Clustering data with hclust algorithm for (Study ST003024)

(Analysis AN004958)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40
Urocanic acidME7797550.020.020.070.020.020.060.022.180.280.022.243.003.814.720.140.160.380.030.830.520.801.012.200.110.120.090.040.060.023.734.796.415.250.310.671.210.031.990.031.26
OleamideME7796730.210.250.250.450.300.440.240.210.140.260.660.490.900.640.150.130.150.220.130.400.240.370.280.260.420.270.240.200.180.350.350.610.350.110.170.130.130.190.278.28
Ala/Asn/SerME779808NA0.292.40NA0.222.010.210.190.240.210.150.160.300.191.984.142.260.190.360.820.410.380.251.205.474.090.202.660.190.120.150.220.240.230.200.210.230.290.250.96
Octaethylene glycolME7797450.150.240.160.150.210.290.152.880.150.150.320.150.210.152.900.150.154.660.150.140.160.450.152.740.270.153.720.920.150.160.150.161.343.290.190.198.033.480.151.24
His/Lys/Lys/Pro/ValME779748NANA0.03NANA0.24NA1.97NANA0.130.080.120.101.43NANA2.490.050.070.130.320.131.470.25NA2.010.89NA0.090.090.080.741.79NA0.134.182.13NA0.63
Ile/Lys/Lys/Gln/TyrME779888NANANANANA0.24NA2.97NANA0.10NA0.11NA1.16NANA2.120.050.04NA0.27NA1.210.18NA1.540.81NA0.07NA0.071.581.48NANA3.701.63NA0.51
TalbutalME7796710.550.620.560.500.600.670.570.500.610.610.290.250.500.444.220.590.483.900.720.370.350.690.433.340.500.424.151.630.690.320.310.471.100.970.450.532.060.460.691.11
N2-Succinyl-L-ornithineME779897NANA0.54NANA0.77NA0.08NANA0.090.090.090.106.930.980.282.610.120.130.110.070.085.530.700.062.750.74NA0.040.070.040.490.05NA0.060.060.04NA0.78
N-Succinyl-L-glutamateME7797980.42NA0.920.57NA0.76NA0.310.290.300.700.720.580.395.260.550.801.061.020.960.870.290.613.950.810.181.470.37NA0.610.540.340.74NA0.320.74NA0.94NA0.91
2-Keto-3-deoxy-6-phosphogluconic acidME7797660.640.640.620.610.640.650.590.760.620.592.622.802.361.990.880.861.450.651.801.721.952.502.780.610.590.630.630.700.510.920.830.730.760.560.510.640.580.730.610.80
N-NonanoylglycineME7797990.450.450.390.350.460.420.411.350.350.363.245.563.464.160.500.410.720.550.711.462.051.461.880.670.450.440.460.440.331.112.201.371.970.630.400.760.590.470.521.14
threo-tetruronateME7800010.060.060.320.050.050.320.061.130.160.052.673.003.423.580.560.951.260.231.620.921.481.693.310.381.060.890.200.620.052.752.873.142.320.090.481.080.031.740.051.44
Lys/Ala/ProME7798190.310.350.380.280.360.340.331.900.320.262.483.092.282.670.390.480.730.340.950.801.261.112.310.340.410.460.270.550.222.573.522.791.750.300.460.610.300.890.331.31
6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterinME7798860.540.410.390.510.370.440.421.850.430.442.172.792.392.890.400.460.610.460.920.971.391.342.060.410.380.420.370.430.402.383.093.512.510.420.510.630.420.900.401.00
Gly/Pro/ArgME7798320.480.350.430.430.390.410.391.520.440.472.402.912.763.130.470.520.760.421.070.871.241.452.480.330.400.470.390.420.392.302.802.762.120.400.510.740.411.050.411.00
Cyclic GMPME7796500.150.150.200.140.180.230.140.690.730.162.912.712.822.710.390.451.190.231.851.131.391.072.280.340.260.210.220.260.161.661.891.481.260.390.681.130.191.330.171.47
TheanineME7799680.050.070.070.050.080.080.060.890.860.052.803.163.502.520.070.150.800.071.610.831.551.002.790.080.080.080.070.090.062.232.392.731.471.501.892.130.082.010.081.35
Linoleic acidME7797950.335.530.410.392.920.490.711.911.881.080.561.940.781.202.800.300.591.550.460.280.511.090.390.710.610.410.660.630.250.710.901.510.770.281.800.660.482.021.771.63
PhosphorylcholineME7797151.801.891.461.711.781.531.661.171.271.810.130.100.090.031.300.680.511.730.340.540.470.720.031.420.760.761.740.951.670.04NANA1.021.100.220.061.670.041.781.00
beta-Alanyl-L-arginineME7799342.492.301.762.332.141.902.281.531.532.330.240.130.070.030.940.790.622.020.410.710.630.650.091.180.800.831.990.922.170.040.020.040.800.360.090.051.740.031.980.96
Serylarginine_1ME7799032.512.081.552.521.901.592.391.571.412.370.070.110.040.040.990.530.352.200.310.630.580.570.061.280.440.472.010.652.210.040.040.040.800.280.080.041.830.031.870.94
Valyl-ArginineME7797572.411.891.452.381.891.422.241.431.242.150.110.070.030.001.330.490.362.110.110.690.690.790.041.580.490.591.970.891.970.020.010.011.200.210.060.031.910.011.841.04
AdenosineME7799231.791.681.041.561.421.031.851.350.981.75NANANANA0.720.150.151.630.270.290.510.74NA0.970.210.251.470.451.71NANANA1.540.460.04NA1.61NA1.460.73
GlycerophosphocholineME7799562.142.011.281.942.061.422.101.991.272.030.010.000.000.000.510.070.062.000.090.190.160.270.000.940.080.101.910.251.84NANA0.000.720.570.020.012.100.001.871.73
N-UndecanoylglycineME7798661.050.230.921.620.931.411.520.202.381.711.194.120.680.890.530.530.762.141.510.520.190.460.121.260.670.750.940.941.660.380.401.280.551.450.891.111.210.911.611.05
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acidME7799271.650.560.561.880.440.451.142.030.491.242.082.390.840.830.660.620.471.010.481.682.220.720.580.740.490.421.010.420.942.132.321.230.970.570.460.510.730.520.470.89
3,4,5-trihydroxy-6-[3-hydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbutoxy]oxane-2-carboxylic acidME7797311.720.480.431.980.340.331.101.570.351.442.662.800.570.430.510.430.351.040.332.502.770.620.380.750.380.341.270.300.912.482.720.880.850.380.300.370.630.390.310.86
4-Imidazolone-5-propionic acidME7797721.750.460.442.130.360.440.661.750.411.402.732.830.700.380.520.380.441.090.442.512.970.750.420.890.480.451.230.480.632.652.960.600.780.430.390.440.480.340.500.84
Lysyl-MethionineME7798361.830.530.591.670.300.461.231.220.351.361.521.460.300.360.580.550.311.030.391.461.650.410.290.590.350.391.010.291.101.501.420.740.620.470.390.410.780.430.292.73
TryptophanME7798952.240.740.732.020.510.531.541.730.471.681.972.230.330.430.860.650.381.270.231.802.090.670.340.840.560.511.180.491.351.952.140.770.790.240.220.240.810.270.520.88
Ile/Met/SerME7799572.020.780.702.300.450.481.661.260.541.831.721.630.290.240.780.660.461.460.361.962.130.550.350.780.490.421.270.391.362.001.610.770.610.600.550.561.050.550.450.91
Met/Phe/ValME7796562.010.770.742.170.580.581.461.250.711.761.521.250.230.100.870.760.511.440.401.872.140.580.291.080.600.541.450.511.301.631.070.480.930.760.630.621.070.530.610.85
9-mercaptodethiobiotinME7799902.290.790.792.220.440.481.841.230.572.041.471.400.210.180.880.770.401.540.341.912.130.570.210.830.480.431.390.451.581.511.270.610.680.670.550.591.210.520.470.89
Methionyl-AlanineME7799372.230.750.732.340.450.511.741.320.621.941.481.380.230.200.930.720.411.460.342.032.070.590.250.880.510.461.380.451.471.481.340.710.690.650.560.581.140.550.490.89
Methionyl-ValineME7799591.890.710.722.130.470.501.381.390.471.641.801.960.470.480.830.700.461.180.361.682.170.640.470.790.500.471.110.451.241.901.951.240.740.570.520.570.920.560.490.93
Methionyl-Valine_1ME7796471.850.730.691.900.430.491.571.470.491.681.791.980.540.690.720.710.421.280.421.731.950.700.420.690.420.391.130.381.291.941.841.290.920.570.450.531.010.520.430.98
Ala/Ile/Ile/Thr/TyrME7798631.790.760.901.860.550.541.641.090.541.451.681.710.500.430.840.820.561.290.571.792.070.730.480.900.560.531.130.641.341.451.470.930.780.590.600.611.050.550.550.96
Methionyl-ThreonineME7797431.990.780.781.900.510.571.551.350.581.761.651.640.400.430.860.720.491.310.441.791.990.660.420.830.530.491.290.481.331.761.620.930.790.660.520.580.990.560.500.89
Ala/Asp/Ile/Ile/MetME7798491.830.790.801.910.560.571.541.420.831.601.481.680.570.570.910.730.531.100.481.661.780.760.450.850.550.631.100.531.171.531.730.850.840.730.590.661.110.620.630.86
GlutamylmethionineME7798501.870.830.771.770.610.631.351.410.651.331.461.530.440.360.800.750.461.190.391.611.930.740.420.820.540.521.120.531.141.631.590.930.760.680.540.601.070.600.521.30
HarmanME7799721.012.421.850.792.662.101.751.152.050.460.940.711.231.460.640.850.990.411.090.710.540.891.420.470.841.020.331.090.590.990.721.131.220.740.911.070.611.162.571.14
2-Amino-4-methylenepentanedioic acidME7796140.620.790.720.540.900.930.440.820.770.410.30NA0.920.590.860.790.870.580.86NANA0.820.750.800.850.880.610.860.520.26NA0.580.660.880.700.800.700.780.892.85
7-FormyldehydrothalicsimidineME7796570.420.710.680.350.920.900.470.520.860.440.360.230.990.600.690.580.780.530.820.330.300.840.730.720.710.920.520.810.420.300.390.740.730.770.550.780.740.690.724.32
Epsilon-caprolactamME7797100.070.080.590.070.070.740.070.360.731.761.381.211.390.981.591.441.351.591.251.051.071.031.071.521.551.161.621.201.651.150.981.611.221.611.471.431.651.260.081.15
3-Amino-2-piperidone_2ME7796821.911.511.431.881.241.502.071.011.351.600.680.650.740.831.291.090.860.940.690.900.910.880.661.221.551.361.011.131.760.730.670.541.050.740.570.730.520.641.411.07
Isoleucyl-ArginineME7799861.501.331.432.731.412.082.650.921.611.470.380.220.160.061.351.290.951.480.691.020.860.850.171.311.371.321.431.421.370.070.100.130.590.570.160.101.420.071.351.09
aminocaproamideME7798961.711.741.451.651.701.681.841.181.221.710.450.430.580.421.371.541.061.540.690.840.871.260.701.451.521.591.511.421.660.250.210.210.710.600.350.291.210.281.621.01
phenyl sulfoxideME7797161.841.731.431.671.491.751.830.961.211.830.470.510.770.461.341.270.851.480.580.880.991.080.581.531.721.441.561.521.800.380.380.360.740.390.320.321.490.341.530.92
Lysyl-LysineME7798712.121.781.591.931.611.682.031.361.281.870.160.090.080.031.511.260.861.820.510.870.630.750.081.481.431.461.821.561.620.030.030.030.630.530.150.051.560.031.380.86
N-acetyl-L-glutaminyl-L-glutamine amideME7797521.861.691.621.861.621.561.851.111.081.890.070.040.050.031.441.240.741.740.390.760.680.960.031.571.481.461.721.501.700.030.030.020.580.250.040.041.650.031.460.98
Prolyl-ArginineME7799671.781.641.591.701.511.511.741.111.061.750.190.160.170.141.461.240.791.700.440.780.710.900.141.481.471.441.671.491.650.140.130.130.660.350.150.151.590.141.411.00
Glycyl-ArginineME7798851.851.571.471.721.501.451.751.141.121.760.580.410.250.091.211.130.931.600.721.061.030.940.331.291.201.141.511.251.590.180.120.060.590.780.320.201.360.141.441.04
KyotorphinME7799451.891.451.461.801.301.361.701.110.941.740.450.270.160.101.441.340.941.600.561.261.030.900.171.371.331.361.621.391.600.110.090.080.640.450.160.111.530.091.320.96
Phenylalanyl-ArginineME7799081.641.421.521.571.281.301.561.031.011.640.420.250.190.091.361.300.991.560.651.090.920.840.171.331.321.361.431.391.460.120.100.080.550.510.190.131.400.121.271.28
SerylarginineME7799061.701.541.451.621.341.351.781.141.101.620.540.330.150.061.361.321.021.620.781.221.080.880.211.301.301.321.481.351.520.110.080.060.630.720.220.131.470.091.331.03
Threoninyl-ArginineME7799631.741.571.461.611.441.471.621.011.101.650.440.250.130.031.331.321.071.610.791.121.030.920.201.321.301.331.531.491.530.070.040.050.590.800.220.111.530.061.401.04
Glu/Arg/TyrME7796611.381.241.401.571.311.421.301.281.011.510.460.350.180.091.351.281.021.370.671.330.900.920.151.601.521.421.591.531.260.260.300.280.720.730.230.191.350.201.360.94
Ile/Arg/HisME7798581.681.241.401.631.311.441.411.080.901.590.360.210.09NA1.451.420.931.540.581.300.980.910.081.521.601.491.521.531.360.130.120.070.870.370.120.091.390.081.210.97
Pro/Pro/ProME7798511.421.111.021.261.011.081.211.250.881.270.590.510.310.201.091.060.841.260.771.040.990.820.310.991.000.991.071.011.070.120.080.070.600.960.520.281.120.200.972.31
Ile/Ile/Ile/Pro/ProME7797771.271.421.361.371.801.301.051.241.661.350.470.320.200.121.110.550.661.460.640.770.710.740.171.390.740.791.640.951.060.720.500.260.641.721.330.911.490.651.580.97
Cysteine-S-sulfateME7797711.111.611.521.031.701.541.390.971.471.150.330.280.290.220.721.080.901.040.690.540.450.980.340.761.331.461.101.521.260.440.350.510.641.441.151.081.410.821.461.08
Isoleucyl-PhenylalanineME7799431.551.841.351.371.491.551.351.311.361.660.460.430.100.231.201.190.951.550.600.730.770.740.441.241.291.181.581.301.390.350.400.480.671.090.620.461.360.381.220.76
Leucyl-LeucineME7799891.711.971.521.511.601.671.561.231.471.750.460.340.310.201.381.331.111.630.700.890.870.910.361.401.441.341.641.361.550.310.230.240.611.210.750.671.470.541.370.92
Asp/Ile/Ile/Ile/IleME7796891.171.031.351.241.401.441.161.301.181.250.22NA0.320.231.291.170.881.170.670.840.660.940.271.401.421.471.281.411.07NANA0.200.591.090.640.371.260.311.470.88
cilazaprilatME7798131.361.341.421.411.651.731.051.131.411.320.200.150.170.191.301.321.041.330.640.710.651.040.171.481.581.551.501.591.070.200.120.080.631.270.630.351.300.251.571.00
Ile/Pro/Pro/ProME7796691.261.211.091.261.061.231.051.361.161.130.680.510.44NA1.160.990.951.190.871.000.920.840.331.111.251.101.231.211.020.540.320.271.481.131.000.921.170.781.060.98
Lysyl-SerineME7799181.481.261.231.421.151.241.331.311.131.340.940.290.240.161.261.110.891.370.670.960.840.860.221.211.191.161.331.241.231.270.530.131.120.630.610.761.230.751.110.88
Lysyl-PhenylalanineME7799281.561.151.111.550.981.051.460.930.961.461.030.880.490.351.201.100.951.350.871.291.261.010.501.081.081.041.231.111.350.380.250.240.560.970.660.511.180.391.001.11
6-methylthiohexylhydroximoyl-L-cysteineME7797891.621.271.131.401.191.081.261.351.201.390.620.570.250.261.121.160.801.330.651.080.970.690.271.211.201.221.480.971.240.580.400.110.901.050.950.731.430.461.260.98
Ile/Ile/PheME7798671.321.181.301.461.471.491.081.071.411.260.400.260.200.061.201.100.991.270.731.050.800.880.151.411.501.361.481.421.040.250.140.110.551.311.030.821.270.551.401.00
Neurotensin 11-13ME7798641.511.371.291.631.441.341.351.051.381.530.300.180.140.031.231.020.831.450.560.950.810.760.071.411.271.281.471.291.310.160.080.090.581.451.040.761.480.421.430.98
Alanyl-ProlineME7799931.541.311.321.501.291.351.461.091.311.440.640.570.390.161.201.161.011.420.791.051.091.040.331.251.261.291.361.351.340.600.500.400.651.331.091.041.400.811.361.15
N-(6-Aminohexanoyl)-6-aminohexanoateME7799961.421.431.351.471.291.351.520.961.231.370.690.540.500.291.341.301.121.380.861.091.031.010.431.301.371.351.371.381.360.480.390.410.641.210.990.851.420.711.361.17
destruxin BME7798381.271.291.241.451.131.381.301.381.161.210.410.290.27NA1.111.131.031.330.781.040.850.830.201.271.291.301.321.361.280.280.200.220.801.150.850.761.260.551.270.97
Cys/Gly/His/Pro/ArgME7797131.401.561.221.401.291.351.480.981.161.510.390.330.33NA1.151.100.931.280.620.950.920.710.201.181.151.271.281.201.250.330.270.200.771.121.040.781.250.631.240.92
Ile/Tyr/ValME7799211.271.201.151.361.221.201.240.871.251.220.600.440.380.111.221.100.961.240.801.050.930.840.311.191.231.231.261.231.160.510.380.350.541.291.111.021.280.811.191.04
Leucyl-leucyl-norleucineME7797921.401.331.261.281.321.331.280.941.281.310.490.420.300.071.231.111.061.360.830.930.890.830.281.221.261.261.251.311.260.370.250.210.491.321.020.971.230.731.201.00
Leu/Val/TyrME7799071.331.471.191.411.361.331.231.061.311.420.460.340.320.101.171.080.911.350.720.970.930.890.291.251.251.281.401.221.330.440.300.280.581.301.030.851.230.741.260.91
FuranopetasitinME7796321.091.181.391.181.401.530.971.041.091.010.810.530.360.131.241.211.291.221.071.181.041.060.581.401.541.351.461.580.910.230.280.310.781.060.470.311.150.221.251.05
3-Amino-2-piperidoneME7798371.151.431.441.161.531.651.230.981.331.180.550.490.760.491.391.381.301.331.080.790.781.300.681.431.611.481.351.581.220.400.340.410.731.090.720.671.420.551.541.16
N-lactoyl-Tryptophan_2ME7799001.351.401.251.391.191.381.250.931.121.190.460.400.530.391.221.261.121.170.910.720.791.250.511.341.301.321.341.351.170.340.260.320.641.180.820.521.300.461.371.03
N-MalonyltryptophanME7797291.271.271.231.261.391.391.320.961.231.340.420.380.460.331.331.231.121.300.880.770.721.090.481.331.391.331.331.321.210.260.220.240.601.210.780.511.280.431.351.06
N-lactoyl-TryptophanME7799331.241.271.171.321.191.281.220.861.291.190.510.500.670.551.191.191.211.250.980.800.761.000.651.131.351.341.191.221.160.450.400.360.711.270.800.521.280.551.341.08
Glu/Ala/PheME7796741.261.201.101.211.271.211.220.941.091.110.600.570.650.561.051.131.061.121.010.760.781.310.671.151.221.261.231.161.080.480.390.390.701.230.900.681.220.631.181.18
Dihydroclavaminic acidME7799011.181.241.211.201.251.351.180.971.181.250.520.450.580.411.241.181.121.260.990.830.791.090.481.261.321.271.271.271.150.350.300.310.641.220.880.631.290.531.271.08
AcetylcarnosineME7797591.221.211.141.181.251.311.210.881.221.210.550.500.580.441.081.121.071.220.960.770.771.070.461.171.241.131.251.201.140.450.350.330.631.170.930.701.220.631.181.26
Ala/Ala/ProME7799441.161.201.151.181.211.271.090.931.241.180.560.510.610.421.151.151.091.200.960.800.761.060.491.181.251.201.211.221.100.430.350.330.631.210.910.691.190.611.161.30
Ala/Lys/Ala/GlnME7799121.111.101.201.191.111.231.030.821.091.050.970.770.550.221.201.341.281.141.141.321.221.000.721.241.421.331.211.401.010.460.350.170.511.290.800.521.140.381.200.94
Glu/His/His/Pro/ArgME7796231.481.441.381.351.251.211.600.781.071.290.790.620.600.281.181.211.121.440.961.001.050.980.611.121.211.151.231.241.290.360.270.130.501.160.640.481.350.331.110.96
Leucyl-LysineME7799641.331.221.171.271.161.181.350.841.031.250.730.640.570.371.201.161.081.260.971.030.991.090.581.131.221.181.161.231.220.270.290.360.581.060.680.521.200.411.091.29
Glu/Arg/PheME7798171.231.071.181.191.251.291.100.911.081.190.870.730.580.271.131.151.111.181.031.141.251.020.691.151.311.181.181.270.990.500.390.280.591.120.820.581.140.471.131.10
GlutamylarginineME7799751.331.251.271.311.201.291.280.901.211.310.850.670.480.211.221.241.141.280.961.191.111.050.611.241.251.211.321.281.190.410.300.140.581.160.780.551.230.401.171.03
Beta-Guanidinopropionic acidME7798910.251.031.260.291.701.680.350.661.660.420.340.261.681.101.051.171.750.801.730.320.241.511.611.311.721.730.991.750.510.330.240.891.291.561.691.601.011.571.721.25
PyrrolysineME7797930.530.940.950.601.101.190.680.621.100.690.490.391.300.870.850.921.100.801.080.460.440.980.920.971.181.180.831.190.670.500.390.750.951.070.931.030.911.001.102.39
DL--hydroxynorvalineME7796370.531.100.900.520.881.050.660.801.080.670.690.641.501.230.921.031.070.741.120.640.531.001.110.921.060.940.751.060.700.820.811.021.091.021.021.120.871.100.972.23
ZAPAME7796400.711.010.920.581.061.150.790.741.080.760.630.451.431.220.920.921.110.851.160.540.451.001.250.951.091.050.821.090.770.640.541.281.151.001.071.180.911.190.991.76
4-Imidazolone-5-acetateME7796300.480.940.990.391.191.280.600.691.210.530.700.641.641.290.951.001.170.821.340.470.431.141.370.971.191.220.791.210.620.710.641.121.201.151.291.300.931.351.171.37
N-hydroxyisoleucine_1ME7797000.601.081.010.601.241.270.720.781.290.670.660.571.711.280.991.111.240.881.380.580.491.271.341.041.241.180.921.230.750.680.621.191.271.231.221.341.001.251.211.57
DiphthamideME7798050.751.081.010.671.261.190.930.661.210.840.540.421.271.021.121.041.130.861.170.470.411.111.001.051.291.180.921.240.880.490.430.991.161.141.091.161.061.071.251.42
Hypoglycin BME7798140.591.041.050.541.091.460.740.651.260.660.420.361.551.031.011.041.170.791.110.460.371.151.091.101.281.300.881.190.740.470.411.111.121.131.171.071.071.131.401.55
N-Benzoyl-D-arginineME7797050.701.061.020.640.961.200.870.711.130.770.560.501.331.281.171.111.210.971.170.540.481.151.291.081.211.280.991.210.860.580.531.331.251.201.131.101.021.211.121.16
Asn/Gly/ProME7796810.561.000.980.621.141.240.840.681.250.720.630.501.531.230.931.101.250.851.270.560.511.211.341.041.271.170.991.170.750.610.571.021.061.271.241.301.011.281.191.15
17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-oneME7797260.681.151.060.611.161.230.930.721.190.830.550.481.471.250.991.041.240.901.280.490.471.131.291.071.251.330.961.240.960.540.471.101.271.151.101.191.051.171.271.07
N-[-3-methylhex-2-enoyl]-L-glutamineME7798810.691.161.140.691.231.220.860.761.250.760.600.471.421.061.021.021.300.911.220.630.551.141.241.021.271.350.981.200.930.610.501.021.051.191.121.151.001.151.241.08
N-Amidino-L-glutamateME7796100.561.141.070.521.251.330.710.681.490.720.480.351.370.951.051.051.340.841.250.490.391.281.221.031.331.341.041.350.720.550.430.771.041.281.281.191.001.331.381.16
guadinomic acidME7796180.641.051.160.691.201.260.880.611.370.770.540.501.280.991.021.071.210.971.170.490.441.191.161.141.271.210.991.250.910.540.490.981.041.231.191.291.081.251.231.14
Methylimidazoleacetic acidME7797540.601.141.070.611.261.390.770.651.430.720.500.441.280.971.091.091.280.861.310.470.391.141.161.141.301.200.961.330.870.520.430.871.021.321.341.321.051.271.301.09
oxindole-3-acetyl-valineME7798440.611.111.060.541.231.360.700.791.170.620.570.491.501.261.050.951.400.761.330.580.521.241.330.971.251.220.991.310.910.550.440.961.061.291.111.240.971.131.241.17
phomamideME7798090.521.121.110.481.301.320.690.691.300.640.490.381.561.171.011.091.310.841.370.420.361.191.341.081.391.270.951.330.820.490.370.901.161.281.191.351.001.251.391.14
5-HydroxypyrazinamideME7798180.331.221.160.331.411.350.590.581.340.520.350.171.631.651.091.231.490.761.590.280.191.351.651.141.321.320.791.430.640.290.191.081.381.331.301.301.011.381.381.13
Cysteinyl-HydroxyprolineME7798720.291.181.180.321.421.400.540.641.410.490.350.211.711.261.041.121.430.771.590.310.201.381.441.081.391.380.861.410.630.310.230.931.271.301.391.400.961.351.461.17
Asparaginyl-AsparagineME7798160.461.221.320.381.551.510.660.611.490.610.280.171.290.771.111.201.420.911.460.310.201.301.151.201.491.440.951.590.710.300.180.740.901.411.311.481.041.311.431.10
PantetheineME7797280.441.231.350.431.511.370.750.641.530.630.300.221.220.931.191.281.510.941.480.340.221.211.251.201.501.380.981.610.820.310.220.810.971.431.351.431.041.401.341.06
Lys/Phe/Cys_1ME7796550.411.131.150.401.441.420.640.651.410.510.330.181.411.121.131.241.450.851.500.330.221.201.201.131.421.230.901.460.730.320.201.071.071.401.451.520.961.341.371.15
AlbizziineME7796170.431.221.210.421.291.520.570.661.470.560.420.281.291.071.081.211.340.911.350.350.251.321.431.101.451.430.941.570.730.390.270.941.111.281.241.341.041.371.241.10
Lys/Phe/CysME7796670.391.271.310.401.341.430.680.531.500.570.300.191.351.041.061.201.410.901.420.320.221.311.271.161.401.440.941.460.740.320.210.911.131.401.341.371.001.391.391.11
5-MethylcytosineME7798060.551.071.220.501.551.500.750.691.480.660.500.361.451.151.131.111.360.841.540.430.361.341.401.201.401.350.971.420.720.470.370.971.171.361.381.391.121.371.501.13
MethylcysteineME7796530.451.061.210.411.371.370.650.651.500.600.430.301.431.121.061.141.390.771.510.360.301.321.371.221.501.390.841.530.770.370.250.661.081.371.221.221.081.191.311.14
Ala/Leu/Met/GlnME7798620.340.910.880.321.141.280.570.551.430.460.410.291.751.170.950.911.360.691.430.360.261.281.391.011.321.310.711.280.520.440.291.171.351.401.251.500.891.501.181.60
gamma-L-Glutamyl-L-methionine sulfoxideME7798700.371.181.220.341.601.450.530.581.370.510.270.161.251.070.991.181.270.771.300.260.181.181.261.031.371.300.891.430.610.300.170.890.951.251.191.100.941.221.301.80
Val/Gly/Pro_1ME7798110.460.930.980.421.101.250.640.651.220.610.460.341.601.250.951.031.320.831.350.390.291.311.201.021.331.270.721.320.690.460.351.061.191.281.241.280.971.241.241.57
1-Aminocyclopropanecarboxylic acidME7796350.521.271.120.401.341.360.640.641.500.560.430.281.441.151.191.221.320.851.280.450.291.231.301.071.261.240.921.380.730.440.291.081.081.261.211.221.171.221.241.74
Methionine sulfoxideME7800000.391.131.050.361.221.350.620.571.290.540.350.221.531.151.071.111.310.801.380.360.231.221.301.071.361.290.831.320.690.330.230.971.101.211.161.220.991.201.281.76
4-Guanidinobutanoic acidME7799800.451.071.020.351.141.220.680.601.400.570.580.451.921.661.091.171.560.911.690.420.351.271.641.191.241.160.941.270.720.670.521.351.391.631.611.701.081.691.211.22
cyclo(glycyl-L-prolyl)ME7797090.380.951.100.421.291.460.600.601.370.510.690.662.171.751.101.131.490.701.740.490.511.491.751.181.591.480.861.340.680.650.630.961.491.331.361.460.971.481.501.19
BendiocarbME7797830.881.081.100.811.091.141.000.851.150.870.880.891.701.971.121.131.120.971.300.570.551.231.431.031.161.070.991.260.990.920.841.551.551.261.141.361.051.431.061.14
indole-3-acetyl-valineME7799290.510.960.940.501.051.170.660.751.140.630.640.662.132.000.900.961.180.731.340.490.481.291.621.041.221.130.771.140.740.680.661.431.591.011.221.280.891.331.131.07
indole-3-acetyl-isoleucineME7799410.511.121.050.491.181.220.700.731.250.680.490.441.731.821.021.081.260.791.300.430.361.201.611.041.211.190.781.190.780.560.521.391.611.041.221.210.971.211.321.11
ProcaterolME7798450.591.041.010.561.201.190.750.721.310.690.600.531.721.530.980.981.230.821.360.500.481.201.521.101.201.120.841.150.800.650.611.311.401.101.151.300.961.341.211.05
2-amino-4-cyano-butanoic acidME7798100.641.201.200.731.211.230.730.761.190.860.740.721.130.941.351.411.660.981.710.730.721.471.191.471.741.531.181.540.870.510.470.640.791.541.120.811.170.941.331.22
Asp/Leu/Cys/TyrME7796460.421.091.070.561.251.260.651.241.160.560.43NA0.940.450.890.991.240.790.990.53NA1.020.710.991.181.340.951.220.69NANA0.660.801.201.101.191.061.061.101.24
Biotin sulfoneME7798980.411.361.420.401.651.680.710.671.580.670.140.100.910.531.261.341.530.931.290.250.141.440.691.401.681.691.041.730.830.090.070.310.651.571.210.911.220.811.681.19
Glu/Met/TyrME7797200.451.381.300.441.651.670.690.641.620.610.110.120.980.591.211.221.460.881.380.280.151.400.771.311.671.681.011.590.790.110.080.360.731.451.260.911.220.831.701.28
Ile/Met/Pro/SerME7797330.411.391.230.341.561.700.610.661.640.610.260.181.180.531.121.141.460.901.210.300.161.210.951.261.621.551.011.650.750.220.140.510.731.391.471.291.141.221.621.16
actinocinME7797910.451.321.370.541.511.520.810.651.470.740.230.210.900.611.161.321.441.051.220.340.241.220.951.211.511.551.031.430.890.260.190.610.761.301.221.251.051.221.421.12
Hydroxyprolyl-MethionineME7799940.481.421.350.441.531.530.790.561.490.660.200.140.980.551.281.281.380.961.260.300.191.300.931.211.521.491.011.530.840.200.140.680.791.431.341.261.161.161.471.19
Methionyl-SerineME7799650.461.441.340.421.501.590.740.681.470.630.240.151.160.741.241.291.420.961.340.340.221.381.101.231.311.541.001.560.820.220.150.780.871.391.361.271.151.221.511.02
NequinateME7799320.421.321.290.411.431.560.710.641.480.610.250.161.110.511.221.211.410.911.300.320.211.261.251.201.521.540.951.540.790.270.180.910.781.331.341.401.091.291.501.15
MethionineME7800051.590.930.881.560.660.701.441.350.761.441.731.880.901.160.930.840.651.210.691.461.640.920.820.880.690.621.130.671.331.771.841.421.170.790.720.761.050.830.641.07
CoformycinME7798920.950.750.821.030.760.880.841.270.880.921.491.581.020.960.830.840.850.940.841.141.291.000.950.860.830.820.900.850.801.461.571.471.110.870.880.980.810.990.801.08
N2-(D-1-Carboxyethyl)-L-arginineME7796241.250.800.831.070.700.781.191.150.831.241.341.391.251.210.860.850.761.090.830.971.080.940.940.780.830.710.940.701.071.501.611.461.210.820.740.850.981.000.631.02
His/Leu/Gly/SerME7798551.300.950.761.370.840.811.151.271.041.241.371.540.870.740.510.570.771.010.811.151.290.970.750.680.530.581.000.810.961.571.541.261.061.020.971.110.981.090.930.93
Methionyl-Serine_1ME7797251.390.680.901.290.850.821.131.260.901.221.441.390.740.700.900.870.921.050.921.401.590.810.670.920.840.771.000.680.941.431.331.040.940.940.910.870.910.780.780.90
Ala/Trp/Asp/GlyME7796311.250.820.851.230.740.940.991.230.821.051.691.600.860.550.840.870.831.020.771.401.600.950.860.910.810.831.060.830.911.541.611.430.980.830.910.880.880.900.820.76
ClobenzorexME7796831.240.710.781.310.790.890.961.480.851.181.461.570.740.570.780.830.711.090.661.501.630.930.740.950.830.761.100.850.931.681.591.210.890.850.850.750.910.920.820.83
Glycerol 3-phosphateME7798120.670.650.860.600.640.930.600.880.680.621.091.061.091.141.441.431.240.821.061.111.151.211.191.111.601.410.771.400.601.061.010.880.980.870.950.970.791.020.571.19
b-aminoisobutyric acidME7798791.121.010.890.960.870.881.160.950.800.991.071.171.021.060.950.910.821.030.890.851.000.860.790.830.830.810.890.871.101.121.190.970.880.850.790.900.990.850.852.40
Asparaginyl-ProlineME7798031.141.110.961.071.011.041.070.890.991.030.700.750.690.620.970.910.881.110.730.870.870.910.540.971.030.960.981.101.030.610.590.730.750.940.870.851.090.740.961.84
Glu/Ile/SerME7798201.070.970.921.070.951.040.940.920.960.940.900.780.800.540.970.860.861.000.870.910.970.900.720.950.980.920.960.960.870.870.790.820.770.960.840.920.970.880.891.82
1-dimethylarsinoyl-pentadecaneME7797181.060.840.821.020.910.890.931.010.850.940.890.910.740.630.900.810.890.940.850.880.940.840.720.880.850.840.920.910.830.950.900.840.830.920.800.830.870.840.752.12
Glu/Thr/TyrME7797961.010.960.821.071.040.980.890.870.910.970.850.800.700.440.910.810.840.960.770.870.900.840.730.880.840.880.940.880.850.880.800.830.630.880.880.860.900.810.872.23
Imidazoleacetic acid ribosideME7799160.790.840.740.800.930.930.770.870.890.770.740.690.930.740.720.790.810.750.820.700.770.890.750.760.830.770.800.880.670.760.690.730.740.910.810.790.780.780.852.89
Lysyl-ValineME7799690.840.760.750.760.740.740.790.750.800.770.810.790.800.670.750.780.810.920.770.700.770.790.750.750.870.750.740.770.710.870.820.780.720.880.810.910.770.900.672.95
gamma-GlutamyltyrosineME7798390.870.830.730.830.850.880.751.070.860.821.040.961.020.890.710.780.790.800.810.840.940.970.990.790.730.750.760.800.691.061.050.960.920.800.730.810.740.840.742.40
Glu/Glu/IleME7797850.830.910.880.851.011.030.760.970.920.810.860.880.890.560.780.860.850.840.830.840.910.900.940.810.860.820.870.880.710.940.850.920.710.860.970.910.820.910.852.26
2-(Hydroxymethyl)-3-(acetamidomethylene)succinateME7798040.990.890.770.950.910.980.810.890.890.860.800.851.080.740.780.750.880.950.860.790.900.900.820.930.940.930.920.860.750.890.861.050.930.930.730.860.870.840.902.15
beta-aspartyl-L-leucineME7799520.920.840.830.920.870.910.890.920.900.830.900.861.090.820.840.800.840.870.810.860.830.880.850.860.890.850.810.920.780.850.881.020.950.850.730.860.900.820.822.23
4-(Glutamylamino) butanoateME7798310.800.820.810.830.820.870.730.900.900.770.860.820.960.760.810.780.790.840.790.750.860.850.870.870.830.810.800.910.700.900.830.910.870.830.750.780.810.810.872.59
cyclo(L-glutamyl-glycyl)ME7796440.940.810.800.910.880.820.960.870.810.870.800.880.940.850.870.770.840.890.800.780.790.820.820.880.790.790.770.830.870.840.770.860.830.840.820.820.900.780.812.48
Asp/Asp/Gly/Pro/SerME7796651.311.320.790.971.181.141.070.860.951.110.640.570.940.800.670.760.870.930.760.690.720.860.930.770.910.871.030.901.070.710.630.550.780.910.790.771.100.800.902.10
Cys/Cys/Gly/Pro/ProME7796841.421.340.931.141.221.151.370.871.161.260.600.530.840.630.870.880.971.140.750.650.720.870.641.071.110.931.201.091.210.630.490.420.681.070.900.801.260.871.021.45
Ile/Gly/ThrME7796901.161.191.051.171.231.191.220.831.031.120.780.680.770.571.011.061.041.210.990.890.931.060.721.041.111.061.141.161.060.320.290.300.560.900.670.631.180.481.021.63
Lysyl-Valine_1ME7799541.181.091.001.081.031.141.180.730.981.030.770.720.800.561.081.000.981.150.920.910.931.020.710.981.041.010.991.091.040.320.270.320.550.950.600.561.200.490.951.99
UracilME7798931.401.341.321.321.321.351.361.281.111.350.890.930.991.051.261.150.921.230.810.991.031.140.971.201.321.311.221.311.310.970.970.931.110.340.530.790.960.941.221.07
2-carboxy-L-xylonolactoneME7799311.491.311.191.341.371.321.391.191.151.440.910.900.750.661.441.130.951.310.871.111.161.100.811.371.261.141.431.241.160.910.800.780.860.860.750.821.220.801.141.01
PyridoxamineME7796211.441.281.131.371.241.451.491.071.401.360.810.781.010.791.181.031.041.140.890.860.920.990.881.321.411.241.301.241.320.750.800.811.050.990.940.870.990.951.161.03
C17 Sphinganine-1-phosphateME7796540.981.371.291.011.481.581.100.951.310.980.480.470.980.731.251.011.011.010.900.590.581.050.791.291.511.391.091.230.990.410.430.681.040.870.760.831.080.801.441.04
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acidME7797321.061.401.211.101.311.341.191.021.141.110.670.781.061.231.301.331.111.131.130.890.871.130.931.211.391.331.211.161.160.640.480.770.981.160.910.781.170.761.391.31
ATPAME7799841.181.141.181.161.161.271.200.891.251.250.750.761.060.801.161.081.191.141.140.870.881.200.831.241.261.221.201.151.170.620.570.670.871.261.050.911.150.881.291.04
3^-DeaminofusarochromanoneME7797860.961.181.111.041.261.240.980.991.131.010.840.790.960.851.081.061.081.091.070.880.871.161.031.111.251.181.111.250.940.590.520.520.761.030.850.811.150.731.161.05
Glu/Phe/ThrME7798751.131.121.141.111.051.191.030.951.101.020.830.770.940.711.021.021.231.081.040.860.931.130.711.141.161.181.151.131.000.650.600.650.851.140.940.871.030.801.111.03
N-acetyl-tabtoxinine--lactamME7797401.101.191.071.071.151.211.060.941.121.020.760.720.810.661.061.081.081.031.030.940.881.090.691.121.251.201.161.161.000.650.530.570.771.111.020.851.070.791.191.09
beta-aspartyl-L-alanineME7798021.251.331.171.301.461.261.161.221.291.260.790.800.830.750.840.820.891.090.910.800.880.990.740.990.920.861.120.941.170.740.710.750.951.340.940.821.390.851.350.80
SerineME7799761.311.271.151.231.221.151.321.181.241.270.890.800.800.740.971.011.101.201.020.971.021.010.791.000.971.051.171.171.241.081.031.001.081.171.121.151.281.131.211.10
Phe/Gly/Lys/Lys/ProME7798611.400.950.941.490.940.931.220.921.031.261.371.120.470.270.970.880.831.210.781.411.470.900.551.140.910.871.240.901.091.221.040.680.660.950.970.891.050.790.830.90
Ala/Thr/Pro/HisME7798561.341.000.971.301.021.001.110.971.151.180.920.800.560.310.910.860.981.160.831.111.090.860.540.970.870.921.251.011.101.140.960.760.851.121.051.151.061.111.010.99
Lys/Val/Pro/TyrME7798301.280.881.001.400.990.991.210.961.031.230.970.860.530.301.050.860.851.170.771.161.290.860.521.120.920.911.151.021.111.130.910.720.841.100.900.960.990.940.911.10
N5-acetyl-N5-hydroxy-L-ornithineME7798471.511.061.071.510.910.981.361.110.971.441.041.020.480.301.070.950.781.330.651.221.300.920.420.990.930.941.180.941.241.020.920.690.750.940.790.821.090.740.890.98
Proclavaminic acidME7799551.410.991.081.401.011.011.211.051.011.290.900.780.400.191.051.040.901.240.781.261.290.900.340.980.961.071.121.121.060.870.720.570.671.040.920.921.100.750.951.24
Isoleucyl-AlanineME7799791.291.201.161.211.091.181.281.011.241.330.870.930.860.521.121.111.131.220.990.981.041.030.771.141.141.131.201.151.250.890.840.830.851.141.071.081.131.041.201.01
GlutamylprolineME7800031.271.191.201.201.221.291.160.991.251.220.880.780.700.391.181.141.131.180.811.031.131.080.641.141.201.221.281.261.120.930.780.710.751.271.161.101.231.061.221.18
IsoleucylprolineME7800101.241.281.201.231.171.251.281.011.201.250.880.830.750.461.201.121.091.220.941.101.131.050.691.181.221.211.221.221.210.890.820.810.811.161.151.121.220.991.211.16
2-hydroxysuccinamateME7799971.401.391.301.341.381.321.351.131.231.340.790.690.770.661.151.161.071.300.960.980.971.040.751.171.211.191.291.231.300.710.640.630.841.100.980.931.250.881.281.16
Isoleucyl-ValineME7800041.391.511.231.321.281.311.291.031.291.460.830.690.690.391.191.161.091.261.021.041.021.220.781.241.201.221.241.251.390.700.600.680.741.170.980.951.280.871.241.13
DethiobiotinME7800091.371.261.261.321.201.261.301.001.271.300.770.730.600.291.271.261.081.340.901.051.091.030.561.211.291.251.231.251.300.800.680.640.721.211.111.061.300.941.241.16
GlycylprolineME7799781.431.231.261.371.341.351.321.041.281.290.680.610.520.231.131.210.981.300.871.001.080.970.411.161.241.241.251.261.200.680.540.440.651.261.141.061.320.911.221.44
Ile/Ala/IleME7799381.221.371.101.171.141.291.071.011.211.220.780.690.710.361.081.091.031.130.900.910.951.000.821.111.161.101.201.091.130.820.670.720.651.110.940.921.191.001.110.86
Ile/Lys/ValME7799501.211.101.081.201.031.141.150.961.101.130.850.720.680.421.061.001.001.150.950.970.980.960.691.071.121.021.111.111.070.910.780.700.791.080.961.071.080.921.001.02
Pro/Val/Pro/ProME7798271.370.961.071.301.001.131.220.891.121.230.890.720.560.291.131.000.961.130.841.091.100.940.521.040.991.011.161.041.070.880.760.620.731.080.911.011.060.981.001.10
Ile/Lys/Lys/Thr/TyrME7799111.221.131.111.151.071.121.290.861.151.220.850.680.630.221.161.101.051.290.940.970.970.890.591.121.151.081.181.161.160.750.610.470.531.140.961.021.410.881.030.96
adenosyl-1,8-diamino-3-thiooctaneME7796491.141.131.111.091.071.031.141.011.171.170.740.840.520.391.161.100.911.160.841.061.050.920.561.091.141.131.141.061.090.820.660.590.701.071.010.911.160.951.141.07
HexobarbitalME7798571.201.081.121.221.131.051.200.921.161.160.800.790.400.361.141.071.001.150.901.011.070.930.441.071.111.061.161.191.110.790.690.600.721.111.000.991.140.881.121.03
3-HydroxyhexobarbitalME7799171.371.171.201.311.081.171.300.981.151.260.670.600.400.231.131.070.981.230.781.011.080.880.381.121.171.191.261.191.220.690.560.490.581.081.010.941.200.821.081.01
gamma-Glutamyl-gamma-aminobutyraldehydeME7799881.231.191.151.281.141.221.180.911.101.210.760.680.500.261.151.100.991.210.831.001.050.950.451.081.141.131.161.181.120.720.600.550.661.091.000.971.160.841.121.04
gamma-L-Glutamyl-L-pipecolic acidME7797191.231.221.121.221.201.151.270.931.101.180.680.650.540.311.071.141.021.190.880.941.000.950.541.171.131.161.191.161.150.730.630.560.611.091.000.951.130.891.141.02
Ile/Arg/GlyME7798801.120.971.031.141.071.211.050.851.141.050.770.610.620.251.091.021.031.140.981.000.980.930.551.121.141.151.111.121.020.800.630.650.751.101.001.041.080.961.161.21
Glu/Ile/TyrME7797041.211.151.061.201.191.171.041.001.251.190.820.700.550.211.121.021.141.080.991.081.030.920.551.121.211.131.171.140.990.620.580.540.591.111.031.031.141.001.111.01
Val/Val/ArgME7799191.241.111.061.261.111.121.150.821.151.160.860.720.590.161.101.000.991.200.971.021.060.970.561.091.131.041.151.111.070.840.670.590.641.081.031.081.140.981.051.03
Ala/Leu/Pro/HisME7798241.271.021.081.251.081.181.140.881.201.100.740.540.510.191.081.061.081.140.951.020.950.920.441.191.121.121.131.161.160.750.550.540.671.221.071.121.110.991.081.07
Ile/Ile/ValME7799621.231.161.131.211.191.171.170.871.201.200.770.630.490.141.091.071.051.210.990.981.000.900.531.141.211.171.201.151.100.750.530.450.561.181.031.071.180.981.110.98
Ile/Val/Pro/TyrME7799091.381.231.181.231.171.221.421.011.201.360.670.590.450.271.131.131.131.290.860.981.010.890.501.221.181.091.301.201.270.610.550.480.611.140.880.871.190.751.060.86
SubaphyllineME7799701.371.351.181.351.221.301.200.891.221.400.670.510.470.181.191.171.011.330.881.030.980.990.541.191.191.181.211.181.310.580.440.450.551.040.830.831.230.731.160.92
Phenylalanyl-TyrosineME7799471.341.121.131.551.181.141.171.001.081.330.710.530.380.161.191.001.011.300.781.141.260.730.371.101.131.191.191.151.150.660.410.340.591.141.081.011.170.881.091.00
Tyrosyl-TyrosineME7798531.431.161.171.421.031.051.281.041.121.360.860.650.410.191.171.060.941.280.861.221.190.800.351.101.061.071.261.001.220.760.480.330.571.120.960.961.140.871.090.96
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoateME7798891.341.071.001.351.041.101.211.041.051.200.900.840.740.581.040.990.961.170.881.021.031.070.591.061.061.041.151.031.110.680.630.550.781.050.820.741.110.661.001.18
Gamma-glutamyl-L-putrescineME7799601.321.271.161.211.231.221.261.051.171.290.740.690.600.480.990.960.941.220.850.850.881.020.610.970.971.061.191.211.210.800.700.720.840.930.790.851.250.781.141.03
Lysyl-Threonine_1ME7798841.511.231.211.361.251.221.301.071.231.350.640.530.590.341.081.110.951.300.670.970.900.890.531.031.131.161.261.201.210.710.600.700.830.880.730.531.210.741.091.04
Val/Gly/TyrME7796261.131.080.971.140.911.021.120.780.961.020.760.750.58NA1.040.981.001.200.920.911.050.890.670.961.101.060.971.041.070.880.880.750.661.040.920.841.170.930.931.34
Lysyl-Phenylalanine_1ME7798831.190.970.981.161.011.051.120.821.031.040.850.690.590.230.960.880.961.110.860.950.980.870.590.960.961.041.041.051.020.880.700.740.651.020.880.991.000.830.921.67
His/Leu/Lys/ProME7798011.240.900.941.320.991.111.140.911.081.060.850.700.570.230.971.010.921.070.831.141.120.900.491.011.010.981.060.990.980.840.790.680.741.050.901.001.030.840.951.45
Ile/His/LysME7799021.310.940.901.270.910.971.160.901.011.160.820.770.480.271.000.880.821.150.811.091.050.890.500.980.940.901.060.941.060.930.780.650.651.020.870.941.100.820.851.64
Leu/Gly/ArgME7798281.061.011.081.091.001.151.010.851.171.060.810.600.490.281.011.121.101.050.951.030.940.870.531.081.191.131.021.190.930.880.650.630.691.351.191.251.041.181.031.12
N-acetyl-tabtoxinine-lactam_1ME7797111.111.211.110.991.221.121.050.881.191.050.840.800.780.400.960.981.091.021.010.830.941.040.700.960.970.991.011.171.020.870.740.760.691.201.181.211.101.171.171.04
Asn/Glu/Glu/GlyME7797421.261.261.091.121.131.041.221.131.071.190.790.730.780.710.900.960.961.130.950.840.871.000.790.900.920.961.081.051.090.930.880.860.991.030.901.001.110.980.991.05
Thr/Ala/ProME7797441.161.171.001.111.121.061.110.961.011.110.850.850.810.650.951.040.951.050.920.860.990.960.790.901.020.981.121.070.970.840.750.680.751.050.900.871.050.940.961.32
Asp/His/Ser/Ser/SerME7796521.091.001.071.021.091.031.090.881.091.040.830.780.670.440.981.061.031.070.760.961.100.970.741.111.011.081.151.001.030.950.810.670.671.191.151.021.061.051.101.14
gamma-GlutamylalanineME7798901.041.071.051.041.181.140.950.981.121.040.850.780.780.520.981.031.021.010.820.940.991.080.791.011.091.081.131.130.940.930.780.760.781.111.031.001.040.951.041.16
Glu/Ile/ValME7799201.060.991.041.071.021.160.980.981.151.050.910.810.780.341.041.001.051.040.981.001.031.060.831.081.141.141.071.100.930.910.840.870.721.021.021.081.051.011.031.05
Ile/Ile/Lys/Ser/ValME7797821.140.951.051.121.091.101.030.931.201.100.900.800.750.451.140.930.991.060.890.950.981.070.781.101.101.091.061.090.980.940.890.840.891.071.011.081.020.991.080.99
3-O-(2-O-(decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acidME7796931.081.011.020.980.961.021.060.871.101.021.000.900.750.371.051.051.021.151.040.931.090.960.851.091.061.000.991.101.041.030.900.890.711.011.041.151.071.160.921.03
N-(3-hydroxy-3-methylhexanoyl)-L-glutamineME7796971.080.971.091.140.981.101.300.911.061.021.060.860.750.551.051.031.071.070.971.181.101.050.761.051.131.071.061.031.030.920.790.610.750.971.040.961.180.931.011.02
Ile/Ile/Ile/Ile/SerME7798651.100.961.011.120.941.061.050.841.071.011.030.960.800.481.031.021.061.001.011.061.141.030.791.000.991.001.011.080.970.960.860.790.821.021.001.111.111.041.081.03
Ile/Ile/Ile/Ile/ThrME7798771.141.081.101.161.031.051.160.881.101.101.040.910.720.501.051.020.981.090.901.071.100.920.781.080.990.971.071.031.070.860.860.710.711.010.991.141.140.901.061.00
Ala/Phe/Val/AlaME7798481.181.090.941.201.000.950.990.990.981.071.030.820.730.550.930.900.911.060.931.041.080.920.710.990.930.881.080.980.971.030.870.800.791.040.850.991.040.890.961.37
1-dimethylarsinoyl-heptadecaneME7797081.120.940.941.141.041.031.030.941.141.031.020.900.790.490.950.930.981.010.910.961.011.010.720.940.990.980.981.030.931.061.000.950.901.070.911.091.000.940.881.24
Ala/Leu/Thr/ThrME7796111.230.980.961.251.001.071.051.011.061.160.970.870.780.540.930.880.931.050.891.041.020.900.690.971.001.011.111.071.021.030.980.900.880.960.960.931.080.871.001.14
Ala/Phe/Pro/Pro/ValME7797141.121.000.981.150.980.961.070.911.021.161.011.000.580.411.080.991.061.170.981.051.140.820.641.090.970.991.031.020.971.211.120.900.731.051.041.111.040.970.960.99
Asp/Ile/Ile/Gln/TrpME7797021.081.091.061.160.950.981.100.971.101.130.920.920.740.631.070.950.991.100.960.981.000.840.781.010.991.001.010.981.031.121.140.930.841.011.001.100.991.021.070.96
FurazolidoneME7797390.981.061.051.011.121.090.851.281.091.021.301.461.271.360.980.971.060.991.161.071.161.121.350.971.061.021.070.990.901.351.441.241.231.041.001.040.961.181.030.06
Glu/Ala/ThrME7796450.960.950.931.011.031.080.971.151.001.000.790.961.021.560.920.961.070.960.611.001.181.081.670.931.031.010.991.020.851.090.701.051.070.960.920.940.910.970.951.06
hydroxy-N-acetyl-(L)-arginine_1ME7796091.111.451.290.921.291.351.210.901.351.070.600.601.381.151.181.171.241.181.110.640.601.101.161.291.251.171.201.191.180.680.651.061.081.101.041.061.191.091.101.10
Tryptophyl-SerineME7797690.801.060.820.691.061.021.000.820.880.930.980.861.401.331.021.111.240.981.120.730.871.211.110.871.280.910.841.041.030.930.770.941.221.110.881.201.021.110.891.04
Proline betaineME7796911.040.951.031.111.111.190.981.031.241.031.091.011.231.011.031.001.191.061.240.951.031.121.091.061.141.151.071.150.951.020.971.221.231.161.111.171.111.151.161.18
Glutamate methylesterME7798210.950.990.980.891.021.080.961.051.130.891.041.021.391.140.980.981.120.941.220.880.931.141.270.991.081.061.041.050.921.030.951.311.281.161.161.181.041.211.071.17
N-hydroxyisoleucineME7797220.901.031.050.861.181.180.900.971.250.870.980.901.421.101.061.141.170.971.270.890.891.191.241.121.221.151.041.200.940.930.901.191.241.231.151.181.061.221.151.30
4-Hydroxy-4-(3-pyridyl)-butanoic acidME7796941.061.201.151.031.151.191.180.991.201.050.940.891.341.271.131.101.141.091.230.860.881.181.091.061.161.101.071.131.090.940.881.061.221.121.141.191.111.121.141.13
CreatineME7799390.991.151.170.931.171.291.070.941.311.010.890.871.191.111.101.191.201.071.230.810.861.171.061.041.241.201.031.221.010.910.861.171.161.171.121.151.151.201.111.22
2-{[1-(R)-Carboxyethyl]amino}pentanoateME7797900.811.181.060.901.211.280.940.841.300.970.780.731.311.061.171.071.201.061.300.830.771.201.211.131.231.231.011.310.940.810.790.981.191.281.191.291.131.221.221.17
Methylimidazole acetaldehydeME7797760.901.301.260.891.321.271.200.871.350.930.740.711.341.251.181.131.251.091.160.790.721.251.161.121.251.211.051.231.010.800.771.161.171.191.151.221.061.221.181.10
N-MethylnicotinamideME7796380.541.051.090.671.031.270.890.891.050.760.800.811.261.071.141.131.141.111.140.720.821.011.071.081.201.200.941.270.910.780.841.081.171.071.081.070.981.091.101.06
Ala/Ala/Pro_1ME7797210.870.950.880.921.021.090.920.861.260.850.880.881.661.010.960.931.150.931.170.720.771.061.041.031.121.011.021.020.860.880.861.011.061.181.051.190.961.121.041.02
hydroxy-N-acetyl-(L)-arginineME7797870.760.950.920.731.051.200.840.741.290.780.760.661.411.020.940.911.220.891.220.580.631.231.121.041.171.131.001.200.800.720.670.971.211.161.091.271.011.191.121.16
Histidinyl-LeucineME7799811.411.081.101.380.971.021.311.161.031.341.271.260.840.741.111.060.931.250.881.321.361.110.871.020.980.981.180.991.181.181.141.060.931.000.921.001.130.910.961.05
CreatinineME7799461.441.021.011.350.880.911.321.200.911.351.321.430.970.971.010.950.921.180.901.311.380.950.840.980.930.901.180.941.221.261.251.051.050.940.820.881.110.860.871.04
prolyl-L-prolineME7799051.371.011.121.291.020.901.301.390.971.261.361.440.961.021.181.080.911.180.931.201.371.080.900.950.900.911.040.971.121.301.271.231.110.930.810.891.060.900.831.17
Alanyl-TyrosineME7797231.071.040.931.080.980.961.171.160.911.111.191.250.950.790.981.021.001.020.951.071.181.030.990.880.940.911.131.001.001.081.171.050.900.980.940.881.020.860.910.88
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate_1ME7796121.061.120.971.060.831.010.941.261.060.991.181.240.790.651.050.961.011.030.911.121.260.910.720.910.900.951.021.060.841.261.111.260.900.880.840.870.931.000.941.01
Phe/Pro/ProME7797490.910.901.001.070.970.970.901.051.021.151.221.170.800.621.001.001.061.101.051.121.200.920.830.990.990.911.001.100.901.241.211.120.920.980.901.020.951.010.940.89
Ala/Asn/Pro/ProME7798941.220.820.861.210.820.931.041.090.851.071.341.340.920.750.870.820.801.060.841.221.321.010.960.890.850.861.020.880.911.281.391.301.030.840.830.880.900.870.821.07
Ile/Lys/Pro/ProME7798421.180.860.901.180.870.911.091.060.981.071.241.180.860.600.960.890.811.070.901.131.120.940.710.930.940.941.040.900.901.211.321.200.960.970.800.910.970.950.811.12
Ile/Lys/Gln/ProME7798221.300.920.921.200.770.891.250.920.911.181.131.220.910.680.970.920.891.090.871.051.131.050.730.890.870.871.000.911.071.111.081.050.921.010.870.971.130.910.821.09
Ile/Ala/LysME7799251.240.930.941.310.860.941.140.950.971.151.161.110.700.470.970.900.861.110.831.161.200.890.690.960.950.901.080.981.051.211.070.890.880.990.870.950.970.910.871.11
Lysyl-TyrosineME7799151.211.010.971.110.900.941.120.900.941.181.201.080.760.490.971.010.971.010.851.151.190.970.820.920.900.891.010.911.071.301.101.010.761.011.001.021.011.050.901.01
N-hydroxytrihomomethionineME7796060.991.251.040.931.321.020.741.191.200.781.070.860.890.630.980.951.241.051.110.961.011.110.820.931.070.911.201.260.920.841.041.210.910.940.800.851.021.121.070.98
ThreonineME7799911.151.170.981.031.121.101.111.071.021.120.971.021.141.151.011.030.991.041.020.881.021.051.030.981.011.001.031.021.060.970.890.960.921.021.000.961.061.011.001.77
Deoxyguanidinoproclavaminic acidME7797790.990.900.910.930.920.820.990.890.991.050.900.891.121.090.850.930.871.000.900.790.860.900.910.840.860.890.971.011.090.950.860.981.060.880.880.830.980.970.771.68
Hypoglycin AME7796411.030.970.940.930.930.961.100.990.961.030.940.971.060.951.000.900.900.981.000.840.900.920.860.880.930.910.970.851.050.860.931.000.970.890.850.930.960.850.911.85
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate_2ME7798410.870.920.870.920.991.060.810.911.050.870.890.871.170.910.860.850.990.891.000.850.891.041.000.991.061.010.971.010.790.920.850.961.011.040.971.030.961.011.021.47
Ureidoisobutyric acidME7797800.981.041.031.011.051.100.950.941.040.950.870.891.040.840.970.920.981.040.980.860.831.010.950.971.051.031.001.080.930.870.820.910.920.970.870.940.940.940.941.37
Asp/Leu/Lys/ProME7798350.820.820.820.880.940.990.810.881.030.820.950.880.930.640.870.860.950.880.940.870.890.980.800.960.960.950.851.080.770.900.860.950.941.040.931.030.910.960.871.87
Ala/Leu/Thr/AlaME7798000.980.900.880.951.051.050.791.051.010.970.870.880.920.820.951.000.900.861.000.860.940.930.980.911.020.890.961.020.880.960.900.950.880.980.950.840.980.940.821.61
Glu/Pro/TyrME7798290.900.930.870.981.001.030.821.021.000.950.970.930.930.690.860.860.930.880.900.891.031.040.840.930.950.860.890.960.850.940.951.020.870.960.890.960.910.910.921.70
Ile/Gly/LysME7798460.930.730.800.920.850.980.750.871.060.801.060.970.930.540.850.780.970.871.021.011.020.910.770.921.020.940.920.960.671.191.041.030.971.140.971.270.851.150.821.59
Ile/Lys/SerME7798521.020.810.891.000.840.880.921.020.950.951.030.971.020.740.800.850.920.960.880.940.920.940.820.850.970.900.860.970.751.151.131.211.000.970.851.050.890.950.881.60
Glu/Pro/ValME7797470.860.820.860.980.871.000.811.000.970.841.111.071.180.900.860.830.900.860.960.951.021.040.970.980.980.950.900.960.761.031.051.241.110.980.920.990.911.020.911.43
Isoleucyl-LysineME7799740.950.800.820.900.810.930.910.911.000.911.101.081.110.830.830.840.930.900.950.861.000.990.970.880.920.840.820.860.781.101.111.221.051.010.901.080.911.080.801.58
Methyl 2-diazoacetamidohexonateME7796191.241.080.961.070.930.991.460.790.981.300.850.851.001.101.031.130.891.130.910.860.780.990.790.920.960.940.930.931.280.780.911.080.961.090.901.021.111.001.031.02
N-Acetyl-D-glucosamineME7796511.191.021.051.111.051.041.251.090.931.101.031.151.111.001.020.960.871.050.880.991.121.130.990.971.020.951.001.071.060.920.950.960.940.640.560.701.000.710.941.14
Ala/Ala/Pro_2ME7799401.101.070.921.101.161.111.030.981.291.020.920.921.180.930.720.710.980.921.030.790.861.090.930.810.760.841.011.060.981.000.891.001.031.201.101.141.111.171.111.04
GlutaminylprolineME7797780.971.151.050.941.101.180.990.911.330.980.740.801.380.940.750.790.980.941.100.700.811.071.000.820.810.891.061.170.890.790.800.921.051.241.181.161.111.261.191.06
N-a-Acetyl-L-arginineME7796330.850.960.930.810.901.070.820.841.090.930.780.931.140.980.971.031.080.991.270.800.811.141.041.011.090.871.141.110.840.840.721.030.981.221.090.941.201.080.981.19
3,6,8-TrimethylallantoinME7797121.001.120.970.941.101.081.050.801.190.990.820.801.361.000.950.961.021.031.070.750.811.081.010.991.120.971.041.061.060.880.790.910.981.110.951.101.071.040.981.05
4-Methylene-L-glutamineME7798430.951.071.000.841.011.191.050.791.130.910.780.731.391.020.990.961.130.931.090.750.771.061.031.011.091.051.021.031.030.810.760.901.011.181.101.101.061.081.151.13
Carglumic acidME7797751.001.110.980.921.121.281.070.751.200.980.780.651.240.950.961.021.070.971.040.690.711.070.941.001.191.021.021.071.000.770.720.760.911.181.141.111.101.111.131.06
MetharbitalME7797411.091.131.071.121.111.241.121.001.161.100.800.861.030.921.040.961.101.070.920.780.831.000.881.131.181.131.191.151.050.810.860.871.021.000.930.930.980.961.041.01
L,L-Cyclo(leucylprolyl)ME7797381.101.130.971.061.101.161.140.931.151.070.810.800.990.860.930.950.971.061.000.780.860.900.891.021.100.921.111.041.020.910.870.880.951.111.021.011.061.051.041.05
Alanyl-HistidineME7796751.001.201.010.960.931.150.980.971.181.030.880.881.060.940.941.001.021.041.040.790.801.001.041.031.061.051.081.080.920.890.850.830.991.080.981.021.071.081.011.02
HomocarnosineME7796961.091.251.011.001.061.191.070.931.141.040.920.861.101.040.990.971.051.051.040.790.790.961.141.041.080.991.091.050.920.940.790.860.971.060.980.981.081.070.961.02
gamma-GlutamylleucineME7797511.141.210.910.991.191.021.091.030.911.081.080.900.781.101.120.970.911.050.820.790.841.021.130.991.101.001.030.941.090.991.080.730.910.851.050.941.101.120.961.01
Hydrogen phosphateME7798991.271.301.161.191.291.231.231.171.161.190.991.001.131.041.151.081.091.191.060.921.001.141.091.081.191.131.161.181.130.970.950.881.000.940.871.021.071.021.071.02
Pyrroline hydroxycarboxylic acidME7797601.161.011.231.141.141.101.161.161.171.261.061.090.881.041.051.091.081.221.091.031.160.971.091.191.170.921.081.111.291.081.030.881.041.081.131.041.310.991.111.03
Val/Pro/ArgME7799661.201.081.101.191.041.091.071.151.111.141.261.150.910.761.151.061.071.121.001.121.241.100.941.121.071.021.161.151.101.251.081.151.061.080.981.091.121.031.121.11
Isoleucyl-SerineME7799871.251.201.131.221.081.141.231.121.131.241.071.020.910.771.191.121.061.181.021.111.151.130.881.091.121.111.171.140.961.050.970.980.941.101.001.071.121.041.091.09
Lysyl-ProlineME7799821.151.131.061.161.021.091.130.981.101.121.061.030.870.741.051.091.031.111.011.011.131.000.861.011.081.051.141.081.031.000.931.000.871.131.051.081.121.081.021.23
MaculosinME7799490.951.170.981.001.201.140.851.121.131.121.121.131.141.190.991.041.161.081.140.961.111.261.181.051.150.941.161.061.031.171.141.111.141.231.121.151.041.181.090.97
Glutamic acidME7800061.181.201.051.111.131.141.141.151.071.130.990.971.081.061.051.111.031.110.970.991.071.051.031.071.101.081.101.091.121.060.961.031.051.011.010.981.111.011.111.38
ArecaidineME7796221.171.181.071.091.001.031.200.991.061.241.001.141.141.051.141.130.991.141.000.921.141.121.061.051.040.931.111.061.081.071.110.971.161.021.070.991.051.081.001.14
GlycylleucineME7799421.241.111.111.171.071.151.171.131.161.201.041.011.090.931.121.041.051.181.011.021.121.111.011.081.131.091.141.091.101.041.061.031.071.050.991.071.151.031.061.09
hexenedioylcarnitineME7796201.161.161.051.161.051.151.241.081.181.221.101.141.070.941.041.040.981.140.970.961.051.100.951.061.120.901.141.071.181.091.001.061.041.070.961.031.131.040.971.08
CaffeineME7796341.181.131.081.160.941.081.170.971.141.131.051.111.151.121.091.001.111.061.011.081.211.221.041.081.020.961.140.961.231.150.991.141.121.021.071.141.121.071.141.15
SolanocapsineME7797581.071.101.051.041.011.071.061.061.111.131.171.251.151.211.081.091.171.101.130.981.121.071.151.101.140.991.081.051.071.141.151.271.141.111.091.211.101.091.030.99
AlanineME7799711.141.091.081.081.111.061.121.131.021.101.111.151.241.141.021.040.971.121.000.971.051.121.141.011.081.041.061.041.051.201.161.241.190.990.950.981.101.051.021.32
LysineME7799951.151.151.051.071.121.101.161.141.121.121.161.251.181.181.041.091.021.131.050.991.051.141.181.031.071.041.101.091.071.211.191.141.131.071.021.101.101.150.971.08
LeucineME7800121.111.081.061.071.071.071.111.141.101.091.161.191.201.191.051.051.051.091.081.061.111.141.171.071.061.081.071.071.051.161.181.181.201.051.021.061.101.081.051.12
ProlineME7800131.081.111.061.091.061.051.131.061.081.081.121.111.161.131.071.081.111.071.061.051.091.131.121.051.091.071.021.051.071.111.131.201.151.061.031.051.061.101.091.23
ClitocineME7797341.101.141.111.081.071.101.101.101.111.051.121.111.061.001.041.111.101.121.031.001.091.071.021.081.051.051.091.131.111.111.041.151.001.051.031.021.031.121.131.10
DihydrothymineME7799361.161.121.061.091.111.121.141.131.071.141.071.041.081.051.081.091.071.131.100.961.071.151.071.091.031.001.141.051.091.121.041.081.111.071.001.071.081.061.041.26
Pyroglutamic acidME7800081.151.131.081.141.081.131.171.151.121.141.061.071.181.161.091.091.061.121.010.941.021.161.081.061.081.081.121.071.111.101.071.151.151.101.061.081.111.091.061.13
Dihydroclavaminic acid_1ME7796391.031.111.030.991.000.930.931.190.960.970.981.000.720.750.841.001.001.060.700.951.100.900.820.830.940.910.991.020.911.081.111.010.960.960.961.000.870.910.971.35
5-Acetylamino-6-amino-3-methyluracilME7796431.091.000.951.050.920.921.140.791.031.090.890.911.321.010.990.970.980.940.990.930.891.090.990.981.160.851.020.871.100.990.990.970.941.121.121.091.091.010.951.00
Val/Pro/Arg_1ME7798681.090.870.831.140.810.971.100.820.981.081.071.101.331.100.870.850.901.030.951.001.050.950.950.950.950.811.070.861.071.201.131.011.111.030.990.981.040.990.951.01
Lys/Lys/HisME7797671.221.181.011.011.061.021.221.031.181.171.021.090.961.060.930.940.871.080.860.740.961.021.030.950.980.871.101.000.991.050.940.780.921.060.850.941.061.000.840.99
DIBOAME7798401.131.170.971.020.970.931.161.050.951.100.920.901.021.140.981.000.920.980.900.780.911.031.000.820.890.840.940.901.030.960.840.920.900.990.920.901.010.930.841.37
Phenylalanyl-ValineME7796271.221.171.011.080.930.981.100.971.001.120.880.911.030.841.000.950.961.070.980.961.091.010.930.990.921.040.971.021.090.930.910.971.071.131.010.961.030.970.910.96
4-(2-Aminophenyl)-2,4-dioxobutanoic acidME7796801.201.151.011.001.001.031.120.950.960.991.030.971.011.001.040.900.881.030.950.950.991.050.930.950.940.940.930.931.151.010.871.161.030.950.920.950.990.920.981.10
4-(3-Pyridyl)-3-butenoic acidME7796621.091.080.960.980.991.071.220.991.071.131.000.901.080.991.001.040.931.070.950.920.970.960.900.931.100.820.980.981.140.930.890.941.080.950.890.961.040.901.001.03
gamma-Glutamyl-beta-aminopropiononitrileME7797301.231.111.061.090.930.991.320.910.961.140.950.941.061.051.041.080.921.140.930.850.911.000.920.890.960.911.000.951.150.910.921.000.980.940.880.921.140.930.871.03
Ile/Arg/ThrME7799131.130.930.941.090.860.951.090.991.031.071.020.980.890.660.930.990.981.060.961.051.051.000.760.920.990.990.990.990.981.191.121.241.061.070.951.140.991.070.891.13
Lysyl-ThreonineME7799101.121.100.971.011.031.051.041.041.121.060.950.920.870.740.880.890.971.010.940.890.981.000.870.860.860.941.011.020.971.101.010.990.961.141.111.180.991.170.931.04
N-acetyl-tabtoxinine-lactamME7797171.050.890.900.990.941.140.870.991.100.850.940.891.140.860.940.911.000.891.000.870.921.001.041.021.101.050.891.050.860.940.930.981.011.121.111.030.971.031.051.18
Gamma glutamyl ornithineME7797700.960.960.971.001.071.170.930.981.120.990.980.941.050.890.900.931.021.041.040.890.931.070.980.941.051.021.001.080.831.030.971.011.101.090.961.020.911.030.911.06
PentostatinME7797561.001.000.920.981.011.110.910.891.140.970.960.991.200.960.880.901.020.961.010.870.941.051.030.961.000.971.031.000.941.020.951.031.061.121.081.070.971.071.021.03
15-dimethylarsinoyl pentadecanoic acidME7796421.030.900.941.081.040.990.841.091.051.001.151.101.040.850.870.900.910.930.970.971.091.000.941.000.970.940.991.080.851.101.031.071.021.080.961.030.961.010.971.05
Val/Gly/ArgME7797971.020.890.941.050.950.990.881.011.000.971.031.051.080.680.920.850.990.971.060.991.030.940.900.951.020.980.971.070.881.061.071.000.931.061.031.040.991.070.981.13
Glu/Arg/ProME7798820.920.900.901.020.931.050.770.981.100.921.111.090.990.740.920.961.040.990.941.041.121.110.950.991.041.001.021.140.811.081.041.221.041.061.011.030.891.041.021.02
Glu/Glu/ProME7796600.870.880.951.001.011.130.871.041.060.871.101.091.170.890.890.901.010.931.050.921.111.101.001.021.071.001.061.090.771.040.961.191.090.980.921.000.911.040.961.05
N2-gamma-GlutamylglutamineME7797811.061.111.030.990.940.981.061.220.961.051.081.100.980.940.890.990.881.080.800.920.990.890.940.850.890.890.910.920.931.261.131.121.050.990.920.881.030.990.861.13
GlycyltyrosineME7797841.170.990.971.090.900.981.121.040.941.081.061.090.960.940.930.950.911.000.900.981.091.030.910.920.950.920.980.910.971.031.060.940.950.910.810.911.000.890.871.21
N6-Acetyl-N6-hydroxy-L-lysineME7799581.151.050.941.040.890.951.081.080.921.041.101.141.031.040.960.940.931.050.930.981.091.021.030.920.910.911.020.930.991.151.091.151.000.910.910.950.990.990.871.02
TemurinME7798781.160.930.931.120.860.971.081.001.011.061.171.181.071.040.930.890.891.040.871.011.100.970.970.910.900.880.980.881.041.091.151.141.080.980.940.940.990.970.881.01
ValclavamME7796860.990.970.901.001.001.030.971.030.970.921.101.011.211.070.950.971.010.901.011.031.031.131.181.001.030.981.030.970.901.061.071.221.060.861.021.000.900.960.970.99
Glu/Phe/ProME7796770.991.010.870.930.980.990.921.011.051.021.051.121.161.070.950.861.030.921.020.910.991.041.030.890.980.890.971.060.911.081.071.241.170.950.930.941.051.030.951.06
N5-acetyl-N5-hydroxy-L-ornithine_1ME7797061.041.090.971.021.071.021.091.051.041.051.011.101.141.150.951.000.971.050.970.880.981.011.110.930.980.921.021.020.961.081.101.061.091.020.941.041.041.040.920.99
N6,N6,N6-Trimethyl-L-lysineME7796131.001.070.951.050.991.010.941.131.051.001.081.051.141.100.900.910.961.031.050.931.000.971.000.881.020.840.950.940.931.141.021.101.111.020.951.050.951.020.871.01
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazoleME7797621.031.010.901.101.001.020.920.961.041.021.091.051.160.870.890.900.950.950.980.981.101.010.981.001.040.961.090.950.901.081.070.951.070.980.891.040.981.000.921.03
SimmondsinME7796480.971.020.911.101.021.030.950.951.111.071.011.001.230.970.850.900.910.980.940.971.011.090.981.061.090.881.030.900.961.091.010.911.031.051.011.021.100.980.961.00
CarnitineME7797371.040.971.071.001.031.091.070.951.181.070.950.981.130.991.031.071.021.051.010.920.941.051.120.981.151.021.011.030.980.950.931.081.091.051.020.991.121.020.991.08
Phenylalanyl-GlycineME7797881.011.001.101.021.061.111.031.011.060.930.991.031.010.961.020.990.961.101.010.871.001.060.960.911.050.991.071.030.901.010.921.151.021.031.030.980.970.980.991.04
2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic acidME7796290.881.161.030.970.940.941.050.981.051.041.081.061.011.001.021.030.921.120.960.941.041.030.881.031.050.920.961.020.991.031.001.091.030.980.930.980.970.990.951.00
DL-2-Aminooctanoic acidME7796721.081.021.021.031.081.081.110.941.031.050.970.961.031.101.001.060.941.120.950.840.940.951.020.940.970.940.980.981.041.000.970.951.000.970.900.911.031.000.981.04
N6,N6 dimethyllysineME7796071.101.040.971.071.040.981.111.041.021.110.961.061.061.030.970.950.971.070.950.850.950.900.960.991.020.951.020.970.991.001.030.921.010.960.880.881.050.990.851.06
1,2-Benzisothiazol-3(2H)-oneME7797681.010.971.021.011.021.000.991.011.001.031.010.981.001.021.021.011.001.021.001.001.000.990.960.991.000.991.001.041.010.990.991.001.000.970.981.021.020.980.991.00
Brassicanal BME7797630.991.021.030.971.021.001.031.031.010.991.001.021.001.051.011.020.970.970.941.020.980.960.961.011.011.010.990.981.021.010.980.950.960.961.000.951.000.971.001.02
quinonoid dihydro-(6H)-biopterinME7798331.090.970.981.100.930.971.130.951.011.080.991.021.081.010.940.910.921.040.910.920.941.070.990.971.010.921.070.931.080.970.981.051.101.000.941.031.051.000.961.01
Glycyl-ValineME7798731.141.050.991.070.971.051.051.021.061.021.010.991.140.900.910.910.941.050.900.950.971.100.920.971.050.970.990.990.990.960.981.041.000.940.910.951.010.960.931.08
Valyl-GlycineME7798761.111.061.031.071.011.041.081.001.021.080.970.981.040.901.010.990.951.080.970.951.021.060.951.001.031.021.081.030.980.950.920.990.961.000.921.011.020.940.981.04
3-MethyluridineME7799040.991.000.911.010.971.050.941.050.970.980.990.991.101.050.970.970.990.930.820.860.951.030.990.920.980.890.950.960.961.041.011.110.990.980.990.980.990.980.961.23
GlutamylthreonineME7799220.981.000.961.011.051.040.951.090.951.041.031.000.960.830.910.990.960.940.830.981.061.050.950.940.960.951.040.990.911.081.021.070.970.970.960.910.960.960.941.20
Asp/Met/Met/ProME7796081.031.050.961.001.021.070.921.141.031.071.021.000.940.810.990.970.951.120.970.890.980.971.010.991.000.921.030.960.881.241.051.031.060.970.901.011.001.000.971.01
Pro/Val/Val/SerME7797461.111.001.031.131.011.041.081.091.031.081.091.090.980.821.011.020.991.070.971.031.081.050.990.991.000.991.061.000.971.111.071.041.031.020.900.991.010.950.971.02
Ile/Lys/ProME7799241.100.940.981.060.941.001.051.060.981.031.121.060.910.811.030.960.971.010.991.021.071.000.890.971.030.951.011.040.971.051.041.071.020.950.960.970.960.920.941.01
Threoninyl-TyrosineME7798231.110.971.001.110.971.041.041.020.981.091.111.050.910.781.020.971.001.040.971.031.090.950.910.990.980.981.070.980.961.051.041.030.920.980.910.961.000.950.900.99
Ile/Pro/ValME7799831.011.070.961.001.011.050.911.041.030.961.000.991.010.890.971.000.950.990.951.021.051.030.980.971.021.020.990.990.911.060.951.181.040.970.961.060.950.990.971.05
Ile/Ser/ValME7799771.031.000.951.120.981.010.971.041.040.940.990.990.940.740.991.000.981.060.951.021.090.931.010.911.001.040.990.980.951.070.991.080.900.970.981.050.981.021.001.06
Phe/Pro/Pro/Val/ValME7798340.960.980.951.041.031.030.831.001.100.981.111.100.900.510.931.001.030.971.041.021.121.070.970.951.101.011.041.050.871.131.040.880.791.100.991.110.981.070.981.00
Ala/Ala/Asp/ProME7797641.041.021.011.051.031.181.010.991.130.961.061.011.100.900.860.931.001.100.990.951.051.170.970.981.061.001.141.130.940.980.860.860.991.000.920.910.900.860.891.01
Glu/Leu/ThrME7797941.121.020.981.131.171.150.990.991.221.010.971.000.990.720.940.960.951.041.040.930.901.160.921.121.091.031.011.080.880.820.800.720.881.111.001.001.120.891.000.99
Phe/His/Ile/Arg/TrpME7796951.111.131.071.011.061.071.210.851.021.260.890.800.830.661.031.091.101.020.981.040.910.880.840.961.021.061.091.001.060.990.861.050.800.981.091.081.040.961.040.98
Ala/Lys/Val/SerME7797731.051.110.921.030.991.070.861.021.091.050.920.930.880.690.960.951.021.101.000.961.050.940.901.011.050.961.141.230.890.990.770.831.001.110.940.971.121.111.101.00
Ile/Gly/ValME7798590.921.131.020.850.971.110.980.901.131.020.920.810.920.801.041.041.071.030.930.900.971.000.981.061.111.100.951.060.980.960.830.960.880.931.011.041.011.131.091.09
Thr/Thr/AlaME7796161.121.031.101.091.081.071.201.011.011.060.870.860.890.720.941.080.941.131.000.920.971.010.950.981.061.041.151.011.040.960.930.990.911.020.940.981.081.000.930.95
Ile/Ile/ProME7799851.061.061.031.041.021.081.001.011.011.040.940.920.880.761.021.021.001.050.990.951.041.020.941.021.051.021.041.030.960.970.841.000.860.980.990.981.070.961.081.04
Ile/Ile/Pro/ProME7799731.011.051.031.001.061.180.941.051.051.000.990.960.920.760.981.021.020.990.990.911.041.040.981.041.081.041.071.060.891.030.921.140.881.000.971.011.030.991.080.96
AminohydroquinoneME7796760.870.920.871.011.150.940.871.031.040.861.481.521.801.380.830.781.120.781.331.091.261.151.360.991.120.900.920.970.891.561.581.251.111.121.271.011.031.180.861.12
Dethiobiotin_1ME7799350.960.971.021.021.051.041.011.201.090.651.371.491.541.711.010.701.071.021.150.981.081.201.420.981.090.990.991.050.931.281.371.461.461.030.951.111.021.090.991.10
5^-Phosphoribosyl-N-formylglycinamideME7797650.770.780.930.730.991.100.531.360.970.721.331.451.100.931.000.921.010.891.181.101.211.121.190.920.981.130.951.180.541.231.291.151.160.920.891.040.741.070.820.95
Ile/Arg/ProME7799260.760.680.880.790.540.820.721.000.840.831.371.401.161.060.841.101.100.931.101.081.171.031.140.991.090.970.901.020.721.351.541.461.151.110.961.080.911.130.680.95
SucroseME7799301.221.131.001.161.041.071.161.011.161.101.031.091.271.180.980.911.251.001.271.031.090.981.110.991.030.901.051.141.091.090.951.461.271.151.231.181.091.181.021.11
Cyclo(deltaAla-L-Val)ME7797240.941.091.031.041.041.041.051.131.021.031.211.281.331.300.931.081.130.891.161.021.051.221.491.101.061.111.100.941.001.171.211.351.220.991.141.100.981.251.031.11
FasoracetamME7797530.970.951.001.040.981.081.071.131.130.931.181.271.381.451.001.021.011.021.091.041.101.211.351.051.110.980.951.020.951.201.231.521.401.051.051.120.971.181.041.14
IndoleME7797011.040.881.010.980.931.091.101.141.021.041.211.321.361.281.001.101.051.061.080.981.061.141.180.921.060.991.061.021.041.351.381.361.221.041.041.200.981.081.001.09
ValineME7800021.101.060.991.040.971.061.061.111.011.031.181.231.271.261.021.051.051.061.091.011.101.091.181.001.061.011.021.051.041.191.221.291.251.011.021.121.061.151.021.23
IsoleucineME7800071.141.061.051.061.031.071.121.211.081.101.221.271.321.351.041.031.011.051.081.041.081.121.200.980.981.021.061.031.071.241.251.351.250.991.011.081.051.130.991.10
PhenylalanineME7800111.071.011.041.060.971.031.041.141.061.071.221.271.301.311.021.041.071.031.101.051.121.151.230.971.010.971.061.021.011.211.231.331.261.011.021.081.051.131.001.11
HistidineME7799981.221.000.981.150.941.001.191.190.981.151.291.371.161.171.000.960.941.071.011.101.231.061.040.970.980.921.040.971.061.251.291.261.160.950.930.981.031.010.961.33
phenyl sulfoxide_1ME7796151.240.980.991.120.850.961.331.041.161.051.201.181.191.070.871.041.111.081.110.961.080.950.990.970.940.930.871.011.101.191.151.231.241.081.041.181.031.261.011.31
2,3-diacetamido-2,3-dideoxy--D-mannuronateME7798740.890.900.920.931.031.010.811.281.010.851.091.211.190.940.890.910.920.930.970.921.041.051.170.930.990.961.001.000.731.151.121.241.160.950.891.000.921.020.911.11
Glu/Ile/ProME7799531.000.840.901.020.840.980.901.090.950.951.191.221.110.900.910.880.920.940.961.031.141.121.120.940.950.920.910.960.841.181.201.241.120.940.871.010.910.970.941.09
2-Amino-a-carbolineME7796630.810.800.790.860.870.910.721.070.860.851.221.281.401.160.790.800.940.861.011.021.071.011.030.870.870.940.850.870.681.201.291.311.180.940.810.980.821.040.831.42
Adrenochrome o-semiquinoneME7799920.860.800.800.890.870.920.751.120.960.831.311.381.421.210.830.830.950.851.021.041.101.081.190.900.960.920.880.920.731.301.371.411.300.920.891.000.851.090.881.45
acinetobactinME7796360.810.800.811.050.830.980.791.151.000.931.311.371.441.090.840.770.940.840.931.041.231.141.110.960.940.910.930.890.751.221.351.351.250.940.880.980.820.990.861.04
Asp/Leu/Pro/ProME7799140.910.790.860.940.900.950.761.060.980.891.271.271.341.110.860.850.920.941.011.041.101.221.300.910.980.940.930.960.741.141.221.431.260.870.870.920.850.990.881.09
Kyotorphin_1ME7798071.060.930.921.000.860.911.090.991.021.011.121.201.171.180.940.930.771.020.730.880.981.011.060.930.890.860.950.880.971.161.251.361.250.930.941.031.041.100.841.04
N1-(2-Hydroxyethyl)flurazepamME7796280.920.910.790.950.811.020.981.041.050.871.121.101.391.290.900.870.980.970.860.880.981.010.980.830.990.940.930.950.911.091.041.131.321.061.031.160.901.030.861.10
Gly/Lys/Arg/Arg/ValME7796920.880.840.940.910.940.881.000.931.010.961.251.221.041.050.961.000.990.941.061.080.970.901.000.911.060.980.951.050.931.121.231.231.050.920.981.050.931.100.890.99
N-hydroxy-tetrahomomethionineME7797270.760.871.000.800.860.900.830.980.920.891.221.361.131.300.941.011.070.911.141.020.950.991.160.911.010.920.891.010.831.201.291.161.170.900.961.020.931.170.870.99
Lysyl-Glycine_1ME7798261.000.910.960.931.021.000.961.011.070.901.081.000.980.981.000.950.971.001.000.850.890.930.730.940.980.980.940.990.811.351.401.431.340.900.951.300.951.280.880.90
Epsilon-(gamma-Glutamyl)-lysineME7799480.860.840.890.860.880.960.791.101.060.851.141.171.171.110.890.930.970.850.980.900.981.001.040.880.980.930.860.940.771.261.281.541.270.921.001.260.841.330.811.07
Lysyl-GlycineME7798690.900.870.890.860.900.950.861.031.010.881.221.231.261.140.860.880.920.901.030.820.971.041.110.890.960.870.890.950.781.361.331.401.200.960.961.220.841.300.791.03
HomocitrullineME7796580.820.940.850.820.970.920.960.821.040.881.101.101.471.470.860.961.080.821.090.841.041.071.190.850.920.860.810.820.831.131.081.101.091.101.101.131.011.200.781.13
ThymineME7796700.700.840.840.671.050.960.770.931.030.761.111.131.531.280.870.830.980.821.200.870.891.131.310.890.920.890.820.970.801.151.161.331.171.091.111.210.851.211.041.12
Lysyl-Tyrosine_1ME7797740.910.870.870.840.860.890.900.980.920.871.211.031.541.510.790.850.920.941.080.770.861.051.220.810.910.800.830.830.811.401.391.731.360.950.991.220.861.260.771.06
Majusculoic acidME7796680.790.860.940.890.730.930.881.050.920.821.151.261.641.600.880.871.060.811.150.900.951.101.300.860.890.850.830.840.851.131.291.581.420.940.980.930.921.100.831.02
AgaritineME7796870.960.950.900.930.860.881.001.011.010.901.091.241.291.590.890.930.980.981.030.881.031.131.170.830.890.960.820.840.961.071.201.411.290.910.880.890.981.010.981.01
N-lactoyl-Tryptophan_1ME7796660.950.990.930.810.810.890.871.010.880.891.201.211.371.330.930.981.020.931.070.840.901.071.240.920.930.900.910.900.901.101.181.421.300.970.931.010.891.060.831.07
Leu/Gly/ProME7799610.840.880.850.880.860.930.821.120.920.851.341.301.331.350.890.840.980.871.041.041.031.111.350.880.900.890.900.890.801.281.321.571.350.860.931.010.841.050.870.99
Lys/Pro/ProME7798540.910.860.910.850.950.910.831.220.870.901.281.411.371.590.890.901.000.890.910.961.071.161.370.840.880.910.900.930.791.151.101.451.300.840.790.910.870.910.841.07
Nicotinic acidME7799510.060.070.640.070.060.620.080.900.500.082.092.342.512.921.261.471.450.591.601.061.131.012.061.101.521.280.500.920.081.832.082.501.980.851.331.400.911.560.121.08
pentaethylene glycolME7797030.541.101.141.231.020.990.780.741.080.671.710.942.222.390.830.770.931.181.111.090.521.801.191.000.960.891.061.301.040.730.602.021.050.811.051.010.871.151.720.96
N-Alpha-acetyllysineME7796640.450.570.610.460.530.600.511.210.770.511.901.962.452.650.500.681.030.561.431.111.411.142.110.650.610.510.540.580.521.842.032.371.670.921.151.300.601.630.531.50
PI(20:1)ME7796780.710.710.690.690.510.740.721.170.680.681.932.012.112.360.660.750.940.671.070.911.231.361.960.620.760.690.630.780.631.441.802.251.630.750.610.850.710.910.610.98
Asp/Phe/Ile/Pro/ProME7796980.530.610.680.650.680.820.481.220.720.531.751.902.112.390.620.770.980.551.041.031.231.371.870.690.880.830.600.830.501.471.642.191.750.660.700.850.611.090.661.07
Cys/Gly/Pro/Arg/ArgME7796990.670.490.650.600.700.730.451.280.840.581.852.061.922.510.670.730.920.521.131.081.181.301.830.670.850.750.710.720.541.571.651.891.670.760.840.980.621.110.680.95
Ala/Gly/ProME7798250.900.870.810.820.810.880.891.280.820.871.191.721.902.370.810.780.750.830.820.751.031.231.420.760.760.780.800.810.820.961.231.691.550.830.770.730.810.790.701.25
Ile/Pro/ThrME7798150.800.700.810.800.800.820.751.050.740.791.451.571.881.940.780.851.030.801.090.891.111.111.600.770.920.790.790.810.641.261.491.941.640.850.830.970.771.020.770.97
Pantothenic acidME7798870.780.890.860.800.750.820.831.110.970.821.371.421.551.580.900.931.090.871.161.011.111.181.550.820.940.860.850.880.791.431.451.871.531.051.111.240.871.370.891.11
6-{[3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidME7796790.810.840.750.880.950.960.691.441.000.831.591.731.731.560.780.800.990.821.161.121.241.301.580.841.030.850.950.900.641.481.741.611.570.880.831.110.741.180.790.34
Val/Gly/ProME7798600.750.760.820.770.800.800.661.360.780.771.601.691.361.260.790.820.930.791.050.981.231.191.490.740.790.830.770.880.631.701.801.851.420.720.730.930.691.030.781.02
BetaineME7797610.640.690.760.760.870.950.531.041.110.691.531.491.471.200.810.971.340.831.741.251.271.211.360.890.920.870.981.030.561.411.351.511.271.401.371.460.961.590.871.16
Lithocholate 3-O-glucuronideME7796850.810.700.660.770.550.620.811.100.960.681.451.631.221.160.810.870.890.651.061.041.181.101.190.670.690.610.770.650.691.862.231.361.150.761.291.550.671.810.581.00
5-Aminopentanoic acidME7797500.800.770.760.720.770.720.801.140.960.771.511.501.751.750.750.891.190.841.191.091.131.011.530.700.730.660.860.690.781.821.962.191.641.111.381.640.801.740.681.12
Pipecolic acidME7797360.760.720.720.710.710.790.771.031.100.741.531.601.731.510.770.730.960.771.171.011.301.071.680.740.730.720.740.790.741.871.882.591.581.011.271.590.761.820.701.27
Ala/Lys/Gln/SerME779688NANA1.66NANA2.03NA1.390.42NA0.760.931.231.081.591.691.120.740.740.811.081.651.211.381.961.340.660.51NA0.931.131.211.070.300.360.450.130.66NA1.12
3-Amino-2-piperidone_1ME7796590.310.221.250.300.201.480.250.660.350.191.111.291.421.422.652.721.341.010.901.191.141.031.422.223.421.960.800.780.201.071.441.851.330.390.500.610.250.710.221.39
CitrullineME7799990.020.021.140.020.011.250.020.700.150.021.151.391.391.462.933.161.451.030.951.201.221.091.692.473.622.200.830.760.021.231.631.861.390.340.440.550.150.700.021.44
1-HexylglycerolME7797070.020.761.070.021.552.250.030.020.020.031.281.361.551.131.261.251.391.161.332.272.632.842.392.462.562.532.262.470.020.020.020.020.480.020.020.020.020.020.021.37
8-HydroxypurineME779625NA0.440.61NA0.871.31NANANANA0.750.790.850.690.760.670.770.680.771.351.561.661.331.391.491.421.271.44NANANANA0.78NANANANANANA0.79

Factors:

F1treatment:BR_Cefto3g_0h
F2treatment:BR_Cefto3g_215h
F3treatment:BR_Cefto3g_47h
F4treatment:BR_Cefto6g_0h
F5treatment:BR_Cefto6g_215h
F6treatment:BR_Cefto6g_47h
F7treatment:BR_Control_0h
F8treatment:BR_Control_215h
F9treatment:BR_Control_47h
F10treatment:M_Cefto3g_0h
F11treatment:M_Cefto3g_143h
F12treatment:M_Cefto3g_167h
F13treatment:M_Cefto3g_191h
F14treatment:M_Cefto3g_215h
F15treatment:M_Cefto3g_23h
F16treatment:M_Cefto3g_47h
F17treatment:M_Cefto3g_71h
F18treatment:M_Cefto3g_7h
F19treatment:M_Cefto3g_95h
F20treatment:M_Cefto6g_143h
F21treatment:M_Cefto6g_167h
F22treatment:M_Cefto6g_191h
F23treatment:M_Cefto6g_215h
F24treatment:M_Cefto6g_23h
F25treatment:M_Cefto6g_47h
F26treatment:M_Cefto6g_71h
F27treatment:M_Cefto6g_7h
F28treatment:M_Cefto6g_95h
F29treatment:M_Control_0h
F30treatment:M_Control_143h
F31treatment:M_Control_167h
F32treatment:M_Control_191h
F33treatment:M_Control_215h
F34treatment:M_Control_23h
F35treatment:M_Control_47h
F36treatment:M_Control_71h
F37treatment:M_Control_7h
F38treatment:M_Control_95h
F39treatment:M_ControlWS_0h
F40treatment:Pooled_QC
Data matrix
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