.810.860.981.121.130.900.551.011.100.900.791.111.080.952.151.18
CholinephosphateME8957570.650.500.771.230.850.780.740.950.680.630.690.881.370.630.701.110.940.810.910.750.870.641.070.610.470.630.690.720.491.010.910.770.670.610.941.050.991.040.681.120.860.970.861.050.530.740.780.620.570.980.670.830.840.760.750.790.670.680.610.560.961.000.870.831.121.030.450.710.800.690.600.921.190.890.741.040.470.970.770.680.820.981.271.780.820.591.110.860.950.940.620.850.711.050.590.910.840.900.680.540.850.740.690.580.830.510.490.650.660.770.910.820.670.830.931.230.691.111.190.350.700.960.990.470.891.031.190.491.150.920.541.300.730.800.901.051.060.790.430.951.120.740.700.930.980.992.641.24
PE(19:0/0:0)2ME8958710.670.520.771.200.840.790.760.940.690.620.710.851.360.620.691.160.950.850.870.760.880.651.080.660.460.600.700.710.441.010.900.770.640.570.991.030.981.050.701.100.870.980.861.020.520.760.760.620.580.990.660.840.810.760.700.800.680.690.630.570.971.010.880.851.141.020.440.750.790.750.570.891.120.900.721.030.430.920.760.640.820.971.271.880.850.571.060.910.980.900.630.870.721.020.610.910.820.950.700.530.850.760.690.630.780.480.490.680.670.740.970.860.710.850.961.280.681.061.180.350.670.930.960.500.871.011.210.481.160.990.551.280.740.780.881.061.080.810.430.891.150.740.710.951.020.972.641.22
PE(20:0/0:0)1ME8958730.670.460.920.990.580.680.860.900.770.550.660.481.030.540.510.850.760.780.970.660.660.721.280.610.470.570.590.630.340.800.880.671.010.820.790.831.090.840.730.860.610.441.001.200.530.550.630.650.510.930.641.070.650.620.680.900.510.560.490.470.700.750.650.650.921.070.450.530.870.920.510.761.020.820.801.290.400.690.750.660.890.990.941.050.810.390.880.691.170.970.530.720.671.020.530.740.610.890.920.650.960.620.580.600.740.460.520.560.580.851.230.940.460.670.771.340.580.631.070.340.580.951.380.391.081.231.050.441.410.840.770.830.910.791.181.031.281.130.450.911.340.700.601.271.231.202.981.13
PE(21:0/0:0)ME8958780.690.380.890.960.740.700.750.710.690.470.690.671.050.720.431.030.670.880.850.760.760.741.160.690.420.490.540.670.360.990.750.530.960.830.660.741.220.830.670.940.650.600.710.850.590.621.180.780.470.890.720.850.800.600.630.690.650.620.640.610.730.750.790.680.871.030.550.750.810.760.510.631.100.760.831.470.580.700.760.740.900.791.301.400.750.440.970.701.030.920.540.710.590.810.660.740.710.850.910.600.860.670.640.680.900.620.610.680.680.961.060.950.500.670.871.060.720.921.130.380.590.871.050.340.911.050.940.411.411.000.730.900.800.720.960.811.020.840.350.841.150.640.461.101.111.003.001.27
DEETME8957750.580.630.771.211.301.220.660.460.760.440.771.151.290.590.800.592.240.770.710.831.190.600.800.550.420.680.450.710.690.770.780.420.611.070.941.530.720.680.510.840.670.610.690.760.771.030.950.390.510.690.790.770.780.750.700.900.620.681.100.561.560.600.670.770.730.460.630.771.051.041.281.260.660.710.710.500.750.840.940.960.540.600.600.520.720.510.590.760.770.750.570.530.830.890.700.570.901.520.780.620.650.690.640.690.680.510.690.710.480.630.590.690.790.690.550.540.890.590.570.700.660.680.800.490.730.650.500.610.700.510.860.770.730.670.620.710.610.770.520.760.720.840.640.650.670.692.862.30
glutaramic acidME8957890.440.660.810.570.710.750.590.480.760.370.750.760.670.350.070.900.760.780.760.620.660.560.550.730.480.580.740.820.830.890.800.920.960.780.660.810.660.800.571.100.890.810.740.610.900.770.660.410.631.120.800.720.760.860.960.970.620.810.641.040.790.750.800.660.650.610.580.772.741.830.660.770.720.650.670.410.810.870.750.500.710.780.440.890.350.610.780.630.870.770.690.730.590.560.610.640.560.560.730.650.750.620.650.840.780.730.710.630.790.690.720.630.700.790.640.710.661.021.110.520.380.390.640.701.390.700.590.500.590.620.670.540.660.900.780.880.860.740.680.510.900.030.720.700.830.683.450.52
N,N-Diisopropylethylamine (DIPEA)ME8958440.530.580.600.670.931.290.640.610.590.570.630.730.820.890.620.620.630.650.590.671.110.860.690.550.600.630.580.650.600.610.670.650.620.570.610.720.880.720.640.720.670.580.780.640.560.590.630.620.730.620.860.690.590.610.580.670.740.680.700.630.690.600.670.710.710.580.580.670.630.700.660.660.880.790.690.650.590.630.630.560.350.380.430.620.390.520.690.583.250.560.440.350.470.460.500.600.390.710.720.500.450.410.400.450.480.440.490.460.380.400.490.430.680.590.450.410.420.340.470.410.330.370.410.390.940.640.520.480.500.500.490.650.510.550.620.570.530.510.420.530.530.560.470.850.570.493.921.40
1-HexadecyllysophosphatidylcholineME8956980.420.310.530.660.510.490.660.780.440.390.470.390.820.540.450.900.800.480.650.580.530.800.870.500.400.290.230.610.370.570.580.500.400.450.290.521.020.740.290.660.450.330.610.680.410.590.620.470.450.700.590.640.570.590.520.660.470.490.520.450.790.560.420.500.960.840.550.550.570.560.480.720.640.570.460.730.500.590.760.530.661.220.640.780.530.460.690.720.700.590.440.630.580.830.500.820.460.580.820.480.680.440.440.610.610.430.390.680.520.380.680.700.350.490.380.650.360.560.790.200.270.710.940.210.840.750.460.220.830.470.560.600.570.310.540.560.850.720.250.440.700.440.360.650.940.534.560.82
D-SphingosineME8957700.700.660.580.610.750.590.810.620.550.590.520.540.630.630.670.620.490.570.560.010.520.650.450.570.670.480.590.580.520.590.520.660.440.490.530.480.540.580.910.580.780.730.580.540.540.500.680.700.611.250.700.570.550.490.570.590.500.541.010.630.610.510.600.620.700.810.490.540.550.550.520.630.550.550.530.660.580.540.450.541.141.430.760.830.710.610.600.660.570.590.750.660.770.750.740.790.680.710.700.880.790.900.610.710.670.840.730.750.680.580.720.970.550.420.570.700.640.690.671.160.630.740.670.650.570.590.620.490.700.770.850.620.530.570.730.720.700.640.680.800.580.770.650.720.850.573.800.67
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholineME8956930.490.611.342.060.600.710.841.210.650.350.810.541.290.820.852.650.940.720.880.720.790.871.110.580.660.461.030.930.641.060.770.561.840.991.641.421.141.011.471.160.691.040.961.440.520.440.890.850.630.730.930.760.780.930.780.750.900.592.360.890.550.700.780.640.760.730.460.581.471.100.770.892.010.891.360.880.480.960.570.530.871.360.861.160.750.602.220.760.770.960.540.530.951.170.650.861.781.230.920.580.701.000.720.760.950.640.600.770.700.810.910.730.590.900.631.380.830.491.200.900.551.510.970.421.051.841.380.891.101.990.831.281.060.791.701.600.991.600.781.170.730.690.530.781.411.451.760.92
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)ME8958810.690.731.291.750.710.710.821.440.820.520.950.882.130.951.313.031.020.860.970.741.211.071.140.760.810.601.340.960.610.870.661.011.981.092.371.371.281.342.191.610.891.420.941.320.480.660.971.090.711.131.081.010.861.040.930.961.251.143.771.130.590.991.200.860.990.910.590.851.541.160.740.841.761.041.160.710.581.340.740.800.941.811.421.651.150.752.360.900.750.880.640.691.081.270.841.092.321.100.890.710.940.830.900.901.030.800.861.200.851.001.050.680.870.990.811.070.950.910.800.970.481.130.800.651.081.231.311.461.222.020.831.161.011.061.221.090.751.421.551.221.081.261.160.541.051.430.740.79
PE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)ME8958800.670.780.661.021.040.711.171.820.880.370.821.302.150.951.662.281.571.140.591.071.241.291.200.820.880.901.310.910.441.120.681.671.130.632.481.342.041.440.990.840.801.430.520.620.721.301.360.930.981.640.701.210.841.150.520.910.891.313.310.710.480.982.771.070.951.530.530.900.740.680.790.561.701.450.831.470.551.211.080.980.821.232.442.921.120.451.040.900.841.630.590.630.731.050.971.212.451.270.980.670.930.700.810.951.000.640.560.990.490.921.730.600.700.861.980.500.981.541.490.530.600.530.590.371.000.971.260.621.891.221.291.350.960.400.580.881.260.640.420.871.430.570.661.431.070.780.911.11
1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / 1alpha,23-dihydroxy-24,25,26,27-tetranorcholecalciferolME8957050.750.781.031.290.871.381.011.420.990.631.010.971.460.951.291.701.430.950.791.041.221.071.310.930.700.941.331.020.561.010.871.551.071.012.011.441.481.421.030.980.801.060.861.300.691.061.281.260.741.510.851.300.740.970.920.911.271.181.410.750.861.301.271.031.261.330.590.970.740.700.780.771.431.120.901.090.601.201.201.151.101.582.052.021.200.601.390.730.921.280.560.841.131.310.981.141.551.030.910.740.851.280.930.851.020.710.831.030.730.911.600.720.851.031.270.690.931.431.090.360.670.650.870.510.941.341.361.161.680.930.721.151.010.841.261.031.290.690.560.531.760.820.941.231.002.010.921.16
PE(0:0/20:4(5Z,8Z,11Z,14Z))ME8958610.010.810.911.291.110.670.981.461.100.601.021.081.600.981.171.791.451.270.781.041.311.211.320.780.640.841.181.080.601.110.921.221.200.882.081.561.551.310.961.230.961.270.951.050.671.111.041.120.771.370.781.160.841.060.810.951.261.121.650.860.911.221.620.971.361.430.791.020.910.710.820.831.491.240.940.880.671.171.041.220.941.691.952.361.060.681.110.830.911.140.480.830.931.210.931.101.891.100.850.801.050.670.840.761.110.690.740.920.691.121.430.740.811.021.320.870.881.561.440.350.930.640.940.491.121.491.331.151.521.020.741.420.990.780.661.221.250.740.630.771.530.740.901.321.131.160.951.24
Acetyl-β-methylcholineME8957431.451.081.441.051.151.390.761.111.121.101.440.780.971.140.781.331.131.722.060.941.000.890.960.800.700.781.351.161.320.951.441.301.461.180.770.750.790.932.652.132.350.931.061.300.871.040.600.710.730.810.540.830.561.141.492.630.890.811.121.480.921.111.170.790.871.671.081.440.801.201.401.270.721.601.951.791.011.200.881.031.080.851.251.111.171.170.850.941.161.480.920.810.760.960.880.830.821.031.270.911.061.181.770.591.021.761.761.211.152.361.261.350.891.271.251.100.630.630.510.791.420.732.101.080.570.520.720.860.560.730.820.900.661.060.630.640.560.700.811.321.630.641.141.441.340.570.670.84
5-Hydroxyindole-3-acetic acidME8957351.270.831.140.200.311.061.050.651.180.741.080.381.101.831.112.061.271.011.261.440.861.181.021.180.970.671.400.690.931.680.921.790.820.741.170.261.180.861.510.982.781.171.200.941.771.221.011.481.431.243.591.431.310.701.911.561.170.660.911.220.010.831.140.610.890.960.900.691.071.050.910.691.580.891.011.452.121.561.461.001.281.060.980.880.890.721.160.880.691.461.310.970.860.621.261.000.730.680.961.030.861.731.082.411.031.081.110.830.620.891.330.640.081.071.061.310.610.940.821.410.871.251.111.131.331.050.590.560.560.880.700.640.731.211.081.211.410.870.980.971.101.030.742.021.320.780.820.88
Acetyl-L-carnitineME8957420.731.260.661.311.031.650.831.241.220.961.831.612.001.251.700.691.180.731.350.570.610.660.770.911.521.241.191.371.450.630.851.531.180.951.591.221.221.540.950.800.690.821.571.201.031.071.080.871.060.571.201.140.641.331.511.151.921.500.661.000.811.791.281.641.701.220.661.110.940.811.050.890.721.051.070.580.881.160.970.860.901.290.811.220.861.911.191.231.070.681.080.802.061.240.941.531.210.990.910.911.052.001.100.880.910.881.160.750.920.851.080.822.080.990.711.020.952.190.791.321.270.710.920.820.950.811.861.080.911.431.461.920.870.720.921.100.560.891.040.811.260.730.690.750.871.000.670.87
Malyngamide HME8958240.630.881.241.020.331.270.961.191.260.491.621.331.711.611.421.820.841.121.321.411.381.291.061.251.380.940.261.671.261.190.981.651.871.040.510.921.721.160.970.850.390.410.891.151.531.041.310.701.641.491.240.821.311.271.401.651.660.450.471.031.281.201.081.071.751.651.361.511.221.171.070.980.940.640.991.071.301.261.460.821.451.191.211.721.171.521.941.401.070.850.891.161.011.071.110.261.391.431.790.941.361.271.581.090.880.870.911.701.571.001.091.060.901.141.131.441.561.330.671.180.870.870.741.050.721.050.611.181.231.030.950.371.411.391.421.541.261.711.881.531.631.000.691.061.751.570.170.39
C16 Sphingosine-1-phosphateME8957531.251.020.730.451.161.021.490.780.760.520.850.760.841.310.760.850.601.000.831.530.781.140.670.890.750.710.521.491.181.350.720.890.930.661.070.791.130.771.410.821.981.841.360.970.900.511.080.671.070.501.491.301.210.501.701.490.950.521.441.430.640.571.440.981.261.441.250.850.680.691.121.060.951.251.020.691.240.791.420.700.870.791.011.440.670.900.990.710.380.871.090.541.231.511.220.831.010.860.711.641.291.290.620.680.401.161.051.621.131.590.731.030.550.441.411.270.710.370.390.721.120.961.531.210.473.001.120.680.870.670.710.820.640.850.450.850.810.480.800.880.990.620.921.060.870.941.610.68
(Z)-hexadec-9-enenitrileME8956901.060.970.730.441.081.031.530.790.700.510.950.760.901.440.770.810.631.010.891.550.731.150.630.800.570.790.441.571.031.320.610.890.970.531.120.811.040.701.340.851.971.881.521.070.880.461.140.580.950.551.491.491.150.441.491.490.980.441.411.360.630.501.300.981.251.401.111.000.720.631.211.170.861.261.010.651.310.831.370.330.840.801.001.500.610.730.900.620.430.861.180.491.191.491.290.890.920.740.631.611.131.060.600.590.381.141.091.551.041.480.740.960.530.351.441.400.620.310.390.411.020.971.571.190.473.011.070.550.830.730.860.750.690.770.430.780.720.410.730.900.810.650.911.100.940.721.780.63
N-palmitoyl threonineME8958401.000.791.150.470.991.011.111.661.391.611.441.070.630.500.601.350.501.230.921.140.471.601.261.391.751.120.541.020.341.561.720.971.031.440.360.850.710.971.481.351.421.490.591.271.181.201.190.450.551.411.161.281.341.251.281.121.421.341.260.451.181.151.220.771.111.421.211.070.621.351.631.351.101.390.701.761.160.921.151.131.360.430.460.580.231.310.890.410.851.051.260.270.561.040.230.890.820.771.150.890.381.171.151.200.741.240.950.500.810.850.900.331.271.160.971.110.980.751.181.160.520.861.120.731.231.151.421.011.291.061.321.041.140.210.471.190.301.240.570.971.161.090.790.481.461.041.161.64
2,4,6-Trideoxy-2,4-bis[(Z)-(1-hydroxyethylidene)amino]-beta-L-gulopyranoseME8957131.121.151.390.521.211.081.430.881.590.811.481.390.891.781.241.710.951.441.081.500.501.170.840.731.221.840.991.861.021.800.911.470.940.881.071.151.590.862.371.130.700.680.890.711.050.371.141.191.241.002.181.420.890.641.791.280.730.540.831.791.041.061.261.250.811.090.640.521.000.670.790.882.301.091.471.241.821.040.880.570.470.741.761.051.430.720.890.830.581.511.021.141.291.371.381.330.950.420.821.211.241.500.730.920.961.101.020.840.500.691.280.701.370.590.640.791.401.010.750.991.121.760.820.692.110.921.611.180.502.061.050.440.550.850.671.571.110.771.241.061.051.060.851.561.200.500.661.53
ProlineME8958860.810.661.120.991.430.860.770.950.790.650.900.781.081.181.771.380.751.630.912.291.631.240.950.820.811.160.700.891.072.380.941.040.750.661.541.040.700.781.340.991.071.060.680.700.600.711.701.321.051.571.130.741.090.860.810.930.951.051.021.091.151.891.421.710.720.770.740.733.320.790.930.971.510.690.710.821.391.440.860.940.861.111.181.700.940.991.240.941.061.720.810.860.790.580.970.880.850.580.571.430.990.740.960.730.751.020.750.920.840.621.250.810.930.761.150.700.781.550.910.661.060.720.820.741.180.771.380.541.241.510.980.831.380.761.021.431.340.690.490.871.320.550.591.601.210.521.151.03
3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-5-oxohexanamide2ME8957220.840.660.910.651.120.991.220.830.650.351.961.010.861.250.691.420.721.160.921.230.441.451.100.740.650.870.961.511.452.321.121.390.630.712.730.511.410.981.551.032.312.271.280.981.630.641.100.440.940.481.491.050.870.682.111.521.190.990.710.931.090.761.271.101.230.640.590.731.900.531.071.092.170.601.420.961.760.960.960.650.940.911.410.990.880.630.801.850.751.251.321.011.220.750.180.640.700.520.661.370.721.670.780.610.621.341.411.130.721.120.730.851.050.690.990.911.601.071.091.101.381.181.000.861.600.731.060.520.610.890.661.030.650.881.432.041.060.660.700.711.290.630.571.570.930.821.090.87
PropionylcarnitineME8958871.130.700.770.650.811.261.710.950.560.371.741.550.990.890.221.270.651.521.540.890.491.181.300.910.670.751.791.210.971.521.131.071.201.321.640.631.620.631.791.661.691.411.430.781.540.650.970.600.910.841.851.660.780.771.741.420.820.980.911.181.270.621.400.751.000.830.821.231.340.780.920.692.040.991.351.151.210.690.930.631.881.510.970.921.210.580.971.490.971.281.331.161.110.801.130.490.580.700.901.320.941.240.890.980.811.321.261.190.801.250.970.740.851.480.820.800.841.171.420.551.021.111.260.742.240.750.990.480.600.831.010.830.870.641.371.001.370.530.730.691.240.860.541.450.910.821.001.10
Tetrahydrocortisone2ME8959020.951.371.050.900.881.070.890.950.620.791.830.680.791.071.161.701.221.371.491.131.091.391.481.091.241.681.261.261.241.161.251.400.720.890.201.061.671.310.861.021.181.211.511.611.421.000.340.360.870.771.211.150.880.851.611.491.511.030.790.801.012.480.690.781.111.391.021.050.580.800.961.021.221.021.251.131.341.190.851.061.331.160.802.271.120.510.641.621.410.821.230.801.231.271.251.050.820.771.110.870.941.241.001.191.240.670.640.871.261.340.991.011.111.291.821.141.030.470.901.471.231.041.161.440.161.271.571.420.761.070.861.080.821.210.891.161.210.911.771.241.041.061.111.071.071.010.621.03
235BBF3K97ME8957150.970.870.930.630.610.880.970.680.861.151.310.790.681.170.501.040.701.051.060.900.770.840.930.820.630.781.300.900.671.130.970.790.680.721.100.701.370.761.761.491.421.561.070.921.010.730.980.930.901.280.671.090.910.881.431.450.770.520.480.830.780.851.111.081.070.980.810.860.690.700.750.552.060.661.401.500.700.640.820.541.300.891.402.071.330.770.921.180.781.201.110.951.471.311.140.681.140.900.880.821.011.401.140.710.891.311.071.411.121.261.030.720.641.151.460.880.981.361.090.911.000.951.381.641.821.961.831.770.981.530.981.280.881.850.881.011.291.030.991.181.691.641.911.971.441.210.950.91
Uric acidME8959120.950.811.261.231.091.100.860.781.070.741.671.401.111.392.281.240.981.431.230.471.100.750.521.040.960.981.221.691.561.241.111.051.120.720.971.131.020.941.291.131.560.890.780.711.291.341.331.161.401.380.940.861.621.311.481.411.180.961.131.261.321.551.000.840.910.890.951.150.650.611.191.091.360.761.030.971.261.260.960.701.140.981.270.901.180.910.910.940.961.061.260.781.761.121.211.201.021.151.011.090.941.290.810.680.871.141.011.221.010.851.071.511.621.150.941.231.381.721.101.070.631.211.051.001.290.801.291.000.740.920.620.860.620.921.061.330.951.111.030.821.020.900.751.211.040.770.780.95
DecanoylcarnitineME8957730.761.121.210.850.080.980.770.841.170.771.031.360.961.400.960.820.761.010.900.900.861.050.820.920.761.111.091.030.880.910.641.311.020.990.891.151.541.041.010.730.781.351.060.521.120.970.980.880.911.161.090.861.081.170.740.741.520.941.160.760.481.001.441.231.331.231.160.710.741.041.151.011.131.021.271.180.980.971.020.841.311.301.131.131.131.251.461.520.650.841.471.251.301.470.990.981.070.951.370.961.521.121.071.190.810.970.821.480.971.061.751.280.750.481.291.111.111.020.710.031.040.940.840.860.881.191.751.091.111.090.671.141.110.880.930.910.561.161.300.972.040.771.451.151.031.001.120.89
N-(2-Hydroxyethyl)-9-octadecenamideME8958270.691.320.791.341.551.320.800.741.400.801.171.331.171.801.280.890.911.180.930.660.940.880.850.960.860.910.681.241.180.920.971.511.031.011.091.321.501.101.180.830.962.191.020.951.270.960.960.860.930.871.411.041.001.401.271.141.440.970.700.960.901.121.191.161.521.251.081.540.830.981.071.051.211.221.240.931.071.170.570.701.211.051.170.841.111.221.740.910.780.751.250.951.301.740.931.100.971.091.031.091.331.431.410.941.030.941.140.971.131.140.871.310.910.591.021.071.130.860.671.041.011.070.840.790.861.221.311.240.981.180.730.921.210.691.000.880.601.291.680.820.980.731.080.870.741.270.910.58
NSC 622050ME8958521.121.111.201.031.981.841.150.991.541.011.081.541.281.561.270.781.191.231.240.970.991.271.030.880.951.030.881.221.070.880.841.271.331.121.041.021.541.321.150.911.041.240.820.750.840.740.900.641.241.121.361.071.030.991.301.231.260.950.751.081.020.981.190.921.191.051.651.600.810.911.201.171.180.890.980.781.461.190.890.861.401.431.550.880.950.921.921.020.930.991.100.951.281.180.840.950.990.951.320.931.071.301.051.141.041.111.181.211.150.920.991.060.840.830.861.250.950.830.731.020.820.841.050.950.831.090.861.160.890.900.801.001.050.730.710.980.870.871.061.291.041.310.920.880.940.970.850.75
3-MethylsulfoleneME8957250.870.650.891.001.240.800.970.720.890.491.051.040.831.230.911.490.841.070.901.591.281.030.741.410.790.890.860.930.701.741.010.770.930.600.990.980.830.911.181.531.160.961.171.000.930.861.030.761.421.150.040.681.811.190.901.061.061.081.581.301.060.841.470.900.920.660.951.381.511.011.311.300.960.890.661.081.061.280.970.950.991.321.521.301.220.821.171.181.531.311.171.170.670.650.890.921.130.840.900.930.900.780.710.991.051.151.040.800.950.880.840.890.961.020.921.111.120.971.350.720.701.300.971.061.271.161.180.771.130.901.621.031.301.101.421.611.100.961.180.890.950.850.791.061.090.931.141.01
4-HydroxybenzaldehydeME8957311.170.771.270.731.911.131.260.720.870.371.201.180.741.531.001.980.850.900.922.101.121.590.771.320.980.891.001.361.102.361.000.661.260.870.740.651.390.851.051.081.591.241.080.891.010.800.971.021.611.301.260.731.710.790.930.971.010.721.200.991.191.611.430.831.000.771.201.461.340.841.401.091.450.880.841.311.481.090.920.801.080.831.441.221.240.751.471.220.851.711.300.970.820.781.190.681.020.851.121.200.900.980.800.990.901.411.070.940.810.970.920.780.720.901.020.880.970.570.760.410.791.020.900.761.380.701.100.771.030.691.290.810.730.981.001.380.960.910.891.080.970.530.631.330.720.751.041.02
N-BenzylformamideME8958331.140.741.230.791.631.141.220.740.890.381.131.350.711.510.941.920.781.050.942.011.081.570.821.330.940.870.971.631.202.180.980.841.190.860.660.611.360.861.021.041.641.131.010.791.050.741.000.911.591.291.210.721.630.730.890.930.960.691.221.001.221.511.400.830.870.791.171.421.410.851.331.041.450.880.801.221.411.090.880.801.120.881.401.151.240.761.441.430.861.581.270.990.840.761.250.700.960.981.051.150.821.020.820.930.861.471.060.900.780.930.930.850.660.920.980.911.010.770.730.710.901.000.870.801.380.721.130.821.190.681.250.790.780.940.991.420.990.890.891.050.910.590.621.220.770.781.091.00
CreatinineME8957661.220.901.020.801.030.880.730.650.820.951.040.850.860.980.851.010.941.170.991.211.000.910.820.860.930.660.881.050.871.140.951.090.830.641.130.911.071.031.711.271.020.931.051.111.191.030.950.861.621.310.960.701.361.271.171.251.100.840.971.371.120.891.211.381.171.140.880.730.951.181.051.021.560.850.930.990.870.891.130.991.080.971.221.301.211.110.921.121.000.911.021.200.810.970.800.991.101.110.821.040.801.150.930.830.970.990.841.171.140.770.870.700.770.840.860.941.271.801.391.190.671.250.881.581.401.091.110.980.701.231.050.871.081.201.501.471.571.791.241.220.981.131.010.960.920.951.090.82
QuinolineME8958900.860.861.070.551.021.371.310.931.230.860.880.831.021.260.882.241.010.400.891.361.341.521.421.120.981.161.420.980.911.291.031.021.100.820.830.691.300.791.140.880.810.641.140.891.250.951.041.251.611.301.041.061.431.131.351.250.980.611.201.030.940.851.020.761.061.251.100.941.021.311.180.941.640.751.151.491.170.961.061.141.220.981.361.681.300.571.321.331.011.401.211.140.950.821.060.900.941.060.811.081.001.180.941.071.201.131.151.010.991.310.980.840.521.251.171.080.680.951.101.110.861.161.081.201.390.931.360.891.110.961.011.001.001.151.291.281.231.321.051.211.021.190.941.211.361.000.790.76
IndoleME8957980.850.690.960.640.701.241.120.750.980.720.950.970.851.170.732.300.850.701.051.181.171.361.251.040.851.101.261.080.881.511.060.830.960.750.730.731.180.901.001.080.950.731.261.091.230.820.931.111.451.240.930.971.491.011.121.160.930.681.231.101.050.911.200.881.221.001.021.081.191.121.060.851.510.881.161.501.261.031.180.981.251.141.501.811.440.501.421.250.991.461.181.010.960.891.150.940.961.000.941.141.041.240.971.051.071.181.220.920.911.191.060.730.540.981.001.160.641.110.940.981.011.301.111.141.720.941.160.821.011.001.010.991.111.131.211.441.201.381.111.260.971.260.951.391.320.980.880.89
DL-TryptophanME8957800.840.730.960.641.101.261.150.781.020.740.930.930.841.140.732.220.860.480.971.211.191.421.261.080.861.111.301.060.871.491.090.860.990.760.750.731.240.851.051.040.940.741.241.051.200.820.971.101.471.220.940.951.431.001.121.130.910.661.171.081.040.911.180.861.201.061.041.071.151.141.040.871.470.861.131.531.210.981.151.021.241.101.491.761.380.521.381.270.991.471.191.030.980.871.180.950.931.020.931.141.051.230.961.071.131.181.200.940.941.201.090.740.541.001.011.140.631.070.951.000.961.301.131.171.730.931.170.831.031.001.011.001.101.141.261.441.241.381.091.301.011.270.961.391.341.050.880.87
4-IndolecarbaldehydeME8957320.840.700.950.631.101.261.150.771.010.730.960.950.831.180.722.290.840.460.981.201.161.401.241.060.851.091.291.080.851.541.090.840.980.750.740.721.190.861.021.040.960.731.281.071.200.820.951.111.481.200.920.961.481.001.151.140.930.671.201.121.070.911.190.881.191.001.021.061.171.131.040.861.490.861.161.501.231.021.170.991.221.121.481.801.430.501.391.250.991.461.181.010.960.891.190.930.911.010.941.151.021.230.951.041.071.171.190.920.911.191.090.730.530.991.001.180.621.100.940.990.941.301.101.151.730.931.160.831.000.991.020.991.101.131.211.471.351.371.101.251.001.280.961.411.341.040.890.87
6-MethylquinolineME8957370.840.680.970.601.131.251.170.751.010.720.930.920.841.190.742.360.840.430.961.191.171.421.271.080.841.091.291.050.861.581.110.820.960.730.710.711.210.871.011.060.950.721.291.081.220.800.951.111.491.230.920.951.481.011.121.170.920.651.221.131.070.911.210.881.201.021.011.091.191.161.040.851.540.891.171.511.261.031.180.961.241.091.511.831.460.491.411.261.001.521.180.990.980.871.170.930.910.990.931.131.041.240.981.051.071.191.220.930.911.191.060.700.510.991.001.160.621.070.910.990.901.321.111.161.790.931.160.821.010.991.010.991.101.121.231.461.241.381.111.270.981.300.941.411.341.000.870.88
Cyclo-(L-Phe-L-Val)ME8957671.400.961.030.380.671.151.280.961.140.980.930.600.891.280.931.440.980.780.931.411.111.521.111.251.141.261.500.870.791.481.101.320.940.871.250.441.210.871.151.211.200.870.411.001.120.801.001.032.011.171.441.001.230.901.281.311.150.901.461.300.970.911.190.941.021.141.070.880.261.210.850.711.350.951.151.161.221.041.281.091.241.201.791.291.350.761.171.171.221.321.220.991.341.291.321.051.000.861.211.481.291.411.161.300.271.521.321.460.880.821.211.100.431.041.101.331.101.160.681.380.861.471.231.201.391.030.730.730.951.321.220.881.351.231.361.451.301.201.291.390.501.261.011.391.261.180.591.12
L-PhenylalanineME8958071.240.901.220.480.791.071.280.791.130.770.940.510.821.300.801.480.930.840.871.420.931.541.161.101.040.951.190.970.781.671.071.070.870.761.090.541.240.831.371.151.270.900.940.821.140.731.031.131.391.101.721.141.210.821.241.201.150.831.711.120.940.821.070.850.001.101.140.870.831.150.820.731.440.841.091.361.280.941.231.101.181.041.581.281.210.671.021.161.081.251.270.001.111.111.190.900.860.711.121.271.031.120.881.160.681.501.321.190.000.790.920.980.470.900.961.201.020.950.781.110.831.261.081.041.531.050.760.690.841.120.980.841.041.091.081.391.310.971.231.190.900.950.861.321.211.061.171.01
Naphthalen-2-amineME8958511.180.881.230.510.621.111.270.741.180.750.940.790.831.250.721.540.920.840.821.460.941.491.171.091.020.931.170.990.771.701.141.060.890.781.120.561.280.861.261.171.330.970.980.821.200.741.051.141.391.061.791.061.230.781.281.211.140.851.761.190.970.781.150.811.051.071.190.870.851.140.280.721.390.871.061.241.290.931.251.041.221.051.591.341.240.651.021.121.101.211.290.881.101.091.190.870.840.711.171.261.021.090.841.180.671.501.311.190.790.750.930.970.330.890.951.170.980.960.291.110.801.251.041.001.481.010.750.670.801.061.020.831.041.031.091.351.281.011.161.210.870.960.831.271.191.031.111.04
3-VinylanilineME8957271.200.881.190.480.791.051.270.771.110.750.930.770.811.280.771.440.930.830.871.400.931.491.151.071.020.941.180.980.771.661.051.060.860.751.080.541.230.821.341.141.280.900.940.821.130.721.021.101.371.081.691.141.210.811.221.201.150.821.661.110.940.821.060.841.011.051.140.860.831.140.800.421.390.821.091.321.290.921.211.081.151.031.561.271.190.661.021.151.061.231.260.901.101.111.190.880.850.701.121.261.021.110.881.140.661.481.301.190.820.770.900.970.160.910.951.191.000.930.761.090.811.241.051.021.511.030.740.680.821.100.950.831.051.061.061.351.280.951.211.190.880.940.841.311.191.041.151.00
Trans-Non-2-en-(4.6.8)-triyn-1-olME8959061.230.931.210.430.731.061.280.781.090.790.870.500.811.330.801.490.920.790.831.400.861.531.161.071.110.961.170.910.741.711.061.070.840.721.050.391.310.831.451.131.270.850.930.791.140.701.031.081.391.131.761.181.220.811.201.221.190.821.671.110.880.781.110.830.981.071.180.800.771.180.740.701.440.841.111.401.300.921.261.091.201.051.571.281.240.631.011.101.081.291.290.871.101.161.250.890.820.681.111.331.011.140.861.170.611.491.351.210.820.720.921.020.420.920.901.201.030.910.731.050.751.291.021.011.490.990.440.650.811.121.000.811.031.091.081.391.330.961.201.230.840.950.821.371.191.061.121.01
L-IsoleucineME8958040.920.740.910.831.341.261.170.801.090.871.351.150.831.561.581.270.881.170.841.270.841.641.120.931.151.441.041.240.941.180.870.880.750.661.410.911.230.731.481.060.950.780.860.731.010.581.011.181.191.071.140.901.260.871.471.121.170.751.131.081.111.021.260.870.941.110.780.810.990.781.221.051.830.731.031.481.231.030.860.940.870.911.721.121.530.781.051.450.851.391.230.991.120.791.171.000.810.650.961.280.801.250.730.800.831.121.020.990.790.820.960.891.060.820.840.980.721.210.990.821.491.380.970.801.500.991.210.870.840.900.930.850.720.860.881.201.160.830.780.970.820.960.681.381.140.771.171.02
L-LysineME8958051.341.011.170.961.351.071.340.951.200.881.511.250.971.391.021.271.001.551.381.531.201.111.141.081.001.681.311.280.851.231.070.991.080.971.031.050.970.861.321.871.270.921.051.091.140.811.291.011.180.911.191.111.181.171.001.011.161.161.411.301.301.001.250.680.850.831.081.251.030.751.161.141.121.301.130.991.311.421.020.820.941.021.370.961.181.201.081.191.021.221.191.031.000.961.271.280.800.741.370.880.920.960.971.141.031.311.301.130.961.101.020.901.181.180.910.850.960.721.070.780.931.161.030.781.131.271.261.171.031.051.110.930.700.791.101.100.970.861.070.811.110.830.801.131.130.970.731.03
35-aminobacteriohopane-32,33,34-triolME8957281.070.821.031.921.890.840.960.980.570.900.941.640.680.881.110.840.931.341.401.091.041.001.010.720.991.031.011.041.170.771.260.840.911.030.961.720.601.500.771.151.491.311.431.341.230.871.041.080.741.190.941.121.221.120.790.971.111.400.771.181.541.121.111.442.090.820.761.461.511.101.201.221.131.361.261.171.161.581.051.131.000.890.840.750.650.920.961.050.971.100.621.170.610.930.681.030.720.750.710.800.960.761.040.921.100.970.920.401.001.080.800.901.101.221.110.751.080.691.201.050.960.960.881.031.180.851.090.680.951.010.850.990.940.890.790.960.940.801.060.930.821.000.610.961.050.960.931.55
L-(+)-ArginineME8958021.771.511.090.810.810.791.301.471.351.250.971.180.681.050.941.551.400.631.111.281.570.961.541.270.991.191.251.291.100.931.391.231.171.190.911.961.041.120.881.451.080.810.891.320.771.231.611.570.891.110.761.051.391.350.560.641.431.871.171.471.161.281.251.030.990.881.121.701.641.171.671.460.691.340.861.181.261.511.461.390.761.161.361.181.331.011.201.111.660.791.071.500.800.451.180.931.150.901.070.750.800.870.870.850.891.121.270.920.751.251.160.381.131.521.160.711.310.921.260.810.780.730.690.920.860.980.971.171.171.411.460.960.490.981.291.021.330.951.171.161.001.131.291.121.281.270.421.68
PE(O-16:0/15:0)ME8958821.081.561.291.810.861.231.211.291.291.380.701.021.421.160.991.361.570.950.991.350.921.331.391.301.370.610.880.870.951.131.301.421.391.760.560.881.171.061.101.071.011.010.870.991.131.221.431.120.711.231.101.311.261.110.850.871.251.390.941.371.271.150.931.241.001.581.041.341.371.330.891.100.711.281.321.700.900.701.181.300.921.100.631.260.901.171.170.831.030.871.061.711.101.210.930.880.951.071.351.471.391.260.931.101.481.001.011.141.341.170.931.130.991.190.901.330.951.131.041.110.410.911.210.890.991.130.951.071.111.231.301.321.030.911.160.821.281.581.121.071.191.011.251.261.641.340.341.51
2R-aminoheptanoic acid2ME8957170.910.831.080.891.020.871.171.150.930.941.010.770.981.010.741.261.020.770.970.890.931.341.491.101.010.480.681.111.011.111.061.280.830.770.831.241.171.211.091.370.910.881.231.081.271.330.911.041.501.071.341.291.161.450.971.131.121.651.831.291.121.151.011.061.231.190.811.131.121.141.110.930.970.971.171.130.951.071.791.421.151.530.711.230.801.341.481.171.291.121.141.040.840.780.740.980.941.021.131.091.000.851.221.221.170.900.780.821.271.210.991.160.831.010.660.990.811.281.771.010.921.271.071.141.371.421.220.610.681.071.731.400.680.821.651.361.501.160.840.911.300.860.721.161.030.660.771.02
DL-CarnitineME8957791.040.791.310.880.931.411.261.240.940.831.181.161.240.810.321.170.910.811.340.840.841.111.111.140.990.891.351.020.881.211.331.560.940.870.760.981.040.960.871.291.010.701.060.980.981.031.011.070.990.811.270.911.361.261.031.101.110.952.061.241.261.071.251.171.211.100.921.571.331.071.211.060.961.231.351.131.171.051.120.961.491.320.801.250.870.891.411.191.400.951.241.180.990.981.271.181.151.231.011.050.901.021.021.101.041.321.161.121.101.250.830.881.121.320.840.641.030.991.191.090.691.081.161.051.021.161.310.590.790.911.221.340.800.871.310.810.990.760.840.901.400.850.861.081.240.860.871.07
(S)-CarnitineME8956891.100.951.230.941.091.611.421.391.000.801.431.251.430.730.331.141.011.051.910.740.851.231.271.321.061.131.251.351.351.321.291.350.860.961.341.001.131.111.011.521.531.301.171.341.271.071.050.940.950.781.241.341.161.331.471.561.061.082.041.191.131.141.251.011.340.901.001.431.540.831.511.021.141.231.691.241.241.030.900.851.371.120.731.000.801.191.331.331.410.951.101.030.850.901.250.850.971.241.010.900.871.021.041.220.941.131.280.900.781.070.880.841.371.330.710.611.041.011.351.050.851.211.320.821.490.801.370.620.990.780.991.550.720.831.190.811.010.590.790.791.600.740.650.941.050.740.611.14
3-UreidoisobutyrateME8957261.151.161.151.400.960.881.101.281.120.801.150.861.411.011.221.091.451.451.321.161.220.800.921.190.910.890.901.000.951.311.081.311.001.020.801.170.850.981.261.261.021.011.251.270.971.131.351.231.241.451.040.991.251.221.111.301.301.331.291.210.981.741.331.361.041.051.110.331.121.101.311.320.861.241.061.021.201.901.271.131.281.581.211.421.141.041.520.881.251.351.111.211.040.911.221.421.351.080.981.051.240.800.971.151.051.131.291.021.091.011.371.001.391.021.151.231.161.711.451.011.051.151.030.901.171.331.441.001.281.201.551.041.041.121.441.221.261.261.011.191.230.761.131.141.331.150.241.02
Symmetricdimethyl arginineME8958971.231.241.321.261.161.260.870.891.171.071.061.041.061.181.011.141.491.161.491.121.350.931.161.341.050.881.031.611.670.921.221.641.021.251.001.201.111.481.371.251.341.161.231.421.371.550.860.880.871.061.571.510.991.271.491.551.331.351.381.421.001.191.021.071.211.181.101.301.011.131.231.330.871.311.141.311.061.561.031.161.031.040.851.270.741.260.860.890.990.951.081.111.031.110.951.200.931.061.150.950.981.111.061.181.190.891.041.121.131.220.891.111.231.130.951.031.001.241.031.210.831.021.120.931.351.041.111.101.031.080.991.060.411.250.900.941.071.111.211.171.220.911.131.111.091.310.381.05
2,5-Diaminopentanoic acidME8957140.870.900.961.341.161.410.980.601.200.711.271.091.751.350.961.310.891.951.901.420.661.331.140.900.690.840.641.190.692.421.250.960.781.050.471.001.371.081.081.101.731.881.361.220.650.661.441.270.580.832.052.021.000.881.391.320.810.961.141.161.361.830.710.760.771.170.921.101.421.091.221.360.771.231.611.551.871.321.111.191.100.900.861.280.831.130.920.920.961.301.000.800.811.231.181.570.490.641.130.860.720.870.701.081.101.131.081.141.060.961.141.741.140.770.781.060.580.941.160.580.891.631.450.431.080.790.800.591.111.120.750.650.310.680.800.930.780.770.480.291.170.540.531.190.830.390.971.10
L-Pyroglutamic acidME8958080.881.250.401.530.750.850.151.011.000.921.190.811.701.070.200.841.130.991.100.280.720.920.260.300.210.280.141.120.790.900.811.170.941.120.791.070.960.981.081.220.941.231.151.030.990.881.110.440.851.060.910.861.230.740.861.101.080.981.270.680.811.640.821.091.221.410.790.670.780.871.001.210.680.230.930.511.381.200.990.900.341.390.371.180.890.871.140.741.240.930.791.160.891.031.111.570.730.870.320.960.800.780.790.911.050.321.280.800.990.880.971.251.010.681.150.300.321.261.200.690.290.141.760.601.010.811.180.691.100.991.110.740.860.911.211.201.160.960.930.920.230.640.670.300.270.702.191.18
Linoleyl carnitineME8958120.440.640.480.750.770.930.700.700.710.760.710.972.231.221.230.870.770.991.000.510.381.080.910.900.920.560.471.320.741.520.801.010.831.130.780.751.021.420.760.671.001.930.920.820.790.740.600.460.821.051.140.670.770.760.811.011.480.920.550.691.061.260.770.971.041.480.600.610.720.690.760.720.800.821.030.870.941.190.920.781.771.361.350.680.780.951.150.830.740.571.300.980.791.260.560.801.171.040.970.720.721.140.821.171.070.550.560.941.190.660.852.001.190.500.481.680.610.940.910.830.511.901.100.280.890.541.920.540.720.880.580.500.820.620.950.860.690.940.490.680.860.370.480.620.951.032.210.61
D-Erythro-sphingosine 1-phosphateME8957690.780.810.570.830.990.810.870.590.831.200.790.871.141.160.920.860.740.810.831.140.481.170.840.740.940.870.710.910.931.390.831.060.870.910.971.030.910.931.290.791.341.581.000.771.010.810.780.750.830.791.080.941.110.830.950.980.931.201.461.481.231.251.171.681.181.671.060.880.791.171.061.400.661.320.890.701.391.151.140.840.961.580.921.010.781.510.741.000.810.731.411.300.801.520.991.020.731.180.710.951.001.000.631.021.170.850.860.691.690.760.551.420.820.750.871.220.490.760.730.721.071.401.200.760.761.080.880.631.120.820.690.671.070.900.700.820.901.001.050.650.920.730.690.830.980.741.620.90
(Z)-octadec-11-enenitrileME8956910.720.880.570.780.990.850.740.580.891.270.760.911.041.050.800.730.790.810.731.210.511.260.860.680.870.750.640.940.851.490.800.990.910.791.161.120.810.791.300.861.321.660.960.840.860.870.760.700.810.841.130.851.200.740.940.920.961.251.601.621.291.331.141.801.061.671.090.810.901.231.011.670.581.381.030.761.461.291.090.900.931.680.930.910.811.530.710.990.740.701.471.370.741.571.071.020.671.150.641.000.891.000.590.971.240.850.830.661.560.660.461.520.670.740.841.060.470.760.680.770.941.271.150.720.830.920.030.651.150.740.700.601.260.810.700.810.870.911.070.730.840.690.560.850.880.791.711.00
N,N,N-TrimethyllysineME8958450.870.810.720.720.861.011.800.580.900.452.190.821.001.740.361.650.861.611.281.100.801.370.860.830.610.511.031.551.011.201.041.050.860.941.031.431.520.761.842.261.321.490.840.951.470.921.000.700.680.731.931.250.900.821.871.280.830.920.891.142.531.260.930.791.081.071.041.081.680.921.341.191.290.640.800.811.510.940.850.680.910.810.860.801.110.810.981.140.820.760.850.740.450.720.800.400.660.612.032.371.181.310.850.680.851.070.871.401.191.050.822.540.781.010.763.921.080.651.320.880.621.060.820.941.612.081.350.680.670.841.160.770.500.801.313.081.250.821.361.161.231.111.171.190.940.810.671.02
SundiversifolideME8958960.940.641.060.930.950.850.830.871.050.310.581.240.801.320.881.900.500.750.940.780.561.400.950.950.471.070.941.360.530.850.530.641.390.950.850.630.961.061.590.801.002.551.451.041.111.000.970.550.550.351.260.681.420.800.571.070.610.760.400.750.740.561.210.841.121.040.781.072.531.770.860.591.610.521.411.880.500.741.261.461.410.971.200.880.800.733.001.520.720.640.880.490.880.810.710.491.371.331.291.601.460.520.561.381.000.360.380.780.570.791.141.640.320.411.133.311.010.481.221.300.911.251.391.060.921.441.581.811.071.981.651.471.611.201.532.480.782.141.962.241.990.850.702.551.031.520.761.04
N-(3-hydroxy-dodecanoyl)-homoserine lactone1ME8958281.011.001.000.741.240.800.820.690.570.521.271.171.001.240.930.730.831.251.080.650.700.900.861.191.160.811.121.500.681.500.751.271.330.532.040.751.281.282.980.921.541.701.381.191.221.030.680.660.890.711.020.901.140.441.691.691.111.160.650.891.050.541.240.831.101.111.080.871.672.191.590.691.640.710.980.730.760.820.950.851.240.701.060.650.940.771.081.480.830.851.240.581.251.120.800.540.820.870.621.091.041.130.820.810.700.970.831.700.810.810.970.660.680.640.902.031.420.763.001.290.811.371.240.901.230.551.571.170.720.751.231.171.691.641.072.090.870.941.231.782.181.120.821.311.170.860.820.97
(−)-phenylethyl-8-O-α-L-rhamnopyranosideME8956801.180.691.641.040.510.791.270.750.860.301.151.080.471.181.181.450.361.461.000.800.712.061.480.660.440.650.931.330.661.350.471.340.790.671.681.191.351.321.811.551.541.141.141.190.931.160.570.390.650.891.721.070.960.641.311.690.770.430.820.631.190.350.670.591.010.910.630.591.660.710.930.631.480.301.371.730.740.981.371.162.451.291.070.760.610.471.380.810.720.930.780.411.340.980.910.580.930.751.701.591.300.570.391.411.261.000.900.820.561.211.131.340.390.751.561.211.480.722.421.030.461.191.401.431.010.831.851.001.071.070.651.040.941.011.121.251.111.580.871.711.651.370.711.871.091.141.061.07
Waol BME8959131.230.641.551.271.160.681.160.860.940.351.271.420.881.201.332.720.340.991.251.080.712.961.260.700.681.131.691.650.941.820.600.981.060.572.041.180.860.831.730.961.711.761.230.851.031.480.960.530.820.612.030.801.680.611.392.400.790.910.740.751.250.511.340.752.121.480.720.842.270.770.780.391.830.451.101.320.781.120.871.221.821.361.501.310.590.471.131.840.781.040.740.421.320.981.070.511.400.711.031.951.330.910.641.451.430.880.740.880.401.200.851.280.600.972.081.610.781.062.020.841.161.021.051.351.320.911.481.281.230.920.771.380.830.941.071.851.161.501.381.732.651.200.603.470.871.210.171.14
4,4^-dimethoxy[1,1^-biphenyl]-2-carbonitrileME8957331.010.961.721.290.741.031.281.422.692.311.760.500.623.621.740.652.101.351.991.381.301.851.860.900.720.600.531.101.122.262.211.850.490.450.550.381.291.130.740.491.210.421.371.011.401.250.380.370.680.620.480.991.661.611.721.980.920.820.790.740.910.750.630.411.270.990.740.970.570.441.141.080.891.561.841.272.242.242.041.980.820.820.530.710.681.301.380.841.122.051.211.171.471.351.991.670.630.631.150.941.171.081.131.301.011.982.210.810.771.851.850.871.720.580.660.400.740.501.110.230.641.191.350.530.721.180.470.720.770.470.180.870.120.610.470.671.180.500.200.232.040.451.181.071.040.320.740.61
CytosineME8957680.380.831.140.500.891.050.641.161.082.340.790.400.841.112.101.401.282.190.941.090.771.511.420.360.580.591.661.081.141.771.453.411.151.102.770.771.331.501.530.571.180.590.440.521.082.180.330.320.951.142.011.161.000.881.030.831.082.000.801.970.570.971.281.421.192.680.920.640.320.670.611.001.871.070.910.891.401.761.241.451.110.860.951.180.831.350.750.521.001.581.660.931.672.212.011.760.620.421.900.970.921.971.260.920.390.851.011.120.880.251.153.711.171.200.510.881.791.050.530.350.141.171.061.331.050.500.460.500.401.320.530.431.271.420.470.810.930.650.851.170.851.151.511.051.680.700.580.80

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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