Clustering data with hclust algorithm for (Study ST001637)

(Analysis AN002675)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53F54F55F56F57F58F59F60F61
Stearoyl ethanolamideME3848670.120.380.050.290.320.520.260.160.620.610.160.200.430.110.080.650.150.370.390.240.540.600.070.260.120.190.400.270.140.940.250.590.140.810.260.650.190.130.100.450.270.300.020.050.120.270.041.830.560.290.230.380.300.461.120.302.310.6840.840.291.16
N-omega-AcetylhistamineME3848240.520.450.550.570.400.510.440.800.290.440.370.510.440.440.450.470.400.490.500.510.460.500.400.540.480.580.630.780.400.470.370.430.390.540.390.390.420.5334.110.560.380.540.470.510.490.450.440.580.510.530.510.500.520.400.440.560.480.490.570.390.51
Palmitamide isomer BME3848330.040.154.040.430.060.108.960.280.050.190.040.370.030.490.100.1122.890.120.030.380.130.370.035.680.030.130.030.220.060.230.060.110.020.530.090.610.031.880.030.900.120.190.130.040.490.040.200.040.220.060.160.070.190.050.260.040.470.070.250.0511.44
n-OctadecylamineME3848220.020.024.000.060.040.0613.110.040.010.040.030.130.070.030.050.0923.680.030.020.030.090.030.024.120.050.140.030.010.010.180.040.020.020.070.160.160.033.000.040.540.080.010.060.030.040.020.050.040.170.040.010.050.010.050.170.010.110.070.060.0513.44
Stearamide isomer BME3848660.020.014.530.020.020.0110.040.020.020.010.010.170.010.020.020.0225.610.020.020.010.030.010.015.770.020.040.010.020.010.090.030.020.010.020.020.100.022.590.011.300.040.010.010.020.020.010.010.020.010.020.010.030.020.010.180.010.030.020.010.0213.82
Cys-ProME3847160.090.150.090.250.190.330.260.340.180.530.1817.670.150.230.130.270.261.230.080.250.090.080.1218.100.200.560.100.080.154.360.120.100.060.090.060.090.100.060.060.060.0614.410.040.140.300.090.150.170.530.070.140.090.060.060.060.220.390.090.080.130.15
N6-IsopentenyladenosineME3847990.500.450.640.190.270.480.440.440.350.660.480.720.510.360.510.480.590.620.460.860.420.560.580.680.330.4429.260.160.330.510.450.360.470.130.280.370.540.470.290.400.610.681.420.470.450.440.820.620.610.690.770.510.150.520.370.680.470.370.110.620.84
Arg-TyrME3846960.160.140.140.770.140.140.610.270.351.420.260.140.240.230.140.290.180.140.200.220.140.430.140.140.910.140.2223.680.210.240.510.160.861.940.300.230.370.240.181.020.720.210.800.270.140.170.210.670.140.800.250.172.790.480.140.210.280.1814.580.190.22
DopamineME3847287.2514.350.496.756.5115.460.160.160.160.190.140.210.140.240.230.210.220.250.170.190.180.170.190.220.210.250.130.270.130.220.180.190.270.160.220.170.230.260.140.190.220.230.570.220.330.200.220.240.460.180.320.190.220.150.270.150.240.170.250.240.27
3-MethoxytyramineME3846529.1810.902.518.769.449.340.020.020.010.010.010.010.020.070.020.010.050.270.010.010.020.010.010.020.210.290.040.290.250.360.020.020.010.020.020.020.040.070.010.080.030.051.110.530.980.420.550.761.190.030.200.010.060.040.150.280.440.040.570.250.35
4-HydroxymandelonitrileME3846639.1912.181.225.848.5811.870.120.170.060.130.110.110.180.220.140.200.160.270.100.090.090.100.080.070.340.360.180.330.270.360.070.090.080.090.040.090.170.190.120.200.100.121.020.450.620.320.450.590.720.110.190.080.150.090.190.220.270.150.390.170.24
9,12-Octadecadiynoic acidME3846762.690.041.080.050.570.491.010.030.700.290.430.540.990.160.790.270.900.1113.310.301.200.450.580.180.230.110.640.090.240.160.960.080.380.140.670.690.720.000.390.650.590.180.641.730.011.420.240.800.2316.500.142.690.400.750.280.460.210.770.100.760.28
His-Pro isomer BME3847640.540.350.450.200.460.643.230.690.300.200.270.551.130.911.080.201.051.570.590.431.850.200.360.436.071.501.080.200.642.100.370.500.520.200.420.460.480.580.580.200.572.540.140.851.901.350.2016.810.550.470.531.220.200.380.350.360.930.360.200.390.69
SumatriptanME3848700.240.280.300.300.280.300.310.350.240.270.290.310.330.280.300.510.250.340.260.360.270.250.290.260.330.220.290.260.320.230.300.270.350.240.250.270.210.330.210.300.290.270.586.704.8911.2614.607.801.330.260.320.270.390.290.390.210.260.310.290.190.30
OctanoylcarnitineME3848260.590.520.340.450.240.641.831.460.780.380.770.553.372.901.790.482.610.980.760.640.530.220.700.410.230.370.190.230.270.210.280.450.160.280.370.270.330.290.300.250.300.340.888.073.536.901.516.371.360.290.310.230.290.200.200.260.570.320.350.540.21
Ala-GlnME3846820.330.330.220.170.330.380.390.300.200.180.420.470.270.210.170.100.280.260.250.200.190.130.230.300.310.220.220.680.260.320.540.470.350.360.430.590.370.290.290.280.400.411.077.918.634.344.039.407.320.460.470.350.350.480.490.380.380.270.530.330.42
CarnosineME3847050.530.530.520.370.510.580.390.350.250.270.400.420.310.280.240.230.330.300.300.290.210.230.290.370.370.320.290.300.330.370.540.530.450.460.480.630.410.370.370.410.410.451.176.496.485.925.916.846.040.460.480.450.450.510.530.430.450.380.390.420.48
Benzyl-valine methyl esterME3847010.605.440.480.450.770.570.550.730.360.320.430.900.360.580.430.591.080.890.481.270.450.310.520.400.331.050.410.460.520.790.4314.550.780.300.870.440.870.710.540.430.340.621.070.310.890.430.520.453.380.321.000.533.020.460.810.370.900.340.630.980.90
Lauryl diethanolamideME3847780.530.450.240.260.180.300.580.260.230.281.770.462.520.810.530.320.389.530.240.400.160.290.404.560.115.340.200.360.395.524.121.790.350.430.520.311.550.300.230.540.530.590.270.340.390.220.190.530.470.142.980.400.180.360.650.264.482.320.300.230.42
Palmitoyl ethanolamideME3848340.600.820.701.030.850.740.850.390.680.870.530.640.540.810.420.610.840.630.400.540.220.580.330.860.580.630.480.820.590.921.180.990.631.081.121.710.620.460.440.871.070.880.330.200.590.290.671.250.650.950.900.781.111.334.301.041.950.7113.661.011.49
Oleamide isomerME3848270.810.732.140.220.320.730.450.373.670.390.130.260.480.250.670.261.690.550.480.901.920.720.312.890.500.2210.361.850.620.690.962.640.760.350.430.120.620.111.390.450.900.800.461.000.250.930.180.570.500.380.440.517.380.420.530.401.600.491.030.600.48
Palmitoyl-rac-glycerolME3846450.230.231.340.500.070.070.410.141.970.600.130.060.110.060.200.090.060.060.080.100.440.450.060.060.100.090.640.680.060.113.212.396.265.101.191.170.440.232.732.450.090.080.370.060.090.070.070.060.062.801.937.196.570.670.421.020.943.133.410.090.12
2-PyridoneME3846460.830.760.710.750.880.670.800.820.890.780.830.880.780.840.730.750.720.790.850.790.820.760.880.660.880.700.840.930.800.670.730.8414.120.740.760.760.820.890.900.790.710.820.750.950.810.810.840.750.750.810.810.770.850.810.770.760.770.910.970.690.76
Phe-ArgME3848370.710.130.342.060.240.260.430.150.330.690.480.260.470.120.250.500.180.120.190.160.230.300.210.211.030.150.314.280.650.132.920.718.551.403.490.610.880.240.841.552.240.290.550.250.130.150.371.250.093.280.595.020.993.750.660.860.311.482.071.120.63
trans-Nicotine-1^-oxide isomer AME3848800.150.910.052.210.104.060.061.670.062.550.090.260.070.290.082.220.141.410.112.390.061.870.123.610.093.020.050.190.095.680.061.770.094.190.092.190.112.430.074.960.120.240.040.101.760.030.150.122.820.151.550.030.940.120.990.032.130.040.600.033.35
trans-Nicotine-1^-oxide isomer BME3848810.100.880.042.310.064.290.041.670.052.590.050.230.030.310.052.140.081.430.072.370.061.980.053.570.062.970.050.140.066.040.051.870.064.170.052.360.082.390.045.000.110.220.060.081.750.040.100.072.910.071.420.030.860.060.930.052.210.030.700.053.30
N-MethylisoleucineME3848180.130.130.881.330.100.160.150.182.013.170.140.100.190.221.031.160.100.110.100.141.391.300.180.110.150.095.354.830.110.110.120.104.094.580.110.130.140.112.042.630.110.110.780.170.204.525.850.130.110.120.102.252.740.100.450.100.192.132.330.120.12
His-Pro isomer AME3847630.530.360.290.230.310.431.060.250.190.230.250.330.320.650.700.120.670.970.360.450.420.250.430.384.906.621.453.593.166.770.740.510.620.520.540.410.520.460.260.420.351.430.920.311.470.310.244.481.320.400.720.480.530.470.690.331.200.362.200.580.90
Oleoyl ethylamideME3848280.420.210.560.160.970.450.760.900.620.261.781.021.110.621.380.221.230.879.430.510.750.250.350.572.111.293.540.485.520.310.440.380.690.120.260.600.560.272.330.520.710.960.870.820.620.490.660.361.410.920.350.960.280.581.101.710.410.580.282.480.21
Arg-ValME3846970.340.160.226.130.160.160.250.200.202.020.230.160.560.160.201.560.200.160.200.180.211.390.250.162.490.230.219.210.240.410.660.271.492.650.210.300.470.200.602.081.110.240.611.230.730.873.433.040.911.560.370.403.001.080.190.390.200.395.040.450.19
Arg-LeuME3846940.240.160.182.790.080.150.140.070.201.770.040.070.680.410.434.060.400.290.400.270.593.160.200.161.580.360.8012.690.650.420.570.300.772.310.280.170.400.290.312.840.490.161.290.200.100.113.221.310.050.960.230.482.200.440.190.400.200.405.140.420.16
Lys-IleME3847840.250.630.223.330.210.100.310.190.481.580.410.460.360.190.463.900.430.360.190.210.863.580.440.251.110.470.2610.530.420.160.680.391.113.000.300.410.250.190.621.970.561.130.790.590.120.474.621.160.290.420.370.412.430.350.170.170.470.595.000.260.20
Gln-AlaME3847381.340.100.392.820.280.140.700.110.393.000.430.271.930.520.772.190.920.431.100.370.662.400.850.091.650.190.855.540.740.211.530.561.412.110.610.630.680.330.592.461.060.211.230.460.110.302.340.510.131.250.360.732.381.060.260.520.180.333.620.500.24
Gln-ThrME3847421.330.220.201.300.160.092.160.520.901.790.920.612.230.600.480.540.970.430.750.330.670.650.880.193.080.220.637.000.990.322.560.581.841.640.810.710.800.110.681.102.500.490.840.650.090.130.550.770.142.130.291.041.851.210.271.080.140.534.240.440.27
Leu-LeuME3847790.520.290.121.440.190.230.920.770.292.620.760.510.380.470.211.710.510.400.260.570.181.760.170.231.270.340.5310.050.440.271.650.830.632.840.731.000.530.620.182.460.550.561.110.380.080.110.691.100.135.130.590.652.970.400.330.370.490.154.640.190.12
Ala-SerME3846850.720.260.350.690.260.280.470.490.260.690.260.350.510.300.380.310.380.580.360.260.470.510.370.260.780.290.378.310.490.262.620.751.212.901.160.670.480.430.501.590.760.421.271.281.010.790.581.681.070.890.761.653.431.260.380.770.380.637.480.480.30
Ile-ArgME3847710.310.120.062.430.260.140.750.220.482.610.320.260.780.160.180.900.310.200.250.270.271.400.420.231.840.280.319.330.680.441.890.431.215.670.850.400.530.120.412.711.360.370.800.280.070.111.000.950.171.800.550.945.330.850.270.770.110.494.680.230.24
Val-ArgME3848910.560.200.192.010.140.121.020.680.671.780.970.710.700.290.210.950.270.720.450.250.340.920.230.241.790.320.557.280.510.482.250.701.423.471.060.720.580.600.882.021.461.230.910.350.270.220.422.040.311.420.480.963.621.080.250.640.610.494.550.470.37
Sucrose isomer AME3848681.070.570.390.581.290.350.550.550.513.701.550.740.510.340.630.280.440.600.500.340.510.550.500.490.360.681.452.530.550.941.340.700.640.990.830.960.691.090.470.730.605.901.462.460.440.450.390.531.503.891.190.601.230.940.830.540.530.601.270.820.47
Turanose isomer BME3848870.940.360.170.511.440.150.250.500.275.851.090.530.490.380.450.100.260.860.280.290.260.380.320.320.150.511.265.180.280.690.680.230.130.460.240.450.310.940.160.460.2510.241.435.200.460.170.250.352.053.940.600.190.780.420.390.290.350.312.200.470.32
Hexanoyl-carnitineME3847600.492.660.161.940.534.370.452.770.140.270.821.040.933.040.340.770.791.700.372.370.180.750.160.630.392.910.311.400.421.480.080.240.060.570.090.260.112.210.061.150.060.480.731.945.752.131.531.351.650.060.770.060.610.060.940.162.390.060.860.740.41
2’-deoxyadenosineME3847094.214.460.250.363.042.835.292.610.520.043.251.995.341.880.040.043.072.742.790.600.050.041.580.970.054.330.040.220.040.040.240.070.440.060.120.100.750.090.160.090.120.220.441.490.680.040.041.672.310.220.100.270.050.110.080.110.130.040.070.070.18
β-Nicotinamide adenine dinucleotideME3846251.941.930.671.461.354.562.072.900.600.781.591.482.522.771.162.132.754.880.660.790.500.510.430.450.480.480.390.460.310.470.330.330.250.230.200.280.590.680.460.400.390.560.900.761.730.550.670.871.150.250.380.280.330.310.180.871.280.640.820.600.64
AdenosineME3846744.044.350.460.992.734.162.612.280.520.102.171.792.331.700.010.062.042.031.441.260.030.041.751.220.100.310.010.020.040.170.780.820.580.080.260.910.760.850.420.130.310.530.791.331.630.010.031.483.130.571.060.490.050.420.850.601.060.080.040.310.75
Adenosine isomerME3846793.834.290.421.032.524.292.562.450.530.092.112.022.401.790.000.052.012.161.451.330.020.031.651.340.070.320.000.000.020.160.680.850.510.050.250.950.690.890.350.110.300.520.771.311.870.000.011.463.370.521.070.470.030.340.840.541.110.060.020.300.76
Lauryl diethanolamide isomerME3847760.860.662.120.700.740.731.510.931.050.620.590.770.990.930.830.828.790.720.800.770.790.720.630.810.730.790.800.560.980.810.810.671.070.550.850.950.630.720.780.821.100.840.800.950.990.960.571.000.740.800.760.840.480.881.100.700.780.831.400.713.19
Stearamide isomer AME3848650.600.551.470.760.540.861.730.590.780.430.440.470.890.600.600.537.550.560.860.750.430.520.620.860.500.800.530.450.660.660.540.510.740.401.570.690.430.610.481.611.460.600.543.503.220.760.360.840.910.520.430.570.550.793.020.680.580.565.360.591.86
2-Benzothiazolesulfonic acidME3846410.160.641.401.070.302.930.800.251.331.760.220.350.600.441.501.660.750.670.540.401.421.740.280.480.190.741.331.140.541.990.220.421.371.010.352.660.360.251.421.320.590.920.832.940.491.471.621.350.560.200.521.443.210.263.560.310.561.401.820.240.45
CyclohexanamineME3847130.140.161.711.910.123.830.170.291.803.040.130.230.160.251.793.280.240.230.190.311.803.360.150.230.130.232.161.800.142.420.170.211.411.780.132.980.170.261.491.490.180.211.030.140.181.663.160.140.220.150.231.471.760.173.610.160.251.591.700.130.24
N-(Methyl)mercaptoacetamideME3847900.050.012.151.290.025.600.660.731.982.280.020.030.100.022.222.600.010.010.420.382.072.270.020.010.040.242.031.150.022.790.050.012.281.190.014.090.800.812.010.950.010.011.050.010.012.052.190.010.020.070.202.101.200.024.950.040.182.121.080.020.02
LidocaineME3847801.531.040.570.360.990.820.600.760.501.281.210.970.601.360.450.481.481.200.781.140.280.491.031.371.090.500.300.670.670.823.251.610.420.381.330.640.330.670.831.111.080.680.480.851.360.310.701.171.223.870.700.520.371.097.051.290.730.391.150.871.36
Arg-GluME3846911.830.360.351.420.460.250.410.220.450.900.730.272.060.340.260.670.251.180.730.211.010.291.940.284.391.584.081.042.220.941.620.294.740.290.930.260.321.111.690.680.450.310.462.360.371.500.380.530.631.190.310.610.741.120.260.880.624.601.301.290.24
N-Acetyl-glucosamineME3848030.900.681.061.070.640.722.120.951.251.410.970.871.210.951.171.240.980.890.950.811.091.030.880.680.830.706.650.910.700.610.680.620.871.000.440.620.810.691.021.030.630.660.911.191.161.361.491.141.060.670.630.930.970.510.730.760.690.991.000.600.57
N-Acetyl-β-mannosamineME3848010.860.561.101.140.530.652.560.901.241.480.910.891.220.951.231.330.910.870.910.751.100.950.790.560.710.539.540.840.500.430.520.500.991.010.240.460.800.521.030.980.460.550.871.201.201.361.721.101.110.470.440.860.930.351.000.650.600.940.940.380.40
Hexose phosphate isomer AME3847250.150.060.650.070.160.180.360.120.960.160.510.090.570.560.240.060.580.103.181.713.040.963.491.311.390.672.640.542.060.731.521.182.920.621.520.981.020.352.970.631.900.321.201.030.690.570.190.870.431.780.622.730.552.050.510.780.251.700.140.570.33
Hexose phosphate isomer BME3847260.140.040.590.060.050.040.120.050.640.070.360.050.360.180.100.030.220.053.701.703.491.344.331.201.400.412.990.721.880.551.780.963.630.791.430.960.730.153.640.901.930.261.160.990.510.390.160.850.251.780.533.100.791.990.390.830.131.870.130.330.19
Thr-Pro-ArgME3848760.190.140.170.060.390.090.100.060.130.070.320.060.130.060.090.060.150.110.070.070.200.060.150.360.840.230.190.461.140.414.213.374.340.354.341.340.410.231.101.185.622.040.970.060.070.080.060.150.064.151.684.010.344.361.641.390.581.260.072.762.38
His-ValME3847681.030.180.130.300.500.490.790.410.550.510.970.921.300.280.170.311.260.660.520.220.280.180.780.481.350.290.280.861.060.664.602.013.331.502.821.871.181.040.921.203.161.540.980.140.120.040.100.310.212.871.132.181.262.621.210.970.680.730.821.140.64
Tyr-LeuME3848881.400.300.170.120.590.340.230.110.180.110.310.201.210.260.140.151.120.240.360.230.150.190.490.171.800.190.451.140.860.316.002.064.830.473.481.270.960.350.620.932.840.400.950.280.240.090.101.010.243.821.074.600.773.090.781.690.500.910.851.790.75
Phe-LysME3848380.480.090.110.630.170.330.530.180.602.040.470.310.780.180.080.660.330.170.120.130.100.460.170.151.620.250.182.590.510.272.641.703.204.461.542.071.741.290.502.972.160.800.900.100.080.060.410.300.102.511.072.094.422.020.870.900.560.493.121.180.51
Thr-ThrME3848771.250.100.200.710.190.070.490.080.260.910.890.071.800.210.080.500.540.190.310.200.200.270.430.151.470.230.145.320.630.333.851.332.393.072.761.010.890.310.752.683.090.621.080.100.120.090.160.620.072.300.622.183.023.190.380.710.160.733.010.930.27
Thr-GlnME3848751.470.120.420.240.370.140.760.170.770.540.910.293.090.640.820.261.820.611.200.330.730.190.760.271.840.190.733.630.800.313.920.803.391.191.471.101.230.221.360.982.520.630.960.590.160.250.080.590.102.050.262.281.441.820.211.480.231.203.071.020.11
Val-HisME3848931.270.120.440.460.340.191.430.390.720.531.310.421.840.600.870.231.240.430.630.260.620.270.640.193.260.291.032.631.090.413.430.662.681.731.830.971.650.361.730.842.380.520.930.420.160.190.122.600.102.050.411.831.351.890.321.080.351.591.571.070.37
Arg-AlaME3846890.780.320.551.220.530.420.550.260.520.780.600.480.860.220.340.890.510.340.460.240.520.740.550.331.090.480.633.460.770.491.821.141.881.921.411.341.070.621.581.251.500.911.250.980.500.641.131.010.561.841.011.451.901.890.921.050.811.463.251.030.86
Asn-ArgME3846981.070.280.361.290.210.380.950.310.950.740.490.391.630.490.571.020.470.410.880.400.950.430.700.212.890.331.143.781.140.331.640.551.612.580.570.321.560.502.491.251.950.540.891.360.430.530.471.000.252.390.270.882.191.750.281.310.301.943.440.660.36
Gly-LysME3847570.970.150.841.040.220.381.150.321.091.010.740.331.160.200.570.280.420.470.540.170.530.170.340.131.240.220.744.110.710.241.950.413.062.060.651.020.840.363.611.381.440.271.300.660.250.240.170.610.291.920.332.581.822.010.240.910.273.464.100.700.32
Arg-ThrME3846950.920.230.440.510.390.240.880.240.520.250.400.251.530.210.310.290.640.210.670.210.980.231.340.212.470.220.872.820.870.341.550.323.390.880.480.751.550.233.350.772.120.271.671.120.230.300.251.360.212.750.281.961.202.470.231.380.293.332.660.980.24
Lys-GlnME3847821.130.120.651.060.120.140.790.120.790.410.360.121.200.190.470.550.560.180.380.161.020.540.510.142.750.281.323.591.090.302.200.363.201.780.410.871.510.292.981.372.760.290.930.790.170.330.860.520.203.140.232.211.662.440.290.970.272.953.480.640.18
Ser-ArgME3848580.970.140.381.050.310.270.990.210.490.520.590.241.250.110.150.390.560.330.670.140.480.340.710.081.520.310.672.540.880.292.360.733.072.451.200.891.590.461.631.601.890.651.370.690.150.110.280.760.102.750.622.442.272.900.541.390.492.042.821.030.65
Gly-ArgME3847511.110.210.730.650.690.450.920.320.740.280.630.481.210.210.700.540.690.550.850.260.810.280.640.191.330.521.392.040.780.441.740.402.991.570.981.111.180.622.820.961.380.751.590.850.460.260.351.010.331.880.462.361.561.530.321.060.462.692.581.090.57
Ser-AlaME3848570.870.260.780.560.610.190.390.150.770.610.450.261.720.490.720.731.110.531.000.401.120.621.400.351.430.470.953.001.120.431.950.923.371.221.301.040.860.362.381.151.740.471.240.620.300.150.320.790.251.730.512.311.322.170.580.900.312.592.400.780.49
Arg-AspME3846900.850.190.600.400.230.231.230.391.000.850.830.301.220.240.430.690.810.310.980.310.870.301.080.141.270.330.860.750.910.301.830.763.930.960.550.711.470.423.611.341.810.621.221.200.520.750.650.910.382.400.442.650.722.900.191.470.433.601.011.070.61
Gln-GlyME3847410.730.180.620.270.500.150.680.060.860.730.550.182.231.191.120.771.260.640.980.531.490.801.540.301.490.161.161.660.930.282.451.154.401.051.631.220.870.322.861.332.070.331.030.600.180.270.640.530.172.030.612.560.952.200.360.740.222.480.740.470.36
Gln-ArgME3847391.500.230.390.350.490.350.420.110.480.110.460.111.290.090.210.220.790.250.540.110.450.151.070.082.080.320.471.161.230.452.781.034.450.760.860.671.120.312.211.143.280.621.260.700.100.130.230.630.124.810.462.940.814.730.401.560.432.411.041.280.72
Ser-LysME3848600.860.110.170.270.110.190.580.110.340.350.570.290.860.130.120.140.320.160.250.060.180.070.350.131.570.310.270.670.740.303.521.724.332.151.220.881.280.531.611.472.490.971.780.400.130.070.070.220.094.810.992.731.614.380.871.330.391.881.201.320.77
Carnosine isomer BME3847060.720.200.360.270.190.270.270.090.350.260.270.090.850.120.120.200.410.200.350.120.340.190.580.171.060.410.570.850.890.382.981.595.481.541.401.540.990.452.791.512.551.001.060.440.140.110.100.440.243.251.343.671.623.521.021.340.853.061.141.301.11
His-GlyME3847620.930.340.760.330.670.450.380.160.560.310.540.220.690.190.380.270.560.280.450.200.570.280.680.351.300.481.150.541.420.542.311.154.880.811.671.071.020.482.911.183.330.941.020.390.190.250.140.570.252.700.764.030.822.730.681.480.663.210.761.501.07
Ile-Pro-ArgME3847720.800.460.820.141.440.400.150.010.450.040.590.040.440.030.240.060.520.190.210.090.430.060.790.461.060.380.960.351.840.362.341.465.770.532.480.850.980.232.311.064.230.931.080.230.060.100.030.740.212.610.794.200.633.160.491.650.503.120.562.251.28
Erythro-Sphinganine-1-phosphateME3847220.900.890.510.350.580.671.240.440.350.530.650.750.170.100.030.050.110.100.400.340.190.330.140.360.630.530.200.250.430.252.892.332.423.111.601.491.551.180.491.441.020.961.240.120.170.030.030.190.142.832.483.113.431.801.471.972.121.352.131.351.14
Lys-AlaME3847810.340.360.741.070.390.380.280.190.710.890.260.270.280.110.260.770.230.150.260.210.500.790.280.300.550.420.991.540.430.381.651.653.663.821.311.500.700.721.791.830.830.771.150.560.420.661.300.630.441.541.423.633.411.421.100.841.092.152.280.930.83
GlycineME3847560.670.520.570.540.640.540.740.560.670.730.740.630.680.480.560.530.590.520.660.500.600.480.650.640.840.670.810.770.840.743.042.732.672.712.242.591.130.981.201.301.161.040.960.550.410.670.640.570.411.651.681.781.682.111.440.800.800.910.700.740.74
N-Acetylaspartylglutamic acidME3848020.530.260.410.440.300.320.910.650.650.760.820.800.490.440.580.600.430.420.480.390.600.490.420.361.220.891.381.290.970.872.251.841.771.841.701.761.601.341.681.761.331.451.050.610.520.830.810.530.461.771.691.691.691.931.401.121.091.301.070.970.82
N-Acetyl-lactosamineME3848040.690.550.841.030.590.560.810.590.941.160.690.500.440.410.640.660.460.470.480.440.750.730.470.470.980.891.151.110.950.912.331.932.702.541.591.741.100.971.421.420.970.920.880.940.811.291.291.020.941.291.211.751.791.171.080.850.741.080.960.700.68
Erythro-Sphingosine-1-phosphateME3847230.981.160.240.180.971.591.210.640.150.251.071.170.240.140.020.050.320.270.510.550.070.130.430.780.850.830.090.160.820.772.662.470.901.362.132.181.611.530.260.821.301.521.220.170.240.020.030.420.432.472.581.071.322.442.352.022.310.490.972.032.12
Pro-MetME3848480.920.160.060.050.180.690.630.150.120.180.250.280.750.110.030.040.250.160.250.110.150.030.430.101.840.520.180.230.420.623.951.922.741.981.021.732.331.130.821.261.791.721.060.180.050.020.020.190.085.292.292.491.374.661.992.001.551.200.781.621.64
N-MethylprolineME3848200.480.820.701.650.430.800.560.930.721.060.560.940.641.160.791.120.770.960.631.411.141.290.661.240.751.311.685.670.581.210.500.830.931.580.590.780.490.940.801.000.490.910.870.520.890.681.120.500.700.441.160.864.760.480.930.511.300.791.260.550.71
Proline betaineME3848630.670.310.742.030.560.480.520.610.970.970.640.530.400.270.670.610.510.340.390.290.770.640.540.450.910.531.586.470.780.731.000.521.543.250.740.620.490.341.011.830.590.521.380.660.511.531.600.780.650.710.381.195.620.680.540.680.391.081.510.650.55
2S-Amino-4E-octadecene-1,3S-diolME3846470.680.950.553.530.831.290.630.610.441.130.480.840.770.760.480.960.580.690.871.060.611.330.751.310.750.710.561.750.741.720.630.700.532.350.590.640.860.950.672.040.771.451.560.410.570.320.600.530.620.510.470.493.380.521.111.280.750.682.890.660.83
N,N-DimethylsphingosineME3847920.220.580.373.470.361.230.450.660.682.230.250.310.480.620.461.590.360.210.310.210.221.350.180.210.280.480.403.690.280.970.290.430.363.020.300.441.120.920.954.550.520.502.110.080.100.090.100.180.100.300.250.463.900.210.702.430.741.025.830.301.03
SwainsonineME3848712.900.410.620.350.390.360.472.530.380.230.340.970.430.300.600.250.390.530.370.331.570.360.430.974.720.323.761.590.361.510.740.390.600.280.370.440.390.342.411.950.701.201.491.710.983.070.541.711.141.040.430.760.370.330.631.950.281.510.630.421.44
HistamineME3847652.011.430.871.821.391.930.100.380.050.070.250.150.570.870.710.830.610.870.660.530.420.380.340.183.603.454.445.191.702.910.070.150.060.400.110.160.720.980.741.500.340.580.940.210.650.180.252.340.370.420.861.111.030.510.551.201.490.581.101.151.73
MethylhistamineME3847891.790.901.171.690.971.000.150.220.230.180.300.160.911.030.870.860.941.051.381.031.321.371.030.693.332.434.654.312.032.170.270.220.280.320.240.260.780.691.241.200.570.561.000.500.480.500.470.590.440.630.640.790.770.440.491.150.961.221.341.000.80
Abietic acidME3846781.220.211.940.110.390.290.500.190.950.241.100.100.730.451.300.330.660.810.930.421.490.130.120.260.670.881.760.081.470.230.590.400.220.232.680.263.140.121.270.231.640.242.561.020.282.880.080.980.561.240.282.950.163.470.830.950.152.650.291.930.30
Palmitamide isomer AME3848320.880.880.560.790.780.970.880.720.840.520.620.661.110.890.640.650.840.720.931.040.470.650.730.590.751.010.730.461.000.810.770.840.830.481.980.870.520.630.681.682.070.740.704.483.120.740.471.161.140.750.580.640.651.072.371.080.730.764.650.761.15
4-Imidazoleacrylic acidME3846660.510.690.991.061.050.711.320.950.810.880.820.870.790.740.930.541.020.840.720.810.720.870.671.661.121.551.521.220.700.750.580.771.020.980.780.810.600.760.910.770.731.410.880.871.120.950.833.761.020.500.910.971.010.860.650.491.340.864.460.921.10
4-Imidazoleacrylic acid isomerME3846650.480.750.821.230.620.740.750.780.700.570.640.900.660.660.850.541.010.890.740.910.720.670.600.760.963.982.130.980.620.970.390.640.480.630.670.830.580.630.900.700.611.011.260.631.020.780.543.160.930.411.030.790.530.730.770.421.010.837.600.811.03
Prolinamide isomer AME3847930.380.801.051.481.011.190.441.110.791.150.551.050.510.950.901.090.720.840.461.020.661.040.601.660.631.311.120.990.390.850.350.860.491.230.440.980.340.900.761.300.460.951.010.571.250.760.922.091.320.420.990.640.860.540.780.481.070.939.030.550.95
TMAOME3848792.700.590.500.640.640.921.330.700.500.680.810.791.280.590.500.630.690.961.100.510.470.510.700.791.300.490.600.710.710.891.290.430.590.720.730.651.170.520.580.930.720.871.042.863.521.341.732.026.301.190.470.560.640.770.651.110.580.570.600.700.75
2^-O-MethylguanosineME3846441.111.840.730.630.512.091.453.220.610.280.071.730.110.280.921.840.602.000.390.950.620.360.331.930.323.380.610.720.120.451.090.840.842.500.300.290.311.151.110.541.183.720.031.560.990.310.991.851.030.351.351.422.080.951.580.760.940.831.910.481.52
CotinineME3847100.550.560.752.540.552.670.492.120.632.120.650.460.570.491.050.560.682.090.640.460.671.670.632.470.662.530.680.550.590.720.732.550.662.310.601.850.530.440.542.710.800.460.670.812.230.720.480.781.940.610.560.830.560.650.570.551.870.600.740.640.58
9-Oxo-10E,12Z-octadecadienoic acidME3846770.721.230.683.360.510.890.692.060.940.620.740.970.830.790.630.640.830.860.720.580.750.560.590.980.451.500.930.580.653.740.620.430.581.910.750.800.410.630.714.830.721.090.760.642.410.700.441.363.530.581.290.641.000.780.700.510.440.790.660.700.54
5-MethoxytryptopholME3846700.560.570.402.310.372.710.531.530.281.110.680.380.540.400.751.280.321.570.451.110.601.330.471.200.371.610.520.350.394.070.441.020.403.210.553.790.281.730.424.290.480.340.390.282.161.090.320.583.430.600.790.440.510.231.240.381.300.430.620.552.42
NicotineME3848130.690.990.691.360.511.850.311.200.731.550.840.780.470.800.591.500.710.760.451.390.701.360.971.910.411.860.770.760.393.630.531.140.602.530.551.570.711.740.482.980.810.670.360.771.310.540.530.622.480.641.290.490.920.530.930.551.550.731.300.662.19
Prostaglandin A2ME3848500.771.081.052.440.431.611.460.374.810.610.370.471.651.134.051.250.882.160.370.893.160.860.931.491.102.010.420.930.370.370.620.410.460.371.460.590.320.860.791.360.820.940.370.850.331.750.471.200.600.630.311.291.101.020.510.390.340.771.330.791.07
Neoabietic acidME3848072.450.621.790.471.320.932.020.521.520.421.490.590.850.561.090.311.340.460.990.442.050.323.100.463.370.620.460.363.320.260.960.562.630.560.750.450.620.592.770.311.520.530.251.490.690.920.431.980.391.780.521.210.331.440.381.450.820.530.242.160.32
ectoineME3847310.521.200.890.820.660.670.712.300.971.340.720.810.711.220.661.000.910.610.775.200.880.781.010.770.720.901.240.930.700.760.621.741.050.900.700.680.691.721.040.810.680.790.960.831.080.850.960.921.510.600.830.891.041.020.700.571.570.861.450.691.01
Triethyl citrateME3848840.510.620.501.800.461.320.432.350.861.400.421.190.482.470.541.640.630.630.584.140.831.794.321.130.540.430.651.560.510.610.470.420.431.090.551.540.411.350.590.830.610.410.430.451.980.651.530.470.780.770.490.600.680.840.540.463.210.693.270.630.84
4-Aminobenzoic acidME3846590.600.321.381.670.430.361.060.822.713.490.920.760.410.241.141.370.330.240.430.311.441.620.400.320.860.572.522.630.640.620.790.612.513.120.560.640.490.341.812.160.380.310.990.250.180.861.060.210.180.630.472.032.710.500.360.560.462.012.380.480.38
N-FormylmethionineME3848100.550.260.960.730.310.100.330.270.821.130.550.180.370.430.780.190.370.262.001.411.894.591.280.500.860.471.462.210.820.541.100.631.233.480.621.110.720.631.582.440.830.191.001.480.901.402.191.270.540.750.401.243.220.581.200.580.280.841.340.350.28
Orthanilic acidME3848310.250.081.190.500.230.070.350.131.611.720.810.110.180.050.320.050.060.031.000.411.791.651.060.240.730.732.201.961.441.000.650.741.261.930.911.360.870.472.111.631.360.222.061.450.682.142.361.520.700.700.491.331.640.580.840.430.201.771.540.440.33
DMSOME3847271.011.360.161.390.950.790.891.760.020.420.810.861.132.640.020.320.800.761.102.110.030.330.780.810.911.120.022.850.820.810.871.060.141.670.860.761.001.653.042.630.950.810.851.132.580.030.320.551.000.901.070.031.450.910.820.891.290.022.600.801.12
Glycerol trilaurateME3847530.760.591.910.411.410.280.540.380.331.520.790.520.561.430.330.580.291.600.520.690.242.410.161.051.040.790.812.142.550.250.440.411.190.840.830.180.471.060.160.302.220.462.540.450.332.430.421.100.270.520.701.780.352.630.340.411.420.700.501.780.51
Acetyl-cholineME3846211.902.802.041.292.223.380.240.240.170.110.230.211.431.351.180.541.431.182.332.331.620.592.051.230.910.760.610.440.840.830.480.640.670.450.400.571.231.101.460.500.890.881.120.921.050.550.170.830.790.640.740.500.330.670.621.050.981.130.500.921.22
XanthineME3848941.531.411.810.972.090.800.520.160.600.170.750.270.960.461.190.571.070.640.610.400.890.350.960.660.880.550.950.521.140.641.140.781.320.581.150.910.910.501.550.641.570.770.842.981.013.251.264.071.400.940.661.090.541.280.820.950.631.160.471.200.79
Pantothenic acid isomer AME3848351.160.610.590.651.260.792.041.220.630.662.581.800.930.660.530.501.210.810.880.570.550.441.020.561.440.790.920.801.570.940.810.550.590.540.910.630.920.560.640.661.120.671.052.591.861.741.863.602.400.790.560.490.500.960.620.870.570.530.480.990.65
Pantothenic acidME3847291.170.590.600.641.240.792.211.170.640.652.651.730.950.620.530.491.230.760.880.550.560.431.020.541.470.730.910.791.540.920.850.540.620.550.900.630.930.540.700.681.110.621.062.661.791.741.673.892.310.810.540.520.520.970.600.880.570.540.470.940.60
Pantothenic acid isomer BME3848361.200.590.550.651.270.762.151.180.620.672.721.780.920.610.540.471.190.760.880.530.510.441.010.521.480.720.910.831.560.940.850.540.620.570.900.620.920.530.700.661.090.631.082.641.851.761.733.952.340.770.520.470.500.990.550.890.520.510.490.920.59
2^-DeoxycytidineME3846420.720.721.461.390.780.581.240.642.272.620.410.271.771.142.122.050.930.991.811.232.072.170.941.110.720.230.640.850.330.230.280.190.410.490.400.220.890.240.410.960.400.221.112.091.363.823.521.541.250.230.280.560.830.180.240.480.540.901.370.370.35
1-MethylnicotinamideME3846320.911.211.342.451.141.150.180.360.270.420.310.271.041.381.311.901.601.611.281.641.782.202.191.160.800.871.011.471.371.270.260.260.370.560.350.340.240.280.390.550.360.341.061.622.012.143.162.542.240.250.310.320.550.350.330.400.530.670.960.570.54
3^-O-MethylguanosineME3846561.451.091.281.301.311.001.531.061.421.431.090.911.000.501.010.980.840.611.330.881.331.171.130.691.000.351.031.100.590.490.680.330.750.660.450.390.750.621.121.200.800.721.111.911.532.371.952.021.670.510.510.570.750.580.341.000.771.281.120.720.53
TaurineME3848731.421.411.471.751.201.401.140.981.061.430.971.121.411.351.391.651.201.411.251.341.371.401.121.200.570.520.590.730.460.540.370.360.430.500.320.430.470.480.660.760.410.520.961.922.112.112.242.062.140.390.440.460.540.390.410.670.750.880.890.550.68
(3-Carboxypropyl)trimethylammonium cationME3846221.411.202.022.041.231.151.220.960.901.110.971.061.511.202.232.601.221.031.421.312.412.481.161.080.750.570.951.120.580.510.440.350.500.550.340.450.550.390.850.870.430.421.010.780.751.171.310.750.730.470.400.540.610.400.340.870.791.551.580.690.67
Cytidine-5^-monophosphateME3847200.890.501.091.460.210.681.401.011.551.470.961.011.441.741.482.221.181.181.822.042.002.761.501.230.490.390.690.910.290.290.420.280.630.930.210.280.600.590.961.000.240.331.041.332.361.662.311.142.030.370.280.710.790.190.220.620.401.261.180.290.29
UMPME3848890.580.480.621.110.070.531.741.640.891.450.921.631.652.041.342.281.241.551.952.091.882.621.341.100.790.640.801.230.310.570.280.380.421.070.110.380.620.760.521.130.120.451.000.832.211.292.090.901.690.330.440.541.080.090.300.720.711.211.530.290.45
Phosphocholine isomerME3848432.522.073.252.652.591.421.470.691.441.151.120.701.380.621.521.330.900.751.770.952.301.011.770.901.250.551.630.690.870.550.400.280.410.380.220.330.570.320.860.610.430.310.941.170.711.991.790.910.600.460.230.420.330.390.230.830.371.440.580.520.40
Val-GlnME3848921.741.201.811.291.171.070.270.130.320.360.200.212.681.592.161.572.112.231.841.071.981.081.821.330.880.241.192.320.600.320.470.160.460.610.110.240.260.160.690.700.200.191.292.201.281.911.662.291.540.210.240.360.370.310.100.730.511.481.600.400.29
3^-α-Sialyl-N-acetyllactosamineME3846492.051.622.111.611.471.410.330.280.520.300.350.262.701.972.411.821.981.971.931.381.881.331.651.351.151.021.461.080.960.750.160.100.310.210.080.170.380.310.680.460.340.321.281.391.031.251.031.261.080.230.210.370.250.130.140.970.841.391.000.690.68
(-)-N-Acetylneuraminic acidME3846192.011.802.131.731.531.510.640.600.530.630.540.542.611.962.381.811.971.991.911.391.801.281.621.311.071.041.361.090.960.730.140.100.220.190.050.220.300.220.630.410.290.271.201.381.011.231.081.221.130.160.150.310.230.120.110.950.821.290.990.680.61
5β-Androstane-3α,17β-diolME3846691.230.670.801.920.870.731.761.561.461.140.630.361.181.020.620.910.610.640.560.400.940.991.980.751.100.740.920.461.331.800.580.491.011.420.631.140.650.360.951.600.450.750.520.710.860.960.411.102.743.180.380.990.951.160.641.461.640.640.942.950.66
4-Acetylbutyric acidME3846581.842.191.780.660.651.611.013.470.770.770.830.770.841.240.710.591.450.700.811.040.681.081.280.670.612.100.920.451.210.571.040.550.930.460.540.711.510.581.010.170.870.770.990.891.131.530.551.820.541.620.891.100.381.411.211.090.780.600.291.080.71
DexpanthenolME3847240.940.670.670.470.730.754.421.880.641.221.130.841.001.240.980.490.880.810.900.980.810.600.750.750.940.861.640.971.002.410.650.571.140.530.700.790.490.610.941.000.941.221.470.920.860.860.611.950.600.691.051.050.410.950.550.631.430.580.890.700.91
PropionylcarnitineME3848490.450.690.310.590.340.923.113.581.192.192.233.040.540.830.390.850.601.000.540.920.400.680.420.680.951.230.731.270.551.040.731.160.571.870.480.990.871.240.531.330.310.791.030.611.390.931.440.550.960.571.150.591.660.390.860.701.300.731.700.530.70
ErgothioneineME3847330.970.870.280.270.691.232.622.870.690.642.263.150.780.790.220.190.670.980.600.690.180.120.500.791.391.370.510.420.991.491.651.870.500.441.101.691.331.510.530.581.141.641.030.811.090.270.250.811.101.351.600.450.391.141.561.201.470.470.340.901.45
BetaineME3847021.280.780.560.651.241.112.401.340.891.041.781.920.650.390.490.550.600.480.860.650.600.610.840.841.390.931.151.191.121.011.220.871.191.390.980.911.020.700.931.090.970.851.070.910.581.181.450.820.721.300.930.941.071.230.961.190.820.910.961.201.05
Ala-IleME3846830.900.590.450.630.660.772.741.951.251.962.492.720.830.720.290.710.830.820.800.730.400.630.670.710.630.360.260.710.580.701.140.990.720.920.961.371.021.031.101.431.101.371.071.081.260.651.061.271.380.971.090.681.030.960.860.861.110.821.180.651.10
Malonyl-carnitineME3847860.970.870.800.690.930.962.922.271.071.272.652.840.810.530.600.580.750.600.740.660.730.700.700.890.620.490.630.500.570.571.641.340.970.961.351.550.970.830.870.870.981.041.140.440.370.500.460.480.481.381.310.960.871.431.351.061.001.010.921.000.96
gamma-GlutamylleucineME3847370.760.590.860.980.630.711.891.632.313.061.861.900.520.480.650.700.480.510.500.490.720.700.450.480.750.610.911.040.620.680.870.801.281.450.660.810.770.711.311.430.680.651.041.441.441.401.611.541.530.780.791.291.390.760.670.740.721.301.290.600.62
CitrullineME3847080.710.690.960.950.710.642.271.712.883.111.641.511.351.191.551.511.321.440.760.751.331.160.740.550.520.630.750.790.350.330.610.521.311.300.580.480.540.461.101.160.580.541.071.030.961.801.731.150.740.540.551.231.150.620.380.480.521.060.850.460.40
N.alpha.-Acetyl-lysineME3848091.000.541.391.520.600.561.791.312.923.381.191.151.160.651.481.800.840.710.940.671.611.620.670.500.810.401.361.320.350.390.430.270.981.110.240.270.480.351.421.450.290.311.121.181.011.912.140.980.930.450.391.191.280.250.260.710.601.591.490.360.47
4-Acetamidobutyric acidME3846571.020.801.160.800.910.891.460.741.360.740.840.860.920.591.260.810.710.881.000.782.040.890.800.740.930.743.550.830.830.760.790.950.870.660.650.770.790.642.150.751.040.790.931.580.853.470.981.130.750.860.800.930.760.711.160.800.591.130.770.850.78
3α-GalactobioseME3846480.660.780.721.000.700.480.592.050.880.800.810.720.750.690.910.810.930.900.690.610.920.850.930.840.632.791.191.040.740.880.781.060.841.460.940.840.560.640.761.020.633.061.051.521.191.821.722.011.710.940.840.771.380.900.700.610.620.661.030.780.65
Sucrose isomer BME3848690.660.830.830.980.680.560.841.600.760.820.800.750.850.690.990.810.860.900.810.720.930.820.970.880.701.611.081.000.680.780.841.030.961.271.540.760.720.690.820.890.701.741.041.740.951.611.381.471.050.850.814.231.300.910.750.730.600.880.980.750.67
Glycerol tricaprylateME3847521.110.350.740.692.180.340.980.631.890.481.421.000.571.050.791.311.371.381.351.101.410.841.011.312.710.721.022.311.570.590.510.660.830.590.871.011.251.181.260.610.331.390.521.120.620.691.071.810.531.160.720.290.791.120.731.080.891.930.851.840.54
O,O-Diethyl phosphateME3848252.040.562.100.901.320.301.690.211.940.661.350.531.520.682.030.601.420.761.260.281.230.731.400.151.220.661.290.911.540.481.801.281.900.371.280.650.910.891.160.551.581.000.231.390.431.850.661.510.521.550.831.710.631.310.631.550.571.100.731.540.35
TarginineME3848720.890.611.160.321.320.520.650.261.030.481.100.400.880.300.710.400.850.470.660.341.030.350.970.591.010.440.980.381.310.492.061.182.910.631.941.010.890.432.210.872.570.801.120.750.340.740.411.070.522.260.732.270.642.630.621.410.622.500.481.821.12
Arginine isomerME3846921.140.771.100.641.280.870.830.490.930.620.940.580.930.440.880.661.020.740.870.501.040.531.000.781.180.751.350.771.240.721.601.081.970.861.300.991.000.721.591.011.520.951.150.790.500.780.601.000.611.660.921.870.841.630.871.320.881.750.791.330.92
Argininosuccinic acidME3846931.150.401.370.680.790.461.150.401.270.931.060.451.240.361.320.890.890.531.230.401.460.641.060.521.320.551.720.711.260.621.450.762.090.821.180.561.160.512.151.241.640.751.050.950.471.831.101.070.501.360.511.950.841.410.371.330.491.870.761.210.58
PyridoxamineME3848530.490.690.380.820.660.420.660.840.261.221.001.190.430.560.611.190.581.450.260.400.340.890.340.880.871.091.062.081.211.140.830.950.572.130.940.751.041.091.002.441.201.871.680.741.310.821.671.181.250.370.900.581.440.540.780.721.060.671.371.211.06
Cysteine-glutathione disulfideME3847171.120.550.890.611.850.631.770.651.350.892.191.151.120.460.970.671.320.820.880.410.760.280.920.771.440.630.960.551.790.721.480.740.890.341.460.611.030.531.150.541.541.381.031.340.501.010.661.390.601.510.780.780.391.480.481.810.881.570.622.031.19
Methacholine cationME3847871.220.500.570.521.510.711.550.640.550.601.920.951.190.480.520.541.620.641.170.540.600.551.600.761.330.540.630.601.620.761.930.760.820.782.081.121.310.600.800.881.750.851.081.290.700.740.731.900.811.400.700.790.762.090.801.290.710.880.751.760.84
Nicotinamide riboside cationME3848121.081.030.640.791.791.070.990.870.620.961.340.840.780.520.610.690.780.690.550.470.490.460.580.511.081.080.570.912.071.230.901.080.530.881.310.951.221.290.710.912.711.770.990.780.580.550.590.750.690.811.130.620.871.611.241.381.590.881.082.911.64
5α-Cholest-7-en-3β-olME3846680.970.830.590.701.281.730.980.791.340.710.880.801.340.700.390.920.641.391.080.660.380.930.841.010.800.610.381.110.751.851.541.421.301.411.291.711.470.920.601.381.141.050.080.761.080.900.710.940.421.561.341.211.851.571.571.431.600.921.621.231.39
Lacto-N-bioseME3846351.130.990.590.631.030.981.030.650.380.430.940.801.140.920.690.691.120.960.980.840.640.510.870.741.391.020.830.681.191.091.721.551.061.201.341.391.561.441.161.191.451.360.970.600.500.310.330.680.541.531.541.071.151.531.251.411.310.920.811.181.21
N.epsilon.-Methyl-lysineME3847970.770.790.480.440.940.981.261.310.550.581.451.460.750.720.400.410.840.790.710.750.420.450.750.931.010.940.590.611.061.051.641.790.850.861.751.991.301.370.790.901.501.591.050.690.750.450.470.770.771.411.640.890.941.771.731.201.470.800.801.341.37
Stachydrine isomerME3848640.950.950.550.611.121.251.331.210.560.611.471.460.670.610.360.360.710.710.630.630.380.350.690.831.030.870.600.570.971.021.561.480.800.801.451.661.451.470.870.921.561.631.080.991.040.580.581.221.301.301.460.760.771.601.481.311.390.820.761.251.34
H-gamma-glutamyl-glutamineME3847610.961.100.501.520.891.341.731.651.202.281.303.271.241.020.671.311.021.680.871.020.601.100.861.821.251.540.661.030.941.730.520.720.281.010.380.550.980.950.481.030.571.960.810.620.730.450.760.470.700.560.870.341.010.550.561.061.190.550.880.811.37
N5-(1-Imino-3-butenyl)-ornithineME3847981.110.740.370.950.800.891.071.540.370.391.060.751.631.840.410.411.451.211.201.820.290.441.140.651.221.210.301.410.921.391.670.790.340.940.830.860.981.750.961.391.120.691.031.691.770.310.410.970.821.230.990.300.990.891.011.591.070.302.010.791.42
3-HydroxybutyrylcarnitineME3846511.741.490.640.881.181.641.391.360.690.821.021.481.130.970.430.530.931.111.341.360.580.590.931.211.271.080.790.890.750.971.161.170.811.020.691.360.961.080.831.160.550.991.050.831.050.720.790.681.030.981.270.790.960.721.160.971.500.670.900.691.01
Glycerophosphocholine isomer AME3847541.121.150.390.790.961.361.281.470.620.801.271.331.061.310.360.481.251.371.011.220.420.521.061.011.631.770.991.171.421.670.700.980.450.900.620.821.391.660.520.971.121.430.891.051.360.440.521.191.480.821.170.480.900.691.151.001.330.330.790.941.09
sn-Glycero-3-phosphocholineME3848611.121.140.330.760.901.361.371.580.570.841.331.541.061.440.320.471.241.450.971.250.360.510.971.041.621.660.881.231.311.690.600.910.390.910.510.841.311.610.431.050.961.441.090.981.470.410.591.151.560.681.140.420.880.601.110.941.410.270.760.821.10
PhenylacetylglycineME3848410.741.580.791.470.700.950.982.260.921.560.691.330.921.170.921.680.681.320.891.170.791.280.781.120.651.070.801.330.571.290.511.080.721.320.401.070.641.220.851.220.661.280.930.651.220.641.530.601.220.880.940.701.340.531.030.691.071.011.280.521.12
Cys-GlyME3847151.261.170.461.640.651.571.581.960.641.580.861.021.521.750.761.651.421.241.271.830.561.500.940.730.951.130.401.640.500.830.570.750.391.330.220.731.031.400.431.430.490.490.870.741.640.320.980.721.520.630.910.431.380.390.711.021.440.411.630.540.98
Glutathione (reduced)ME3847501.251.240.591.540.761.461.511.810.631.470.861.001.451.720.771.631.371.281.381.800.661.481.000.800.981.120.481.580.600.920.630.760.471.230.320.740.991.280.481.430.520.530.850.761.580.411.020.751.450.610.880.511.250.450.710.971.390.501.520.580.95
Butyrylcarnitine or IsobutyrylcarnitineME3846231.021.440.561.610.822.041.342.270.440.771.341.760.611.210.370.780.690.980.791.520.501.030.500.941.121.790.491.120.741.300.541.020.271.140.511.310.841.830.391.170.390.931.020.421.240.480.700.420.930.541.630.381.470.361.560.802.360.581.850.941.01
P-Toluenesulfonic acidME3848510.791.200.581.810.771.681.292.150.721.381.001.410.850.960.330.820.740.930.490.530.440.720.580.580.821.050.531.380.530.870.941.270.802.400.971.570.971.190.861.380.551.000.960.480.700.520.910.620.710.821.300.771.880.951.330.811.431.052.300.850.93
N-Methylglutamic acidME3848161.230.620.700.910.720.742.372.180.871.102.381.732.171.631.181.481.701.841.160.950.951.050.890.711.220.800.670.790.910.820.830.670.790.850.520.570.720.611.001.230.610.631.041.000.931.281.580.930.840.530.570.610.710.560.440.750.640.910.920.570.51
Inosine 5^-monophosphate isomerME3847730.650.340.600.810.140.441.280.780.751.310.991.031.871.191.542.511.371.591.811.012.022.061.250.981.190.731.771.950.590.890.420.350.451.180.160.430.750.640.821.830.260.571.010.710.821.291.940.871.120.440.430.621.300.180.360.950.761.782.010.480.58
Adenylosuccinic acidME3846810.840.220.350.450.100.312.601.180.771.001.431.602.021.191.171.341.361.302.791.341.571.311.661.071.830.771.210.790.740.830.700.430.801.140.260.511.461.100.581.280.220.901.070.600.970.850.800.650.730.780.560.811.100.380.481.880.951.161.090.730.55
Adenosine monophosphateME3846800.500.510.390.610.150.491.801.720.641.221.061.781.391.870.831.351.201.591.581.850.931.691.051.201.251.321.041.530.621.140.520.730.491.280.300.810.981.510.481.650.340.951.000.531.270.460.720.601.050.580.910.641.430.300.721.091.290.951.680.590.89
Guanosine 5^-monophosphateME3847580.780.430.610.750.180.581.701.240.971.331.071.271.621.321.201.541.341.311.661.331.411.481.251.001.410.981.331.290.730.970.570.470.540.960.220.521.141.020.711.260.330.741.000.911.621.121.600.931.370.680.620.761.000.270.551.180.961.221.250.660.73
3-MethylcrotonylglycineME3846531.180.460.900.560.920.670.630.510.640.420.810.610.750.790.930.600.970.820.820.660.930.590.680.732.151.122.290.761.691.900.490.400.850.260.440.651.361.231.670.681.481.721.581.741.781.391.071.540.830.560.610.750.370.451.341.370.821.490.461.010.77
gamma-Aminobutyric Acid (GABA)ME3847351.300.620.700.970.960.970.880.540.510.690.770.690.820.610.700.670.750.690.790.620.720.600.680.611.591.211.441.501.411.450.660.610.620.590.540.631.311.141.351.391.211.290.982.051.921.651.662.292.130.720.840.560.680.710.751.191.151.070.980.970.96
.gamma.-Aminobutyric acidME3846261.360.610.720.910.970.940.820.510.490.630.730.660.780.580.670.640.740.650.770.600.690.580.690.601.681.251.451.491.481.470.670.600.610.580.530.611.351.201.391.381.241.301.012.131.951.671.632.332.150.720.830.550.640.700.731.201.121.110.970.990.96
N-Methylalanine isomer AME3848141.340.610.720.940.960.950.820.520.490.640.730.670.770.590.670.650.740.660.770.600.700.590.690.611.661.241.431.511.441.480.670.600.620.580.540.611.341.201.361.391.221.311.012.081.961.621.642.292.150.730.840.550.650.710.751.191.141.100.990.990.97
Lys-GluME3847831.090.220.681.340.390.631.320.580.820.621.140.421.420.360.721.781.080.741.640.311.720.741.160.242.110.401.712.021.500.741.160.451.701.150.510.370.970.442.281.701.490.591.161.240.400.970.981.270.361.170.251.130.890.960.421.280.541.572.140.600.56
Pro-GlnME3848461.680.661.050.930.670.990.760.430.900.650.560.511.410.701.040.780.890.841.470.811.820.731.510.771.310.711.651.021.040.671.050.682.000.760.530.850.890.483.231.011.270.641.231.180.540.640.530.850.561.190.551.230.651.090.411.110.603.180.780.690.68
Pro-AlaME3848441.170.480.860.560.280.640.890.450.950.690.470.502.010.860.990.981.140.831.730.871.970.521.720.522.031.121.271.611.211.161.070.781.430.890.490.831.200.702.800.961.260.681.061.280.570.560.430.820.651.320.650.810.771.390.571.130.732.280.830.640.68
Pro-AsnME3848451.700.620.800.820.490.900.970.470.780.720.610.632.171.271.141.161.191.121.931.261.600.991.600.801.590.721.731.750.810.720.840.501.210.980.410.421.090.522.281.350.850.581.071.370.770.520.520.930.710.920.500.900.880.850.311.260.801.781.230.620.72
2,6-Diaminopimelic acidME3846341.280.541.821.700.720.700.330.150.470.520.240.191.510.992.091.700.970.891.260.721.531.440.630.500.990.601.131.320.530.492.571.220.990.651.420.660.810.521.251.411.140.871.091.040.691.391.280.850.671.830.871.150.771.310.761.000.741.201.210.730.58
4-Hydroxynonenal alkyneME3846641.120.731.200.960.880.830.710.863.330.610.850.691.300.831.131.111.210.931.010.742.300.840.810.781.020.951.610.511.160.820.990.600.960.641.210.871.070.861.230.811.210.670.810.910.701.160.551.470.651.040.652.710.531.070.740.860.931.351.021.020.68
2-Methoxy-4-vinylphenolME3846430.820.860.832.280.840.820.760.870.901.330.810.830.810.830.862.620.840.830.820.810.861.490.840.860.830.840.831.640.810.830.880.850.851.200.901.130.830.850.851.460.860.840.980.810.840.861.980.840.860.870.900.851.290.871.310.840.870.821.810.840.90
4-Guanidinobutyric acidME3846600.820.561.281.380.610.591.310.961.572.080.940.900.610.400.910.920.440.350.670.531.221.240.470.460.850.631.601.660.670.580.930.711.892.090.680.810.910.661.992.200.690.631.010.710.580.780.750.620.550.880.811.912.020.810.630.930.932.092.130.740.69
N8-AcetylspermidineME3848000.560.671.261.240.710.760.720.731.141.450.730.970.480.560.830.930.710.750.580.641.001.190.810.960.600.610.941.200.670.730.700.881.681.960.961.180.450.541.341.590.550.631.280.790.971.121.151.131.260.870.932.402.441.030.990.470.641.721.730.590.73
PutrescineME3848520.510.680.910.950.550.610.560.640.990.960.610.630.520.690.850.910.590.640.530.630.861.000.600.700.580.730.981.230.630.710.941.181.581.931.141.380.700.831.631.900.780.911.171.201.361.481.491.231.480.971.061.772.021.151.180.580.771.481.560.700.83
OrnithineME3848300.720.761.471.890.730.710.600.601.090.930.700.610.680.691.120.990.720.670.860.811.100.940.760.830.910.831.361.730.790.760.730.841.302.010.720.790.650.641.181.350.610.691.161.071.011.431.401.231.110.730.781.211.910.740.650.730.791.242.790.680.77
Prolinamide isomer BME3847950.720.781.472.140.610.790.480.671.050.980.700.600.680.671.100.970.710.630.840.921.110.860.630.880.910.821.391.860.720.800.680.731.392.140.630.810.610.661.201.560.560.641.190.930.891.381.231.180.930.700.841.372.190.580.700.650.771.283.010.520.78
Erythro-SphinganineME3847210.790.880.942.760.660.760.730.800.921.310.630.770.860.970.901.240.770.890.780.950.981.610.800.850.730.890.961.670.730.900.640.820.911.990.620.800.740.841.011.710.750.841.210.770.850.851.170.820.810.660.730.872.660.620.760.880.811.012.150.680.75
Isovaleryl-carnitineME3847751.040.911.262.010.771.121.020.950.791.080.700.980.750.560.831.510.550.590.700.740.951.470.470.690.890.860.801.250.590.800.820.961.032.090.561.090.690.720.941.780.410.611.000.711.070.841.190.660.920.791.011.382.490.500.850.921.281.622.960.650.84
EthyldiethanolamineME3847341.170.790.740.750.921.031.380.570.750.520.620.640.891.360.830.741.010.641.051.870.880.830.900.811.390.780.870.490.800.820.750.770.980.561.301.030.880.680.880.560.630.722.170.781.740.830.612.960.770.880.790.780.590.950.650.970.641.140.640.950.73
Hexose phosphate isomer DME3847430.830.690.690.510.660.750.820.870.560.300.980.451.171.290.750.551.010.711.681.521.180.881.550.901.551.041.210.951.041.031.531.262.250.731.411.251.291.210.921.071.720.550.830.921.070.620.450.921.231.640.952.120.731.421.181.060.630.650.740.660.60
PhenethylamineME3848401.240.830.930.811.130.791.750.740.860.751.100.813.120.830.870.771.120.852.060.790.880.751.030.791.210.750.900.770.960.811.130.800.830.761.050.791.850.840.910.811.070.871.032.210.730.860.750.880.751.150.800.910.771.010.791.200.760.930.801.000.81
9(10)-Epoxy-12Z-octadecenoic acidME3846750.840.921.020.980.830.931.000.800.880.940.921.020.940.850.881.700.831.110.840.790.740.891.000.940.830.850.790.900.820.810.871.011.080.620.910.701.010.950.740.840.781.021.491.000.920.940.920.873.491.130.840.840.940.840.930.871.020.960.990.970.90
N-α-Methyl-lysineME3847960.940.830.711.050.710.850.750.800.990.890.753.050.760.730.800.901.070.910.800.701.160.840.770.740.791.041.052.010.970.881.081.031.061.450.820.840.860.910.871.230.781.101.290.810.920.941.170.980.960.700.900.901.720.900.880.860.921.061.000.790.87
2-Aminoadipic acidME3846381.010.831.650.661.130.650.740.701.070.721.020.861.391.581.901.351.541.791.611.522.061.431.381.770.960.491.200.380.890.890.590.491.170.310.590.740.710.561.150.400.831.071.490.930.811.210.830.730.390.560.471.020.540.521.150.910.531.240.390.720.77
Glycerophosphocholine isomer BME3847551.491.111.151.031.241.060.600.480.600.720.660.641.981.131.221.181.531.441.150.830.890.711.111.011.210.881.211.041.030.851.030.920.981.120.750.880.740.640.951.140.770.791.380.880.560.800.780.880.710.780.790.890.920.730.691.301.141.371.080.950.95
o-PhosphocolamineME3848291.801.441.461.571.641.410.570.420.680.730.540.431.791.371.611.761.471.451.231.011.191.011.040.821.581.051.441.381.191.070.620.500.650.660.410.430.950.821.111.090.750.721.031.010.821.050.981.030.840.710.600.700.710.560.481.090.791.150.940.800.75
LaminineME3848081.561.531.321.451.441.390.910.740.690.780.820.761.841.641.561.681.741.761.651.441.371.311.461.330.950.770.911.020.730.790.490.450.530.580.340.420.820.760.870.920.720.781.041.211.071.021.021.201.110.530.510.530.620.440.450.880.810.960.900.700.76
SerineME3848591.521.251.201.241.311.101.000.790.750.740.930.831.821.511.291.461.611.411.641.371.341.191.511.221.030.730.930.920.860.730.850.680.990.640.700.710.690.521.070.830.840.621.030.860.760.880.910.960.770.830.640.870.660.830.561.000.891.311.000.870.85
N-Methylanthranilic acidME3848151.121.090.800.980.820.721.180.931.830.891.120.980.981.432.231.161.021.181.061.391.331.291.121.061.460.720.740.810.800.771.581.311.301.340.890.830.981.150.820.980.690.970.620.851.970.650.620.820.860.870.860.610.790.880.631.170.851.291.010.590.73
Gln-GlnME3847401.700.561.210.721.190.591.820.691.550.931.490.851.790.831.720.831.301.091.360.561.460.750.960.571.480.501.711.231.010.601.160.491.110.580.610.591.090.431.410.891.200.561.051.740.761.921.341.450.781.030.320.870.690.750.341.310.470.900.770.660.47
Histidine isomer BME3847671.250.641.350.671.010.711.590.841.471.101.481.071.270.611.341.041.130.901.470.691.560.731.100.911.300.721.330.870.980.780.830.551.270.610.650.580.920.601.410.990.870.771.231.300.731.541.021.400.880.760.581.100.700.740.401.050.731.550.780.850.74
EpigallocatechinME3847321.290.971.360.501.010.641.660.961.781.021.631.541.591.001.520.911.241.351.580.841.610.601.221.281.160.781.190.430.900.840.650.520.880.330.340.320.980.760.970.570.631.031.201.691.081.641.231.751.180.640.550.900.330.510.451.030.641.180.360.810.64
Glutathione (oxidized)ME3847491.290.911.470.591.130.711.530.951.610.981.561.331.370.881.450.841.231.121.440.841.370.681.141.161.200.831.110.560.970.780.710.570.880.440.510.431.000.830.980.610.751.041.281.661.061.531.131.621.180.680.600.850.430.590.491.020.721.100.480.850.74
α-Galactosamine-1-phosphateME3846861.430.911.611.311.260.900.490.240.540.280.540.341.180.761.621.231.220.871.210.891.501.041.280.831.180.751.861.341.220.660.930.611.020.660.870.690.960.701.751.171.130.781.080.740.521.090.680.970.640.920.621.000.750.950.571.471.142.031.401.330.98
3-MethylcytidineME3846541.551.502.091.832.181.170.740.510.990.820.700.540.600.420.950.730.660.570.960.731.130.861.160.880.960.621.020.901.020.680.880.591.230.650.970.720.950.711.571.041.531.021.031.330.761.441.071.550.880.860.740.950.721.110.661.080.901.420.891.220.90
S-Adenosyl-homocysteineME3848551.571.491.711.491.671.270.940.821.151.001.200.970.830.610.990.670.850.840.780.570.930.610.790.671.280.941.621.141.241.001.010.831.000.800.820.740.810.751.261.031.040.761.010.910.721.190.850.990.811.000.871.110.940.980.741.210.881.280.941.050.99
1-Cycloheptyl-4-piperidinamineME3846310.840.971.320.181.061.190.841.041.361.381.121.010.760.761.251.320.971.100.800.921.271.230.981.020.980.971.350.211.181.110.920.891.320.301.171.170.960.901.380.331.141.051.060.840.801.321.300.940.950.971.001.270.231.101.250.830.901.420.201.221.14
HomoarginineME3847691.030.491.051.000.980.520.930.341.101.120.721.860.850.281.161.150.820.300.980.431.131.170.820.391.300.541.581.651.080.541.310.571.551.271.020.601.200.671.521.601.110.621.131.060.531.161.161.020.591.310.821.471.521.190.521.340.711.581.391.040.60
LysineME3847850.950.741.291.110.900.670.680.531.201.070.690.510.910.701.221.100.880.670.990.741.241.000.930.741.110.771.621.670.960.681.010.811.491.340.830.810.830.661.471.370.930.721.081.010.751.291.261.030.811.030.811.421.350.980.631.040.901.611.440.910.79
3-DehydrocarnitineME3846500.530.440.580.610.520.641.451.441.501.471.301.930.440.520.410.460.540.530.660.540.660.550.580.640.940.871.201.120.871.051.091.261.581.560.991.291.111.061.391.400.951.131.360.900.730.940.720.800.741.101.251.601.611.051.200.801.001.201.090.760.85
N-MethyllysineME3848190.870.751.141.030.860.780.920.740.710.740.900.870.660.510.770.840.620.560.660.500.890.820.590.631.040.771.171.150.850.781.321.191.371.401.061.251.211.061.521.451.141.231.020.860.711.070.950.860.831.161.101.481.521.281.021.191.141.741.531.071.08
CarnitineME3847041.000.690.930.780.830.781.681.411.281.431.601.470.780.550.760.730.730.570.840.690.950.830.820.731.180.921.181.121.000.961.231.141.361.290.961.031.020.801.411.320.900.801.010.760.680.941.030.780.661.161.031.301.301.030.821.010.921.351.110.820.78
(2R)-3-HydroxyisovaleroylcarnitineME3846200.870.710.960.880.710.781.291.051.221.281.061.130.800.610.810.850.660.640.720.660.940.840.600.671.040.801.231.110.770.791.401.221.681.631.001.291.120.921.621.520.860.911.030.630.610.750.740.570.551.171.131.701.580.960.951.051.071.631.370.840.85
Histidine isomer AME3847660.860.710.950.810.830.901.141.041.151.241.111.120.880.720.940.890.850.850.850.760.980.870.820.920.950.761.071.050.830.881.161.101.411.331.011.240.970.931.331.291.021.051.050.690.640.810.830.740.701.061.101.401.321.101.091.021.071.391.230.951.04
N,N-DimethylarginineME3847910.850.761.000.880.870.771.270.961.911.401.460.970.950.701.191.001.010.820.940.761.410.960.950.751.000.761.221.130.900.770.750.681.070.870.760.720.850.721.201.031.080.850.991.351.121.791.531.571.270.840.730.880.890.980.670.910.811.120.920.960.86
S-Adenosyl-methionineME3848560.850.650.870.810.700.801.470.921.020.961.060.761.200.781.111.111.190.881.130.750.920.920.970.750.980.820.840.680.790.621.170.821.051.060.770.761.300.981.091.090.920.850.931.891.451.731.551.881.481.040.831.130.980.930.641.140.951.090.910.900.64
5^-MethylthioadenosineME3846710.920.600.951.110.390.530.740.741.221.080.971.000.860.821.301.030.881.060.770.761.250.930.790.681.160.511.111.300.550.721.240.871.031.180.550.750.780.791.411.680.880.791.121.151.232.111.631.331.391.110.691.341.170.600.631.210.681.441.420.610.96
5^-Methylthioadenosine isomerME3846720.820.540.871.140.340.510.770.741.381.260.940.990.740.761.291.010.821.020.680.741.230.900.720.611.100.471.091.410.510.691.150.861.111.300.510.740.730.751.551.890.860.691.071.141.232.321.771.371.451.100.711.381.310.580.591.210.691.501.520.580.98
N-α-Acetyl-ornithineME3847940.990.841.291.420.810.810.930.781.201.390.860.821.100.951.611.680.990.980.950.861.401.340.870.771.050.821.701.670.820.780.670.591.001.110.520.600.720.651.321.370.630.611.041.050.991.821.901.050.900.640.641.021.070.530.480.810.731.351.350.630.61
ProlineME3848470.890.691.271.090.810.680.940.661.231.230.900.791.100.861.371.320.980.930.920.711.340.970.910.740.980.691.311.220.890.790.780.651.330.820.690.710.760.621.651.120.910.721.011.381.202.252.221.251.060.790.611.050.850.860.540.880.741.661.040.800.77
Glutamic acid isomer BME3847451.001.050.850.820.710.932.521.260.981.241.351.221.321.120.931.201.121.161.411.190.981.011.151.090.980.821.690.720.780.820.860.751.010.640.690.981.020.921.000.790.740.860.991.170.940.710.850.830.880.840.770.850.650.661.641.151.020.900.880.770.83
N-OleoylethanolamineME3848230.820.500.700.730.650.741.041.300.991.160.960.970.990.981.041.152.161.091.151.221.350.800.660.771.271.011.360.800.771.161.020.550.860.910.841.171.220.641.061.321.310.500.840.920.950.740.921.410.811.451.000.860.730.851.760.961.031.051.140.951.53
5.beta.-DihydrotestosteroneME3846670.911.421.041.080.981.220.910.990.710.681.391.430.581.010.890.960.720.971.080.860.731.011.260.840.950.930.791.000.940.620.621.790.820.931.130.810.971.530.950.590.851.031.431.211.020.851.110.900.890.661.041.020.931.260.651.190.910.860.770.870.73
TributylamineME3848821.190.621.321.031.071.001.200.741.120.950.980.711.270.761.431.051.310.951.230.911.051.030.911.041.130.981.210.620.981.281.500.851.111.121.081.061.141.030.881.391.580.620.531.020.771.310.621.141.231.300.681.210.651.290.811.110.970.880.651.111.22
TripropylamineME3848851.300.831.511.070.881.391.090.671.050.991.090.701.180.741.240.941.270.951.111.031.241.190.770.940.981.120.920.661.011.531.650.981.011.031.131.001.210.910.681.221.420.690.541.180.871.270.541.080.981.080.991.280.770.890.761.151.240.810.911.041.23
DiethanolamineME3847770.760.911.021.100.781.400.670.780.820.910.910.800.760.720.950.920.961.170.810.841.210.950.881.341.341.261.090.750.901.711.280.920.971.201.011.200.880.950.791.370.870.851.080.731.080.900.660.761.690.801.031.250.880.960.950.821.100.951.150.911.28
ThymolME3848780.830.700.941.050.831.811.110.860.771.000.920.621.080.600.901.020.950.861.120.990.880.950.951.220.861.491.030.500.821.931.070.940.831.691.111.171.181.130.651.661.100.640.951.170.841.040.560.862.040.850.770.940.931.040.750.800.980.980.690.861.44
N-AcetylmethionineME3848050.890.520.990.860.790.390.940.561.140.930.950.591.461.111.471.191.731.241.340.931.731.001.731.021.210.701.361.091.220.811.100.911.560.840.740.610.660.431.931.051.290.581.071.130.681.130.951.510.990.970.521.100.771.110.350.810.461.550.680.690.67
Thiamine cationME3848740.990.611.250.890.820.660.960.561.271.011.060.661.210.881.521.181.240.921.080.791.360.971.010.681.481.001.941.411.311.040.980.741.450.910.810.681.050.772.001.261.120.901.011.060.781.310.991.130.720.810.621.100.850.820.590.800.571.320.800.670.59
2,5-HexanedioneME3846331.500.901.080.910.630.660.891.300.900.601.040.991.050.960.991.130.461.460.961.000.910.840.990.910.951.220.880.831.430.700.540.751.001.020.601.010.700.860.980.620.781.631.330.900.941.101.261.410.801.061.200.891.370.771.321.090.730.651.231.130.91
TriethanolamineME3848830.720.891.310.780.820.900.901.201.720.781.270.961.030.831.450.761.360.960.980.881.160.751.131.040.770.971.490.680.870.920.740.981.010.720.990.840.711.001.101.001.211.011.060.810.821.560.702.120.840.720.951.550.730.940.890.800.950.960.760.981.06
Glutamic acid isomer AME3847441.071.080.941.080.820.941.351.280.971.281.161.341.501.381.151.381.321.391.341.291.131.221.181.150.980.840.741.010.730.820.860.800.710.890.630.760.910.930.721.000.760.811.040.890.990.740.970.850.910.870.880.790.920.720.721.031.050.941.080.850.95
Glutamic acid isomer CME3847461.120.950.861.120.730.941.501.400.941.361.251.371.511.321.091.461.261.281.461.401.091.181.251.091.020.860.731.030.740.840.800.780.680.960.540.720.950.990.721.060.660.821.021.081.010.750.960.870.890.780.830.731.000.670.661.081.080.931.170.730.84
AlanineME3846841.140.961.091.081.020.981.291.081.061.131.251.171.231.041.141.111.151.111.291.201.341.211.251.130.930.740.860.860.810.790.950.850.980.910.820.840.940.811.021.000.930.871.020.940.881.020.970.980.890.900.840.930.890.930.750.970.931.070.930.870.85
HomocysteineME3847701.060.921.000.981.100.881.651.291.271.201.641.251.230.851.030.961.121.021.201.071.190.951.201.050.990.890.990.720.970.740.920.780.860.890.820.761.140.941.070.921.030.971.060.840.660.810.800.850.770.980.861.050.890.920.851.140.991.050.920.990.85
CreatineME3847111.030.900.890.970.890.971.581.421.201.421.441.551.171.010.981.081.061.061.161.141.131.111.071.060.940.770.820.890.790.840.910.850.860.940.730.871.000.931.021.100.911.001.020.810.840.830.900.850.870.890.920.880.960.860.851.031.031.061.040.850.93
Creatine isomerME3847121.030.910.880.990.860.961.561.411.191.431.431.551.170.990.961.091.031.081.161.121.121.121.061.060.940.780.820.890.780.830.930.870.860.940.720.910.990.931.031.120.911.011.030.810.830.820.900.840.890.920.970.880.960.860.871.011.031.091.030.830.92
Cytidine 5^-diphosphocholineME3847191.161.091.271.360.940.991.301.071.221.371.101.141.251.001.221.391.091.081.101.011.241.131.010.890.900.741.001.010.700.680.780.731.011.150.470.680.800.801.011.040.630.711.021.201.191.381.611.131.260.720.671.121.090.550.590.790.771.261.060.610.65
Uridine-5-diphosphoacetylgalactosamineME3848900.990.801.191.190.730.811.321.091.421.661.061.011.321.091.261.371.081.071.050.961.241.170.980.770.920.791.101.010.720.680.740.710.951.150.490.680.910.781.021.210.680.721.001.291.331.491.731.271.220.710.671.061.090.580.630.820.771.101.110.630.64
N-MethylhistidineME3848170.921.280.970.960.891.010.991.470.941.050.991.090.951.341.111.031.001.160.941.311.030.940.921.050.951.241.141.100.851.100.721.030.810.750.640.850.791.121.000.980.800.871.030.981.541.311.181.021.110.701.100.790.770.720.800.851.201.061.000.730.89
3-MethylhistidineME3846551.041.031.000.991.001.061.031.100.951.021.131.031.131.191.131.161.191.181.051.141.161.031.050.991.041.061.231.110.981.040.750.790.860.730.680.790.840.911.050.990.840.861.140.991.191.231.231.101.090.720.840.800.760.710.740.890.991.050.940.830.87
Glutamine isomerME3847481.291.001.000.981.091.131.311.081.071.071.171.191.261.121.151.091.201.211.160.971.090.961.040.941.180.881.201.150.901.000.790.730.780.820.580.800.950.791.151.100.790.851.011.191.131.311.241.131.110.770.740.760.790.690.710.980.840.970.900.740.85
Pyroglutamic acid isomerME3848541.281.001.050.991.091.121.341.051.051.091.141.201.391.151.141.141.271.301.251.031.140.971.081.001.160.861.201.150.920.960.770.650.770.790.550.740.950.801.081.050.780.781.031.191.131.231.171.161.130.770.690.790.750.640.670.990.840.970.890.740.83
Cytidine 5^-diphosphate ethanolamineME3847181.371.221.371.441.131.200.920.740.991.090.770.741.361.171.361.401.241.231.301.141.301.311.191.061.080.871.141.110.900.830.700.680.811.030.410.620.890.781.081.120.670.791.020.920.940.961.040.960.970.760.720.961.010.560.620.980.921.261.180.780.82
GlutamineME3847471.230.941.331.121.170.961.200.841.191.151.040.971.350.971.501.431.151.071.220.881.491.181.070.930.880.621.301.020.770.680.890.660.980.810.650.810.840.571.431.020.770.710.971.250.891.701.491.090.890.850.610.960.770.720.620.990.681.320.980.790.75
PhosphocholineME3848421.391.181.431.251.311.041.120.911.111.301.030.851.200.911.181.151.020.971.170.951.301.091.131.041.180.821.211.150.990.890.890.710.890.760.640.730.920.711.070.940.840.711.011.080.921.281.351.010.850.870.760.840.800.830.661.010.791.250.990.830.77
CaffeineME3847030.620.651.200.770.900.770.921.001.050.871.001.230.690.871.090.780.880.801.170.901.230.951.270.921.320.801.610.970.871.180.860.870.810.921.051.240.811.051.071.030.850.921.170.871.051.080.791.221.070.990.961.120.650.930.930.821.061.131.750.761.18
2-ArachidonoylglycerolME3847301.060.811.061.271.180.751.471.001.051.181.441.101.090.701.051.041.210.761.250.791.101.081.190.621.130.821.101.231.280.801.090.881.030.870.960.671.160.881.391.081.280.750.960.730.480.900.910.840.610.990.900.890.921.130.751.221.041.171.021.150.89
gamma-Glutamylglutamine isomer BME3847360.960.630.721.180.640.561.300.770.941.221.150.741.380.891.241.571.220.991.150.751.071.410.910.621.240.831.001.170.860.721.360.961.341.230.800.861.090.961.101.321.330.781.061.000.710.791.440.940.781.160.701.051.131.020.671.060.720.941.110.810.67
AminophenolME3846401.240.671.090.951.580.791.440.751.080.661.011.091.230.800.820.780.940.731.200.811.290.951.030.671.170.621.420.800.910.590.940.501.480.871.140.651.160.681.640.751.190.851.091.430.751.490.971.130.741.060.681.120.941.100.741.300.721.580.991.020.77
4-Hydroperoxy-2-nonenalME3846611.250.711.010.981.100.700.740.981.580.580.781.161.320.951.091.101.260.821.160.861.290.920.870.980.830.821.430.791.390.770.960.911.220.781.121.100.990.991.030.801.180.821.040.910.931.280.821.630.651.030.831.200.661.150.950.810.811.420.990.890.69
Tryptophan isomerME3848861.020.911.020.891.120.921.020.881.000.831.100.860.960.890.980.911.090.900.920.901.020.901.060.901.030.921.170.921.140.911.091.001.640.941.151.031.010.921.370.911.250.900.880.950.871.040.871.130.851.100.851.330.881.250.911.070.861.440.891.120.91
2-Amino-1-phenylethanolME3846371.200.781.160.831.130.800.960.661.040.741.050.721.090.731.150.811.090.850.970.671.270.701.050.761.240.821.471.051.250.851.220.821.860.741.130.890.900.631.760.921.460.770.970.970.681.100.831.090.761.240.681.450.801.280.621.180.761.820.841.170.87
N-MethylvalineME3848211.050.751.030.761.030.720.810.650.990.740.960.711.050.771.040.771.080.890.900.661.210.661.040.791.310.851.391.031.420.941.190.931.780.811.240.950.910.711.670.971.530.881.000.990.811.130.871.160.921.190.721.400.851.310.751.070.801.620.841.080.90
MethionineME3847881.210.741.121.000.980.741.110.841.101.041.020.751.250.881.201.081.070.871.150.791.360.991.040.761.240.781.371.131.090.791.140.841.560.830.910.730.920.681.591.101.320.750.961.050.801.171.181.040.731.120.691.310.801.090.551.050.731.560.900.900.70
1,5-PentanediamineME3846280.990.821.120.811.000.760.920.721.080.791.040.761.120.861.160.811.140.890.950.811.360.701.060.841.190.901.391.041.160.911.000.841.470.761.000.840.900.741.640.941.270.831.041.080.991.260.991.311.021.010.751.200.851.100.671.030.891.560.880.990.88
IsoleucineME3847740.950.801.070.880.970.750.880.751.030.870.950.811.060.891.150.911.070.940.910.821.270.781.020.851.160.901.311.181.100.940.980.881.360.870.940.880.920.821.631.171.160.911.031.000.961.150.951.190.980.960.811.160.981.010.710.990.951.571.050.990.93
AsparagineME3846991.140.961.141.070.970.880.750.610.950.890.750.551.201.101.321.181.121.031.030.891.220.901.020.751.220.871.331.321.090.921.141.011.311.190.890.970.970.871.361.251.050.800.980.960.891.161.101.050.921.010.930.971.060.960.800.920.781.081.010.770.74
CholineME3847071.080.851.130.931.050.760.940.590.850.920.930.691.020.711.040.930.880.720.930.651.050.790.880.761.170.891.351.211.160.931.181.001.301.131.010.931.120.791.501.211.210.991.041.070.651.271.181.030.711.120.901.221.091.120.801.150.901.331.051.050.99
α-Lonone or β-DamasconeME3846240.920.751.130.450.780.730.691.031.261.050.980.771.060.911.150.821.301.260.981.081.640.870.870.731.470.981.680.821.031.050.780.791.040.851.011.101.000.611.241.051.210.700.951.190.880.951.231.381.001.441.021.030.820.780.940.850.951.290.971.140.73
10-Hydroxy-2-decenoic acidME3846290.910.671.030.681.100.810.880.761.390.920.960.751.370.831.191.001.090.921.210.901.470.710.890.661.111.041.320.731.121.140.990.801.010.851.161.091.080.791.130.911.260.701.131.230.871.300.741.091.091.410.851.050.761.240.660.960.741.260.771.260.77
Benzyl alcoholME3847001.070.820.930.781.120.771.030.891.360.811.040.891.201.010.981.000.991.121.161.001.230.880.960.741.021.121.200.881.100.930.800.851.060.921.190.960.900.901.150.970.960.911.151.100.870.990.921.040.951.370.941.060.801.100.890.990.831.100.890.950.84
13-Keto-9Z,11E-octadecadienoic acidME3846300.990.971.050.770.890.650.911.060.920.990.990.951.470.651.061.000.910.831.171.150.861.180.890.720.881.201.260.730.870.801.580.731.010.511.020.771.280.791.020.711.101.091.271.320.781.240.971.551.080.931.091.000.770.940.670.891.061.060.851.310.76
PhencyclidineME3848390.750.860.710.710.950.920.641.030.981.070.840.711.141.011.060.980.921.250.661.170.910.930.610.810.901.510.941.000.751.120.710.840.851.080.901.120.740.700.971.051.070.791.970.840.930.720.940.841.301.420.940.820.900.940.760.691.020.820.780.840.90
1,5-Hexadien-3-olME3846270.960.830.960.760.900.860.740.961.290.911.160.761.301.001.070.971.081.160.851.041.130.830.750.791.031.261.130.910.860.971.120.810.910.891.010.991.030.761.020.921.090.811.470.960.910.860.880.931.141.440.851.080.771.040.750.800.951.050.870.900.83
N-CyclohexylformamideME3848060.840.900.770.860.901.000.711.061.121.040.920.861.201.061.031.020.991.200.871.150.990.950.780.840.981.351.011.090.841.050.920.980.951.001.031.190.870.821.051.081.170.881.180.920.990.901.030.951.271.360.941.010.960.990.870.791.070.970.890.860.98
GuanylureaME3847590.940.971.040.980.870.900.981.010.931.010.861.030.910.910.861.030.890.981.031.040.971.020.981.030.961.130.951.070.940.930.901.061.941.010.981.041.011.060.891.011.030.880.950.970.960.960.950.871.540.971.041.201.010.991.010.961.000.891.100.990.94
SpermidineME3848620.921.210.991.170.881.200.861.031.031.060.921.110.851.130.921.220.911.060.701.130.891.020.901.090.941.200.860.971.001.031.061.370.911.180.991.150.871.120.971.340.961.140.870.881.070.891.080.901.160.970.930.921.010.831.000.830.980.921.040.911.11
2-AcetylpyrazineME3846360.860.880.860.960.810.961.051.051.041.150.921.080.971.110.910.970.920.950.931.060.951.060.931.000.940.911.431.090.861.040.961.041.011.050.861.100.880.970.921.140.871.011.030.911.000.811.071.281.000.981.041.051.100.891.060.901.310.981.120.891.03
2-AminoethanethiolME3846391.180.930.990.901.020.771.210.950.930.931.161.031.220.931.040.911.070.861.231.051.020.871.110.901.280.971.040.941.010.951.100.860.870.900.830.851.130.961.011.001.041.060.991.101.011.010.881.141.021.010.930.980.930.940.881.241.031.060.891.050.93
NicotinamideME3848111.110.930.960.880.990.761.190.940.910.911.131.061.160.961.000.911.050.881.171.011.010.911.060.941.200.981.041.011.040.961.070.940.920.940.860.911.130.991.061.091.051.080.971.040.980.930.881.121.011.010.980.980.970.930.891.201.071.090.971.010.95
4-HydroxyhexenalME3846621.070.851.260.970.900.830.991.001.090.920.970.831.191.060.961.050.941.151.010.981.020.900.910.800.941.211.010.891.070.940.890.900.920.970.960.970.940.880.910.930.950.961.280.980.960.961.011.120.941.160.920.950.960.961.021.030.890.941.011.010.89
Cys-AsnME3847141.031.041.051.001.020.950.931.030.940.820.990.881.001.021.020.941.020.951.081.061.050.921.040.991.011.081.060.941.080.981.141.031.011.031.010.920.990.981.010.911.020.931.040.870.850.940.850.920.881.111.101.101.020.961.011.081.031.041.071.080.97
6β-HydroxytestosteroneME3846731.041.251.131.181.101.530.611.130.661.020.930.810.871.120.841.290.731.161.041.360.931.130.701.700.961.150.550.631.001.150.530.930.821.060.831.020.790.841.661.190.621.120.850.571.020.801.330.991.140.721.351.180.961.171.310.810.910.691.171.431.16
Androstane-3,17-diolME3846870.990.851.080.931.140.980.790.981.030.780.860.640.950.961.170.880.900.701.080.991.080.941.071.271.090.610.851.480.880.730.800.750.851.150.570.920.840.601.451.160.860.681.470.560.751.160.711.250.690.900.911.191.211.120.930.901.211.021.541.460.75
AndrostenedioneME3846881.230.921.021.111.061.040.731.150.791.210.780.481.030.941.070.890.960.921.231.391.201.190.611.310.810.800.960.481.130.921.130.700.850.860.650.901.100.501.431.010.950.821.220.971.150.800.960.770.971.130.831.130.761.001.080.991.181.181.181.620.96

Factors:

F1Brain region:Basal ganglia | Age:16 weeks | Gender:Female
F2Brain region:Basal ganglia | Age:16 weeks | Gender:Male
F3Brain region:Basal ganglia | Age:3 weeks | Gender:Female
F4Brain region:Basal ganglia | Age:3 weeks | Gender:Male
F5Brain region:Basal ganglia | Age:59 weeks | Gender:Female
F6Brain region:Basal ganglia | Age:59 weeks | Gender:Male
F7Brain region:Cerebellum | Age:16 weeks | Gender:Female
F8Brain region:Cerebellum | Age:16 weeks | Gender:Male
F9Brain region:Cerebellum | Age:3 weeks | Gender:Female
F10Brain region:Cerebellum | Age:3 weeks | Gender:Male
F11Brain region:Cerebellum | Age:59 weeks | Gender:Female
F12Brain region:Cerebellum | Age:59 weeks | Gender:Male
F13Brain region:Cerebral cortex | Age:16 weeks | Gender:Female
F14Brain region:Cerebral cortex | Age:16 weeks | Gender:Male
F15Brain region:Cerebral cortex | Age:3 weeks | Gender:Female
F16Brain region:Cerebral cortex | Age:3 weeks | Gender:Male
F17Brain region:Cerebral cortex | Age:59 weeks | Gender:Female
F18Brain region:Cerebral cortex | Age:59 weeks | Gender:Male
F19Brain region:Hippocampus | Age:16 weeks | Gender:Female
F20Brain region:Hippocampus | Age:16 weeks | Gender:Male
F21Brain region:Hippocampus | Age:3 weeks | Gender:Female
F22Brain region:Hippocampus | Age:3 weeks | Gender:Male
F23Brain region:Hippocampus | Age:59 weeks | Gender:Female
F24Brain region:Hippocampus | Age:59 weeks | Gender:Male
F25Brain region:Hypothalamus | Age:16 weeks | Gender:Female
F26Brain region:Hypothalamus | Age:16 weeks | Gender:Male
F27Brain region:Hypothalamus | Age:3 weeks | Gender:Female
F28Brain region:Hypothalamus | Age:3 weeks | Gender:Male
F29Brain region:Hypothalamus | Age:59 weeks | Gender:Female
F30Brain region:Hypothalamus | Age:59 weeks | Gender:Male
F31Brain region:Medulla | Age:16 weeks | Gender:Female
F32Brain region:Medulla | Age:16 weeks | Gender:Male
F33Brain region:Medulla | Age:3 weeks | Gender:Female
F34Brain region:Medulla | Age:3 weeks | Gender:Male
F35Brain region:Medulla | Age:59 weeks | Gender:Female
F36Brain region:Medulla | Age:59 weeks | Gender:Male
F37Brain region:Midbrain | Age:16 weeks | Gender:Female
F38Brain region:Midbrain | Age:16 weeks | Gender:Male
F39Brain region:Midbrain | Age:3 weeks | Gender:Female
F40Brain region:Midbrain | Age:3 weeks | Gender:Male
F41Brain region:Midbrain | Age:59 weeks | Gender:Female
F42Brain region:Midbrain | Age:59 weeks | Gender:Male
F43Brain region:NA | Age:NA | Gender:NA
F44Brain region:Olfactory bulb | Age:16 weeks | Gender:Female
F45Brain region:Olfactory bulb | Age:16 weeks | Gender:Male
F46Brain region:Olfactory bulb | Age:3 weeks | Gender:Female
F47Brain region:Olfactory bulb | Age:3 weeks | Gender:Male
F48Brain region:Olfactory bulb | Age:59 weeks | Gender:Female
F49Brain region:Olfactory bulb | Age:59 weeks | Gender:Male
F50Brain region:Pons | Age:16 weeks | Gender:Female
F51Brain region:Pons | Age:16 weeks | Gender:Male
F52Brain region:Pons | Age:3 weeks | Gender:Female
F53Brain region:Pons | Age:3 weeks | Gender:Male
F54Brain region:Pons | Age:59 weeks | Gender:Female
F55Brain region:Pons | Age:59 weeks | Gender:Male
F56Brain region:Thalamus | Age:16 weeks | Gender:Female
F57Brain region:Thalamus | Age:16 weeks | Gender:Male
F58Brain region:Thalamus | Age:3 weeks | Gender:Female
F59Brain region:Thalamus | Age:3 weeks | Gender:Male
F60Brain region:Thalamus | Age:59 weeks | Gender:Female
F61Brain region:Thalamus | Age:59 weeks | Gender:Male
Data matrix
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