Clustering data with hclust algorithm for (Study ST003521)

(Analysis AN005782)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53
FA oxo(9:0) oxo-nonanoic acidME9175260.450.710.421.200.660.490.820.430.740.800.460.731.110.840.710.790.500.840.930.490.400.780.570.450.610.720.810.530.450.790.690.890.470.460.460.430.620.410.851.200.610.490.460.541.160.470.760.4012.370.570.450.470.55
PyrophosphateME917523NA0.390.80NA0.620.750.390.890.63NA0.440.71NANA0.410.460.880.32NA1.09NA0.77NANANA0.41NA0.900.360.43NA2.050.89NA0.400.35NA0.360.21NA0.310.84NA1.96NA0.814.291.290.330.640.950.991.13
dAMPME9170760.080.080.100.680.110.060.120.070.060.090.070.090.120.060.070.080.080.070.070.070.070.090.120.110.070.060.100.060.120.040.070.120.080.110.110.080.070.090.070.090.060.090.080.100.430.060.090.100.070.090.090.100.10
UDPME9174840.263.181.401.460.910.771.141.081.291.220.730.99NANANANANANANA0.14NANANANANA0.29NA0.31NANANANANANA0.30NA1.410.551.461.092.211.461.541.53NA0.340.310.240.76NANANA0.63
Val-ArgME9171822.142.531.673.320.790.63NA1.401.240.53NA0.66NA0.46NANANANANANANA0.48NANANANANA0.530.641.52NA0.591.161.13NA0.47NA0.470.630.790.830.77NA1.090.710.790.56NANA0.49NANANA
FA (18:1)ME9174850.07NANANA0.210.330.270.180.340.210.270.210.530.400.330.323.013.281.961.715.155.504.143.020.260.260.310.210.650.630.990.561.530.891.491.550.050.130.070.060.04NA0.050.050.070.260.230.131.191.491.741.740.95
quinonoid dihydro-(6H)-biopterinME917336NANANANANA0.250.19NA0.16NANANA0.470.340.240.301.422.501.481.134.982.123.282.370.24NA0.300.250.560.660.700.280.610.340.831.29NANANANANANANANANANANANANA0.420.540.531.23
4,6,8-Trimethyl-2E,4E,6E,8E-undecatetraeneME9172001.141.261.201.610.300.73NA0.650.480.250.630.431.291.020.580.790.600.151.060.940.390.740.841.560.760.980.751.100.570.380.460.700.810.680.621.190.350.610.870.620.950.991.084.67NA0.290.60NA1.332.453.003.101.45
3-HydroxyhexobarbitalME9174223.673.503.473.380.680.980.460.890.991.140.860.870.420.360.350.430.480.460.300.540.510.600.530.600.730.500.360.500.440.460.810.680.750.860.630.671.001.071.181.181.271.541.773.160.510.640.910.551.152.072.092.081.22
N-Succinyl-L-glutamateME9174133.693.882.863.620.750.970.500.890.961.150.910.770.430.360.350.430.480.460.300.550.510.630.620.510.730.490.360.500.440.430.820.690.750.860.570.660.871.141.141.311.281.431.783.180.520.610.850.591.162.082.112.091.23
N-(1-Deoxy-1-fructosyl)threonineME917161NANANANA0.530.100.990.440.30NA0.160.302.941.341.821.660.290.664.211.170.290.770.330.400.121.363.051.180.581.993.833.730.620.410.400.33NANA0.150.84NANANA0.551.430.250.640.100.560.540.390.610.63
Glycerone phosphateME917529NA0.090.060.220.180.110.190.130.220.220.120.243.711.783.634.010.371.813.141.341.231.670.630.261.652.373.232.500.741.791.392.170.180.220.190.260.170.070.200.180.600.831.121.460.320.180.210.07NA0.870.900.910.86
Lys-ProME9170720.05NANANA0.05NA0.480.130.150.040.10NA1.673.022.012.272.353.922.481.911.661.270.390.430.710.362.481.322.111.783.111.990.370.120.380.56NANANANA0.070.240.450.580.030.370.10NA0.320.340.310.280.26
SubaphyllinME917488NANANANA0.07NA0.350.150.15NA0.11NA1.252.012.482.532.223.512.671.781.141.320.270.520.610.322.571.411.462.202.852.030.500.080.450.50NANANANA0.100.310.460.550.060.520.17NA0.280.270.250.330.19
1,6-anhydro-N-acetylmuramateME9170310.380.530.580.420.490.560.450.590.690.800.540.631.050.791.081.200.650.630.710.750.450.700.590.341.461.131.451.200.830.961.041.091.001.270.861.000.590.510.800.751.211.471.792.500.771.511.551.316.431.161.251.271.17
CasimiroedineME9170430.120.070.140.080.270.440.480.360.420.270.360.260.941.711.040.761.002.500.890.744.181.532.871.410.810.390.680.881.480.831.450.710.760.560.941.460.190.370.210.130.130.110.230.270.240.600.540.382.144.293.964.011.42
Lys-Pro-ProME9171490.61NA0.62NA0.400.770.560.611.020.350.560.330.481.170.44NA0.621.560.710.741.820.701.200.880.700.410.610.521.590.881.020.690.830.970.701.46NA0.43NANANA0.280.370.430.300.690.550.611.594.254.414.221.32
PS(34:0)ME917291NA0.070.12NA0.520.870.980.731.290.800.800.680.300.630.230.340.590.970.630.572.381.122.141.310.340.310.330.380.910.951.340.741.241.171.112.790.160.270.240.27NANANANA0.280.911.000.641.943.353.122.982.14
Ile-Pro-SerME9173100.050.030.040.020.140.290.150.150.210.150.410.131.190.621.180.902.021.741.631.701.812.712.461.970.900.490.970.791.451.121.721.571.640.541.131.360.030.080.100.040.100.200.340.180.090.310.400.142.944.814.814.811.24
PhenylpyruvateME9175250.040.020.04NA0.170.270.200.180.220.170.250.091.441.041.381.581.551.661.861.331.401.491.441.020.730.501.090.790.610.661.210.920.630.290.590.570.070.140.110.080.160.200.330.230.220.200.270.132.246.566.366.560.70
Ala-Ala-Asp-ProME917112NA0.30NA0.25NA0.41NANANA0.270.310.251.810.961.100.76NANA0.750.66NA1.330.440.610.470.420.620.57NANANA0.640.47NANANANANA0.40NANA0.280.350.50NANA0.63NA2.553.943.944.220.80
Apigenin 7-O-beta-D-glucosideME9171601.391.180.730.200.340.50NA0.330.800.571.550.770.08NANA0.100.660.240.150.330.681.421.331.700.360.230.090.220.670.460.330.303.641.871.162.320.201.270.410.060.360.920.720.400.150.541.060.372.434.614.284.550.98
Ile-Ile-SerME9171572.061.190.83NA0.240.48NA0.310.670.431.180.34NANANANA0.720.18NA0.260.770.630.821.160.310.14NA0.190.660.410.320.252.351.181.081.550.150.830.36NA0.290.950.500.33NA0.560.800.362.154.685.044.660.63
3-nitro-2-pentanolME917346NANA0.140.15NANA0.730.72NANA1.571.34NANA0.700.68NANA0.531.00NANA1.681.34NANA0.910.71NANA0.910.95NANA1.561.18NANA0.700.53NANA0.570.70NANA1.441.850.951.701.471.660.62
AMPME9170800.160.130.210.140.170.230.960.410.180.140.860.830.690.520.941.221.081.061.862.091.441.622.692.820.530.331.520.580.740.792.801.990.710.292.932.450.080.170.690.100.120.130.280.650.110.192.031.461.522.642.302.361.08
L-ValineME9170940.240.110.250.160.150.200.790.370.220.141.000.950.730.531.121.271.451.141.722.281.411.462.832.930.520.411.540.630.940.802.731.920.770.303.132.630.120.230.690.090.130.140.390.600.120.292.321.771.391.992.142.471.28
2-Ethylhexyl phthalateME9174190.770.460.510.410.150.171.030.850.330.281.921.900.420.470.720.820.540.571.131.230.851.213.092.610.650.581.161.220.800.561.451.611.450.662.752.570.180.470.600.540.220.400.841.160.250.332.202.821.071.040.991.001.01
HeptanoylcholineME9172550.170.090.200.090.170.260.841.150.270.172.751.870.420.250.901.080.600.671.181.960.590.883.542.900.370.201.090.930.470.461.952.010.670.362.692.770.080.180.730.430.100.140.860.750.050.242.582.371.551.641.721.621.01
7-Aminomethyl-7-carbaguanineME9173920.220.130.340.190.170.211.151.530.160.153.092.540.280.301.351.250.410.340.921.740.240.252.812.260.450.261.591.490.280.251.781.650.330.202.192.100.110.201.290.950.150.231.221.280.070.182.563.161.371.501.481.461.18
ThymineME9173830.170.120.290.170.150.201.061.410.150.142.902.340.270.301.331.420.430.350.851.800.240.232.772.390.480.261.661.510.270.231.831.530.330.192.092.100.100.181.190.870.140.211.121.180.070.162.362.911.591.971.941.901.14
UTPME9174761.01NA0.381.360.400.831.690.38NA0.450.25NA2.12NA0.73NA0.290.48NANA1.031.361.023.050.86NANA1.73NA1.130.681.861.040.442.801.620.290.680.430.891.861.091.06NA1.040.671.340.39NA1.241.301.230.73
Valyl-ValineME9173160.800.700.482.310.641.021.230.520.481.100.390.841.901.091.170.590.520.711.120.410.981.671.152.990.840.380.501.200.481.220.811.600.970.502.611.070.230.570.681.331.380.970.711.581.330.551.260.551.651.681.571.621.58
N-Formyl-L-glutamateME9172900.201.681.12NA1.320.890.970.291.590.501.64NANA1.010.641.660.241.450.94NA0.94NA0.271.31NANANA1.440.831.301.320.910.270.941.20NA0.220.201.270.660.561.360.780.69NA0.902.030.782.081.271.421.561.46
4-OxoprolineME917493NANANANA1.080.861.100.681.961.701.072.73NANA0.260.200.340.891.251.020.602.261.531.070.120.23NA0.240.431.461.312.041.411.350.981.340.080.080.19NANANANANA1.240.682.200.960.461.171.051.291.04
Ala-Leu-Trp-AspME917225NANANANANANANANA0.660.930.600.53NANANANA0.930.840.710.821.001.720.981.130.62NANANA1.051.361.471.511.521.391.451.65NANANANANANANANANA1.111.151.251.020.400.410.430.36
DaminozideME917432NANA0.21NA0.840.740.630.631.230.570.901.29NANANANA0.551.241.231.320.751.611.171.19NANANA0.400.801.571.722.231.612.291.781.33NA0.24NANANA0.22NANA1.091.511.840.910.590.710.670.530.61
Valyl-LeucineME9172560.31NA0.21NA0.500.450.380.481.041.260.830.730.48NA0.310.681.110.741.161.111.511.651.471.520.810.78NA0.651.341.501.541.521.952.261.772.100.380.340.19NA0.240.190.32NA0.621.731.631.691.341.031.071.051.02
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6- diaminopimelateME9174570.12NA0.10NA0.540.380.360.480.380.330.570.191.461.101.441.303.222.580.492.062.751.191.501.842.561.511.322.323.082.041.801.191.240.571.221.000.430.450.400.120.670.881.170.940.140.850.530.180.890.850.650.600.68
Asn-Leu-Pro-ProME9170560.491.020.690.570.600.620.350.610.570.530.511.041.341.281.361.350.590.811.600.991.443.872.522.970.800.540.890.800.711.101.312.350.550.781.111.070.340.640.650.380.450.500.561.760.510.731.890.530.831.231.420.820.98
1-carboxymethylpyridiniumME9173070.480.971.541.940.821.021.131.071.650.601.101.331.401.081.451.201.900.991.171.010.561.300.420.750.421.030.831.590.940.720.820.851.180.471.550.800.430.900.840.860.791.260.851.371.951.201.252.200.491.000.970.851.15
3-Phospho-D-glycerateME9174860.430.961.061.760.920.981.480.980.790.640.860.751.091.911.151.860.650.851.220.910.470.700.560.690.420.990.581.451.250.640.761.201.370.660.630.610.420.540.560.940.971.080.411.411.921.191.980.610.831.631.651.541.71
Lys-GlyME9172020.561.541.321.120.751.021.571.201.580.150.792.420.441.041.521.571.440.661.031.800.190.730.270.910.041.420.742.012.380.330.551.461.510.231.240.600.020.430.420.281.481.110.120.741.111.882.200.830.950.981.051.111.12
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acidME9173420.360.831.080.331.250.971.221.371.820.471.500.390.811.231.551.962.011.521.311.130.490.370.330.890.291.240.731.720.900.730.791.311.190.401.501.240.110.880.940.470.831.590.700.440.691.541.951.830.401.101.121.081.05
UMPME9174740.681.601.53NA1.531.561.801.651.200.151.090.880.701.231.471.700.941.091.401.900.500.880.330.640.211.510.912.351.730.750.481.581.140.410.920.85NA0.970.960.190.731.560.160.640.332.022.881.261.180.490.671.110.99
Ile-Leu-ProME9173730.651.070.721.380.970.671.080.650.841.120.641.111.481.111.061.180.621.070.810.660.711.180.720.590.760.870.860.840.590.941.071.280.580.600.620.680.800.651.151.270.910.640.610.681.210.591.140.672.480.640.820.700.77
2-Amino-2-deoxy-D-gluconateME9171340.250.860.922.030.810.781.200.810.54NA0.551.111.021.851.520.810.540.560.940.830.630.960.400.670.110.780.930.860.330.400.42NA1.230.540.550.330.090.340.491.390.920.880.190.701.190.640.700.600.770.580.610.610.86
ZAPAME9173900.550.540.622.830.450.510.600.530.590.610.510.560.530.530.410.620.530.660.560.510.430.490.590.590.530.570.540.660.500.500.450.590.610.480.550.540.760.540.480.520.500.490.710.561.890.510.540.690.600.480.680.500.46
Leu-Gly-ProME9173080.361.630.560.351.280.730.601.220.681.010.630.510.760.680.410.700.490.370.831.591.180.351.501.960.141.591.610.970.572.072.001.391.531.880.541.630.540.561.720.961.620.360.253.620.550.351.161.551.201.021.011.081.09
3-AcetamidobutanalME9172840.501.300.93NA1.090.860.681.451.170.741.090.540.870.800.761.121.200.731.181.440.850.311.031.430.201.611.141.380.911.581.611.301.481.311.111.600.470.901.451.451.400.890.461.950.651.011.571.800.661.081.221.261.23
N-UndecanoylglycineME9172730.431.410.930.351.260.840.681.341.160.931.040.410.530.720.701.041.260.720.821.391.220.221.221.600.151.771.281.340.901.801.661.371.521.500.951.680.500.981.600.991.680.860.472.100.490.951.622.020.621.091.171.281.33
Xanthosine 5^-phosphateME9174710.391.150.71NA0.940.871.061.100.911.120.850.491.490.810.900.920.810.971.631.201.340.311.071.340.181.631.141.100.731.551.641.391.431.190.631.590.450.920.991.861.250.700.441.770.630.611.371.100.481.400.911.121.28
Glycyl-leucineME9173520.391.290.760.341.120.820.861.241.111.030.910.520.981.280.881.091.071.001.711.281.010.281.031.320.111.591.421.020.671.451.591.381.181.210.861.180.460.811.191.430.940.700.441.270.450.811.391.520.601.051.130.920.90
(2S,4S)-MonatinME9173400.421.310.79NA1.160.790.981.371.061.101.110.341.201.090.831.101.200.951.691.351.240.321.151.400.151.601.551.200.731.831.691.281.431.450.951.590.440.861.431.761.290.760.411.440.770.861.581.630.461.021.111.030.66
Gln-Leu-Thr-ProME9172630.421.270.790.261.230.810.881.341.081.091.030.351.061.120.751.031.220.841.491.371.370.301.291.650.131.571.241.150.791.811.821.231.411.510.881.590.520.861.571.661.260.670.431.340.760.881.621.630.391.031.071.051.08
L-CarnitineME9173810.581.360.610.961.100.480.790.800.891.180.790.992.121.291.050.700.770.451.791.380.980.470.941.350.321.991.340.950.731.541.610.821.391.410.901.200.530.821.311.971.490.670.432.541.230.860.771.190.490.691.041.441.28
Choline phosphateME9172260.311.310.540.281.030.620.571.110.710.890.670.310.560.600.440.700.700.440.651.211.030.261.261.470.111.731.400.920.572.061.831.231.301.680.641.630.570.631.752.551.430.530.292.710.730.531.271.430.681.251.271.311.28
CumeneME9173740.301.520.440.401.270.620.841.270.671.330.640.441.631.310.410.700.610.491.911.381.460.421.601.710.141.761.760.870.512.112.131.291.421.860.521.700.590.631.672.381.510.310.261.961.220.341.221.220.611.081.161.171.18
N4-AcetylaminobutanalME9173120.271.470.440.481.190.620.851.210.641.140.570.421.591.140.360.670.560.572.091.531.320.411.371.580.111.761.860.940.462.041.891.221.451.640.501.540.480.641.592.051.480.310.222.211.140.321.081.260.540.900.930.940.98
Ile-Ala-ProME9174350.261.220.440.520.920.540.891.030.620.990.680.231.351.150.690.860.750.681.671.001.100.231.461.280.111.881.730.680.542.021.890.841.281.680.611.390.510.521.482.671.250.440.251.720.740.501.280.970.891.491.231.281.52
alpha-RibazoleME9173450.251.340.470.440.940.640.630.860.501.100.630.331.141.120.560.720.620.551.651.031.000.261.341.210.091.801.940.730.522.031.821.291.261.530.581.310.430.491.392.881.320.400.231.960.560.551.130.900.901.291.501.421.40
(S)-ATPAME9172600.251.270.460.321.040.540.630.940.611.180.660.291.151.130.480.540.580.531.621.131.160.211.311.340.091.741.740.780.462.121.981.181.331.640.511.510.510.541.472.861.380.380.221.750.820.451.251.060.861.301.201.231.28
2-C-Methyl-D-erythritol 4-phosphateME9175200.920.871.050.681.141.600.841.121.381.121.080.930.571.050.531.011.081.080.881.031.171.021.381.130.860.670.600.831.161.351.061.051.131.101.011.060.971.171.210.87NA0.510.801.400.780.971.090.94NANANANA0.77
4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoateME9171321.140.630.94NA1.211.081.081.131.091.350.930.500.431.011.171.271.551.131.000.931.790.920.641.161.221.480.601.621.111.191.221.280.441.040.440.491.721.460.680.461.211.380.980.861.061.121.030.780.43NANANA0.38
Gln-Phe-Pro-ProME9170370.470.560.570.440.580.640.440.640.730.830.580.611.271.070.891.140.660.610.920.740.440.800.790.581.581.131.481.181.021.081.111.141.001.570.960.960.670.580.840.741.361.722.052.650.841.881.681.363.071.791.851.971.65
Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acidME9173630.440.580.610.490.590.710.420.710.790.830.640.631.200.911.031.130.740.620.850.820.480.830.780.671.661.251.391.241.141.061.211.061.071.330.961.090.700.630.850.661.401.852.153.050.741.951.621.622.601.521.571.671.40
2 -(Butylamido)-4-hydroxybutanoic acidME9171910.560.790.890.690.820.850.760.800.810.850.670.881.620.781.251.270.480.860.970.93NA0.810.640.831.430.880.501.110.630.810.920.640.781.170.920.661.291.151.260.991.881.891.973.010.300.910.910.790.641.001.351.251.16
LysoPC(16:0)ME9171311.051.080.690.670.960.810.990.880.951.441.041.050.930.900.750.690.630.480.240.520.320.490.710.882.362.010.701.310.931.060.840.911.081.601.101.191.000.961.010.711.181.671.641.791.001.351.481.610.490.550.690.611.06
Ala-Pro-ProME9171731.141.561.131.240.901.801.351.261.141.490.941.640.360.560.550.470.590.74NA0.330.670.771.061.090.740.870.440.570.360.41NA0.371.031.190.961.641.071.751.231.490.730.640.541.051.280.781.561.880.901.051.081.111.48
IndolelactateME9175162.392.241.942.080.640.870.430.730.701.120.570.660.830.890.540.770.630.590.700.600.881.131.100.701.190.551.380.570.830.750.720.771.701.461.141.300.751.150.800.500.861.131.201.360.491.080.941.400.710.971.031.281.27
Ile-Val-Pro-SerME9171061.401.491.372.800.941.080.791.251.171.110.901.200.870.890.710.850.480.490.590.650.460.660.600.561.270.930.700.790.690.880.670.780.840.790.750.761.351.221.111.561.021.040.831.851.180.841.070.981.161.211.091.291.06
D-Glucono-1,5-lactoneME9171431.902.331.662.590.950.850.500.831.110.860.660.950.901.010.991.140.760.671.010.520.720.890.650.731.090.860.930.950.790.900.950.881.281.261.050.930.770.741.201.101.100.770.661.601.220.810.790.720.970.840.760.930.99
Glycerol 1-propanoateME9172072.001.831.751.801.000.950.811.051.391.310.900.920.890.820.660.820.871.050.740.420.750.980.860.781.020.720.390.830.820.810.880.891.091.181.050.990.930.920.890.830.831.160.871.510.891.281.121.190.910.910.870.901.02
Ala-Ala-Cys-CysME9172920.570.990.803.130.890.831.140.760.571.280.601.851.591.441.571.000.311.071.010.940.571.010.571.191.420.991.161.110.480.881.261.141.240.651.100.821.600.561.491.161.440.761.122.721.770.570.700.700.701.060.991.041.08
L-beta-aspartyl-L-leucineME9170480.980.971.113.640.870.750.570.691.341.380.711.140.930.810.870.620.550.981.250.680.631.190.700.581.100.951.020.810.711.480.861.211.131.190.830.800.800.550.991.430.930.700.622.441.740.730.920.530.890.900.890.921.01
L-Tyrosyl-L-arginineME9171831.131.791.222.300.350.810.590.331.371.420.771.081.161.070.961.110.651.001.260.660.710.420.260.271.180.920.880.780.801.390.851.191.331.240.930.790.790.681.061.131.090.710.632.661.420.761.020.621.460.981.110.910.99
GDPME9174561.590.640.750.910.770.630.510.690.890.691.221.700.96NA0.800.710.720.550.760.940.750.801.441.581.090.82NA0.840.810.680.59NA1.731.191.371.480.521.640.620.660.511.210.852.940.610.651.360.550.461.802.502.610.97
N-EthylmaleimideME9173051.471.090.901.300.610.510.490.650.790.640.860.932.131.341.341.560.810.561.790.890.701.130.911.271.271.101.991.710.730.670.891.011.150.790.721.220.481.091.121.120.581.041.092.090.430.370.820.361.392.222.052.151.34
Imidazol-4-ylacetateME9173661.870.971.431.240.400.800.290.890.700.381.080.541.440.920.761.250.740.400.870.780.470.450.721.461.290.961.451.681.070.490.620.731.471.010.691.510.411.330.910.850.601.011.072.210.390.340.600.490.861.992.442.401.32
L-IsoleucineME9172931.831.351.171.280.510.810.300.750.790.491.050.651.500.980.981.260.790.500.910.780.660.670.791.251.371.251.461.630.910.580.700.851.360.940.661.230.491.170.980.890.771.051.181.660.370.330.670.311.131.961.901.961.22
FA (18:3)ME9174942.741.111.550.950.350.850.080.820.390.241.090.501.020.460.430.721.400.341.041.080.840.560.992.031.030.710.621.481.180.420.460.721.570.610.641.270.291.430.660.310.511.621.502.590.270.340.340.162.062.332.342.631.36
Gamma-glutamyl-HistidineME9173312.501.081.520.760.460.940.150.910.710.341.080.560.700.420.490.890.950.360.450.770.660.330.741.851.350.970.861.601.190.440.580.531.450.930.681.470.451.640.810.450.691.251.372.900.230.310.550.511.412.392.282.571.53
alpha-D-Galactosyl-N-acetyllactosamineME9174582.211.161.371.000.320.840.160.600.520.250.840.521.710.520.721.281.350.811.230.971.170.911.011.931.250.851.151.380.940.490.820.881.170.440.661.000.481.150.830.440.761.381.781.86NA0.330.520.22NA1.941.772.091.03
Riboflavin cyclic-4^,5^-phosphateME9172351.581.051.150.940.530.850.200.720.740.461.030.620.760.530.621.031.410.720.711.051.050.861.092.001.021.091.031.381.010.640.870.811.400.870.881.250.491.100.810.410.821.321.511.64NA0.500.700.411.262.142.242.471.09
FMNME9172032.491.131.340.650.460.750.220.650.610.300.810.420.940.610.721.152.000.800.781.011.130.681.201.861.241.100.991.601.300.680.870.791.150.580.610.990.531.120.580.260.891.411.481.800.240.350.480.301.322.132.222.291.00
Methionyl-HydroxyprolineME9172182.270.941.200.570.460.800.390.570.660.420.940.630.900.530.790.941.430.880.741.091.420.801.261.831.411.261.001.761.010.711.020.771.090.580.720.930.691.520.770.360.791.441.731.830.340.360.390.401.281.701.771.801.12
BrunfelsamidineME9173512.451.341.270.520.401.190.400.581.310.491.120.750.930.580.480.570.940.510.540.450.670.821.221.411.260.600.501.620.750.541.500.542.101.341.371.370.982.000.970.390.831.241.021.980.491.131.050.781.131.041.211.091.25
L-Glutamate 5-semialdehydeME9174021.330.840.960.540.590.810.610.670.940.510.820.491.000.811.211.321.180.920.801.431.100.720.911.511.901.361.581.661.411.201.351.211.140.880.770.970.440.660.470.261.151.561.461.510.520.860.791.000.990.940.910.891.15
(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterinME9172592.351.261.380.690.671.070.270.960.790.561.000.680.810.750.881.411.100.780.901.010.920.760.941.131.411.101.081.841.130.800.900.921.080.930.931.270.671.380.750.411.111.411.431.870.360.760.760.330.861.240.961.071.16
N-Lactoyl ethanolamineME9173392.521.611.590.980.710.900.291.040.980.401.070.610.690.420.701.281.110.690.600.921.020.521.041.511.521.341.252.131.030.770.940.861.280.860.801.320.621.320.880.391.021.501.631.660.320.360.680.330.741.091.041.041.10
N2-Succinyl-L-arginineME9170952.451.401.440.820.640.900.330.810.810.410.990.550.910.550.711.171.170.710.790.881.000.631.031.521.281.201.231.661.110.650.880.851.270.790.721.110.541.330.770.470.921.211.241.700.360.380.600.321.681.681.701.701.07
1-Methyl-1,3-cyclohexadieneME9174042.311.211.330.650.610.960.230.820.730.391.100.550.940.560.661.091.310.740.741.061.060.741.351.941.361.061.081.611.280.680.900.871.460.940.741.430.451.350.700.310.821.331.461.690.340.450.640.321.091.441.431.481.20
PE(30:0)ME9171222.050.931.170.500.570.980.210.850.820.491.190.610.880.540.691.221.330.770.911.121.080.881.391.991.351.070.991.401.230.741.020.941.691.221.091.630.441.180.620.320.651.051.151.560.350.590.810.431.011.411.371.361.19
MaculosinME9174311.811.551.641.050.540.94NA0.441.150.561.110.810.980.670.821.491.040.840.980.980.600.680.891.091.281.091.141.450.950.451.100.981.250.931.001.100.791.060.860.320.901.361.191.730.620.931.090.900.841.091.070.910.96
[FA amino(14:0)] 2-amino-tetradecanoic acidME9172971.691.101.220.630.660.910.220.760.780.500.910.511.280.830.921.651.480.980.981.341.000.621.241.521.471.131.361.360.980.901.081.211.320.970.861.250.651.000.640.380.981.201.381.810.480.660.680.470.920.981.031.041.06
FagomineME9173851.881.111.180.600.681.050.270.980.850.480.890.600.870.760.811.321.170.940.961.101.090.981.451.471.361.470.991.351.020.791.201.051.491.161.041.370.391.270.680.291.160.871.021.530.460.800.820.520.821.111.171.311.00
L-N2-(2-Carboxyethyl)arginineME9172111.711.281.190.630.600.880.410.850.970.690.950.741.010.850.861.100.960.790.761.080.950.671.121.371.401.071.421.561.200.841.130.981.341.130.911.180.601.250.710.581.011.030.841.430.630.760.920.890.651.321.541.261.03
(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazoleME9172800.810.580.821.200.311.610.611.110.741.741.090.620.861.490.870.520.890.770.610.790.371.680.761.220.810.701.130.930.360.810.700.690.800.921.101.240.740.560.870.721.101.040.921.240.761.051.440.991.412.322.242.581.61
Ala-Asn-Pro-ProME9173601.351.181.300.680.931.120.771.370.810.911.060.840.530.650.700.761.260.690.441.170.950.800.911.100.840.870.610.851.191.060.730.611.261.011.371.351.021.180.920.621.111.361.201.010.581.531.001.311.250.981.001.391.12
N-acetyl-(L)-arginineME9172331.410.981.280.710.991.020.701.270.990.991.240.960.490.650.740.721.170.730.450.991.090.690.941.150.910.830.630.891.121.040.810.721.201.071.071.261.071.351.000.631.051.241.071.140.641.420.921.421.091.111.111.231.21
FA hydroxy(18:0)ME9175211.501.241.061.240.951.200.801.080.791.051.361.030.910.661.030.780.820.670.730.921.010.940.861.141.040.730.731.221.390.881.170.801.141.131.431.100.951.630.850.970.901.051.061.141.181.070.771.450.671.411.751.591.45
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylateME9172521.460.931.371.010.981.290.831.320.811.020.981.001.061.000.800.851.260.870.711.001.100.800.961.370.810.710.851.021.190.720.890.671.201.141.171.360.891.410.931.020.891.101.281.810.781.051.031.270.451.361.462.201.54
CDPME9174631.190.991.250.800.901.080.981.120.671.041.301.000.850.720.760.920.920.820.940.790.940.960.911.281.150.760.821.011.110.780.970.751.001.201.211.201.131.370.851.001.111.080.921.681.121.000.921.060.801.781.842.151.54
N-Acetyl-L-glutamateME9171940.571.131.351.241.011.100.921.160.821.160.881.431.221.181.121.250.671.071.000.960.700.770.840.841.321.271.231.160.690.821.371.031.080.990.650.761.260.791.260.871.111.131.082.181.030.840.851.060.930.880.940.980.99
alpha,beta-Dihydroxyethyl-TPPME9174381.091.101.101.061.021.220.701.450.831.011.071.081.161.151.241.170.740.910.900.810.740.840.790.771.381.111.101.070.930.890.901.010.960.850.920.880.900.950.840.881.511.631.761.840.841.371.041.340.891.371.261.181.15
Ile-Met-SerME9174281.171.171.061.141.000.990.741.180.891.081.141.151.241.091.240.980.790.850.750.810.790.900.840.821.470.980.911.011.000.950.961.081.030.900.980.940.961.010.790.911.271.541.552.220.841.331.001.210.971.261.291.371.11
N-α-acetyl lysine methyl esterME9172091.021.541.051.301.121.181.311.060.901.201.111.031.061.040.930.900.781.101.071.100.440.780.980.751.120.991.130.840.780.940.460.991.071.241.161.291.101.061.111.040.951.311.320.901.011.191.381.370.371.271.491.181.72
CytidineME9171030.971.131.231.470.980.951.271.030.971.191.151.330.991.040.871.050.940.760.910.861.020.900.930.971.041.150.891.200.880.920.951.011.121.271.191.051.181.141.191.311.201.301.181.131.181.051.281.320.361.061.261.411.26
N-AcetylornithineME9170650.951.201.281.531.150.991.181.301.051.191.121.310.991.060.941.020.920.940.840.910.920.981.021.001.051.091.071.090.870.940.861.010.891.111.141.211.151.151.261.371.121.201.150.971.101.031.271.380.471.081.201.241.21
FA (16:2)ME9173220.951.201.360.750.900.931.041.050.720.950.981.101.101.160.850.810.830.961.051.140.960.740.791.050.820.990.860.971.140.980.790.771.091.121.051.071.141.110.961.220.901.310.871.271.330.910.980.941.211.141.030.921.18
Glu-Pro-ProME9174151.081.101.120.990.961.020.861.000.910.850.830.970.930.921.101.080.801.121.030.911.060.981.021.051.020.971.271.110.980.991.111.130.941.001.021.051.160.770.960.810.841.000.860.970.960.930.991.011.121.051.031.070.91
Ile-ValME9172870.801.021.030.931.031.141.190.901.011.191.141.481.010.531.191.211.120.981.011.121.021.361.170.921.261.090.991.040.961.051.111.251.101.121.241.310.941.201.081.080.711.501.180.740.750.971.251.040.971.421.150.831.06
D-4-HydroxyphenylglycineME9170320.730.891.040.581.331.261.371.201.291.131.111.200.990.730.810.960.991.020.671.020.940.891.060.981.171.010.991.220.941.011.030.941.081.110.991.121.161.221.211.300.930.970.911.030.921.221.071.211.011.031.131.021.03
(-)-CamphorME9172480.720.951.030.621.301.431.351.311.291.281.301.230.840.780.951.050.921.070.660.991.000.811.090.961.221.211.021.200.940.981.020.890.971.101.051.111.141.241.301.241.030.971.010.990.611.231.081.331.041.091.031.041.04
(S)-1-Pyrroline-5-carboxylateME9173530.650.930.990.641.241.501.331.391.251.251.281.180.950.840.980.980.931.020.710.940.980.881.090.951.251.161.041.180.980.901.040.891.011.141.041.091.071.191.291.220.971.000.950.950.621.401.141.291.141.121.000.991.00
ProlylhydroxyprolineME9173680.670.950.881.070.780.960.850.900.790.970.920.980.960.810.930.850.720.800.950.920.701.090.921.010.960.821.050.870.770.850.830.920.860.900.891.010.880.831.040.940.800.920.971.460.770.851.070.841.372.432.352.251.12
Cys-Lys-Gly-HisME9174390.451.030.680.980.800.831.100.880.861.090.951.221.181.101.091.060.670.921.030.840.661.250.930.841.060.941.311.010.660.880.921.120.780.880.961.020.890.721.131.360.830.930.970.860.720.741.100.690.542.122.282.170.96
delta1-Piperideine-2-carboxylateME9174080.601.130.671.180.980.791.281.040.841.340.871.231.171.071.061.270.621.031.030.960.751.241.060.950.950.981.201.160.651.131.151.080.790.850.801.050.770.621.161.130.750.770.901.210.810.691.270.760.211.711.791.761.43
XanthineME9175071.110.961.041.230.610.910.741.240.920.771.080.851.131.000.821.111.020.681.300.890.731.071.041.190.800.651.221.261.340.810.830.911.191.040.861.730.751.171.151.060.721.230.851.961.100.810.970.790.781.211.251.151.11
GF 109203XME9171850.580.650.600.560.771.080.871.000.800.880.911.040.900.640.820.950.920.811.041.330.771.531.261.670.800.590.840.821.001.001.471.481.141.071.301.420.500.830.850.770.370.480.621.250.460.971.090.822.201.721.671.871.23
[ST Oxo(3:0)] 3-Oxochola-1,4,6-trien-24-oic AcidME9174251.111.010.730.500.891.401.161.511.240.900.830.791.090.820.880.910.920.911.141.291.021.311.280.890.790.950.900.860.820.901.021.331.391.070.901.140.641.000.780.780.610.560.360.890.830.961.240.821.201.621.171.591.40
IndolepyruvateME9175220.740.851.000.910.810.920.840.821.070.900.960.870.760.761.030.940.800.940.921.060.730.971.111.470.980.930.920.960.890.921.000.741.371.161.141.520.851.060.910.850.770.770.821.620.760.921.010.780.971.621.661.601.29
RosiglitazoneME9171990.850.881.040.940.940.920.851.140.960.881.221.050.940.950.961.050.860.830.911.040.681.100.941.110.990.900.961.130.880.870.891.110.941.050.921.080.940.791.120.950.821.020.881.060.720.871.250.970.721.561.821.501.13
CoAME9174490.890.860.650.820.841.180.561.020.900.821.120.891.040.881.031.031.371.111.181.141.321.291.491.620.970.891.070.981.281.201.271.091.431.081.031.210.860.940.821.020.971.030.891.180.570.961.240.841.161.471.461.471.26
Val-Pro-ArgME9170400.690.800.660.671.161.350.731.300.940.961.220.890.830.790.720.870.900.810.881.190.991.321.121.650.890.650.690.731.131.080.991.071.221.091.221.380.830.840.920.800.540.580.711.300.491.141.171.001.061.531.631.741.15
N-Acetyl-D-glucosaminateME9173861.191.160.881.210.671.030.491.061.231.031.151.211.000.610.430.710.660.601.180.780.681.301.381.300.870.930.791.000.830.730.911.171.701.731.241.630.610.940.900.910.640.780.823.001.120.821.510.730.371.371.321.471.19
N-Acetyl-D-glucosamineME9172051.341.271.081.650.721.090.411.211.301.061.271.180.910.750.350.710.720.671.200.600.731.091.301.330.850.960.691.030.950.740.600.991.921.871.431.670.591.290.911.030.690.920.843.161.370.901.370.750.451.361.211.331.16
6-deoxy-5-ketofructose-1-phosphateME9173840.831.010.751.480.660.910.710.821.401.381.051.361.541.200.571.010.410.611.070.580.651.811.421.070.750.930.950.920.650.740.941.161.521.561.241.550.540.790.981.110.530.730.692.092.090.761.520.540.371.251.401.311.05
L,L-Cyclo(leucylprolyl)ME9170330.921.010.721.530.660.880.570.891.361.261.041.351.030.880.530.910.660.762.270.650.581.711.331.180.741.030.680.900.720.810.951.281.471.501.191.530.430.630.661.120.590.800.722.231.270.701.540.580.411.201.271.361.01
Dicyclohexyl disulfideME9171861.031.330.821.180.661.000.540.851.441.051.061.071.120.910.440.720.720.711.360.640.721.311.311.210.880.970.771.000.770.770.911.121.661.741.281.620.610.960.880.880.690.840.802.141.090.711.430.540.271.141.111.171.07
trans-Hexadec-2-enoyl-CoAME9172131.071.110.871.220.570.950.500.981.331.091.141.121.150.830.470.820.650.651.670.700.661.381.381.460.760.960.760.900.870.730.941.151.831.551.401.650.570.920.940.840.590.820.811.561.550.701.320.500.241.301.011.120.95
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene)ME9174071.791.131.240.920.721.200.401.091.260.751.301.020.620.590.360.691.070.350.830.840.770.881.511.701.070.870.661.041.050.630.700.972.421.781.682.100.681.450.800.600.640.910.932.090.800.921.280.720.781.211.411.401.19
Cyclo(deltaAla-L-Val)ME9170201.871.191.300.960.410.710.410.681.320.781.361.080.650.610.380.721.120.610.870.880.810.871.581.791.130.910.691.091.100.810.991.021.531.381.161.440.721.520.840.630.680.950.982.190.840.961.350.750.821.271.481.471.25
Hexanoic acidME9175281.621.061.010.650.721.160.361.081.170.951.301.010.590.450.340.721.000.600.740.800.910.961.371.810.910.900.570.941.040.761.080.972.421.901.612.020.581.330.820.520.670.930.951.770.640.901.320.692.142.141.901.941.21
N-Acetyl-D-mannosaminolactoneME9175091.461.231.081.340.611.130.411.081.020.981.481.180.900.560.400.710.810.580.950.470.751.111.631.540.860.790.590.991.050.650.920.992.301.601.641.940.651.290.830.750.600.870.921.901.040.891.340.750.971.781.991.901.33
Trp-AlaME9175001.480.960.970.850.551.040.420.971.181.011.241.120.890.800.410.770.900.591.290.840.691.161.551.660.910.870.741.061.050.761.051.081.881.621.501.920.591.190.840.660.610.910.801.600.650.771.290.740.971.931.962.091.42
[FA (14:2)] 5,8-tetradecadienalME917239NANANANANANANANANANANANA2.140.801.471.85NA0.561.480.790.511.240.34NA0.690.961.631.320.300.710.481.03NANANANANANANANA0.210.410.630.72NANANANA1.081.681.401.930.65
2-Amino-5-phosphopentanoic acidME9170250.160.270.12NANANANANANANANANA1.451.641.812.211.401.290.981.320.680.880.720.441.511.221.631.450.931.631.131.120.810.310.210.470.13NANANA0.731.100.981.440.180.670.330.331.042.021.801.680.79
Ile-AlaME917483NANANANANA0.19NANANANANANA1.021.581.621.141.470.930.941.340.890.890.981.041.811.251.121.071.190.840.631.000.260.200.370.26NANA0.47NA0.440.310.58NANANANANA1.392.102.151.770.76
VinylacetylglycineME917249NANANANANA0.32NANANANA0.300.222.071.681.982.042.360.940.701.800.691.280.690.641.060.651.210.830.450.530.610.730.46NA0.500.43NA0.410.520.28NA0.270.340.31NANANANA1.482.722.472.731.16
Glu-Ser-ValME917138NANANANANA0.32NANA0.36NA0.47NA0.490.660.850.881.611.241.891.641.121.451.862.050.690.270.880.751.051.341.681.341.550.540.961.58NANANANANANANA0.27NA0.630.25NA0.74NANANA0.57
psicoselysineME917372NANANANANA0.42NANA0.35NA0.30NA0.750.760.821.001.541.141.721.901.322.071.891.590.860.240.780.710.830.991.861.261.730.690.801.44NA0.19NANANANANA0.24NA0.270.33NA1.860.830.930.830.77
PE(34:1)ME9170910.220.110.150.080.230.550.390.280.520.200.330.181.332.380.940.721.703.490.981.573.790.873.011.401.470.691.181.273.481.642.260.870.690.350.481.700.130.260.180.150.170.200.300.270.100.290.290.152.271.481.491.562.23
Leucyl-leucineME9174950.330.160.560.170.170.590.740.500.650.180.290.241.212.101.361.561.092.342.291.652.701.002.501.701.060.931.351.361.361.392.021.210.430.320.581.270.110.120.100.220.320.380.610.650.140.740.600.370.382.262.512.311.83
L-gamma-glutamyl-L-isoleucineME9174960.320.150.550.170.160.580.730.490.640.170.290.241.411.961.441.541.072.302.261.632.410.982.811.711.170.921.591.531.241.371.991.190.420.310.571.250.110.120.100.220.320.370.600.640.140.720.590.370.382.232.472.271.80
N-Acetyl-L-glutamate 5-semialdehydeME917053NANA0.26NANA0.200.590.17NANA0.15NA1.492.601.421.271.161.871.101.003.091.041.901.340.840.460.820.820.750.420.890.590.420.140.710.77NANANANANANA0.21NANA0.240.430.231.302.052.031.891.33
IMPME917477NANANANA0.190.650.750.270.390.220.32NA0.961.410.470.661.272.070.840.982.651.072.170.960.740.680.740.741.681.121.360.990.730.420.761.52NA0.22NANANANA0.270.27NA0.740.420.211.772.132.172.361.64
1,3,5-trimethoxybenzeneME9172240.16NA0.13NA0.190.620.430.320.580.160.370.151.081.640.780.831.593.041.011.383.141.142.211.260.940.740.860.982.721.591.740.951.100.510.781.510.130.310.18NA0.190.150.250.160.170.630.440.231.762.702.042.231.80
sn-glycero-3-PhosphoethanolamineME9174800.15NA0.07NA0.140.430.320.270.260.140.17NA1.191.600.830.652.143.051.381.623.551.211.561.111.220.841.070.681.441.191.821.040.770.610.771.130.090.16NANANA0.130.150.110.150.580.430.171.802.582.422.381.48
N2-Acetyl-L-aminoadipateME9172200.220.120.200.060.180.300.180.170.250.240.420.181.830.962.271.912.512.182.651.872.482.582.901.871.060.651.891.250.960.671.971.301.140.381.051.120.100.160.170.080.100.170.270.090.050.150.210.111.662.522.582.511.02
4-GuanidinobutanoateME9173030.120.120.120.060.500.790.570.440.540.390.500.232.111.422.082.212.752.702.832.302.152.541.731.211.260.811.821.181.051.001.631.271.190.640.930.730.270.350.330.270.270.260.440.310.200.390.310.211.542.492.552.511.16
HypoxanthineME9170660.130.130.130.070.500.760.540.380.570.410.540.252.241.522.212.352.932.883.042.451.752.701.561.221.200.801.731.111.121.061.731.351.180.680.980.740.250.460.360.270.280.330.500.330.240.410.340.221.381.992.242.151.05
10,11-dihydro-20-trihydroxy-leukotriene B4ME9175150.360.230.190.240.580.940.540.570.550.500.770.502.321.761.932.151.131.012.551.720.600.851.001.071.751.022.371.800.700.661.131.160.990.600.581.010.340.750.770.970.250.310.350.580.330.300.470.202.371.981.962.171.13
N-Acetyl-L-aspartateME9175270.200.100.16NA0.410.560.640.280.310.300.470.182.252.572.171.941.521.464.131.761.240.940.971.381.150.882.931.590.860.921.731.420.930.430.770.710.150.320.330.40NA0.310.620.830.220.370.330.311.961.221.111.310.97
SulfateME9175300.140.040.100.040.140.230.260.200.290.200.330.130.630.731.422.342.383.733.042.831.851.301.671.430.960.612.052.001.562.163.832.291.010.561.111.350.040.060.110.040.100.190.370.850.100.620.310.140.701.111.151.330.87
L-MethionineME9170690.120.100.150.050.530.490.660.480.490.250.570.241.050.891.832.162.292.612.292.141.621.761.181.271.450.862.781.891.762.062.882.311.350.661.221.100.240.210.240.110.280.461.070.550.160.840.360.190.580.860.800.840.65
N5-acetyl-N5-hydroxy-L-ornithineME9173000.220.210.200.130.700.510.640.480.560.380.760.491.160.741.832.412.222.692.272.071.761.801.241.341.371.022.601.681.802.082.902.321.430.801.301.260.300.330.390.230.300.491.110.620.370.800.510.310.741.041.020.930.69
Val-ProME9173580.170.100.210.100.670.580.740.550.610.410.620.391.140.812.062.392.322.772.302.171.591.581.121.581.410.952.751.841.692.142.802.291.550.711.481.360.280.360.360.190.320.601.140.590.280.870.470.340.690.700.850.940.75
Cohibin CME9174300.25NANANA0.640.530.340.450.750.270.700.340.930.861.052.032.132.001.471.770.991.011.010.961.390.761.861.471.171.552.391.591.200.760.881.02NA0.250.38NA0.290.430.800.90NA0.410.30NA0.831.481.211.460.69
N6-(L-1,3-Dicarboxypropyl)-L-lysineME9170230.100.070.080.050.740.750.800.670.440.330.640.301.271.211.401.932.562.712.002.111.601.181.481.251.371.081.661.651.871.902.191.901.170.621.200.920.270.380.340.220.190.220.290.120.300.430.550.431.051.321.241.371.09
9-mercaptodethiobiotinME9171080.090.040.060.030.700.750.800.640.460.310.640.291.321.271.672.072.712.742.022.051.611.141.441.081.411.081.731.571.781.812.361.881.160.561.190.950.240.340.360.240.170.190.250.090.270.360.500.411.121.311.311.321.09
Glu-Pro-SerME9171050.100.040.060.040.770.750.810.620.460.290.640.281.301.281.502.112.792.812.022.121.711.121.401.081.431.091.571.611.721.912.271.881.190.561.140.930.250.360.360.240.170.200.260.090.280.370.510.421.081.261.301.341.10
4-amino-MXME9172770.080.080.070.030.690.830.510.501.070.780.900.551.210.610.700.991.811.681.061.252.903.412.662.400.660.510.810.550.931.091.330.982.121.351.951.560.250.370.250.160.230.210.210.170.451.060.790.601.281.921.771.611.03
N-Formimino-L-glutamateME9170350.080.090.080.040.660.960.620.451.110.780.870.601.220.750.731.091.641.781.301.332.593.682.682.220.600.520.900.590.881.061.421.072.061.321.741.580.210.350.280.190.210.210.230.190.461.030.870.681.251.501.591.611.07
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraeneME9172300.13NA0.27NA0.380.490.450.570.460.261.110.730.850.681.091.081.341.271.271.752.281.873.242.810.790.331.050.811.010.821.541.151.360.692.011.630.080.210.400.230.150.330.550.630.200.460.811.151.332.151.851.930.95
L-SerineME917257NANA0.20NA0.140.480.500.540.490.120.970.560.740.751.190.861.360.941.391.392.432.053.122.640.730.360.970.701.030.851.681.251.150.751.861.53NA0.230.430.250.170.360.490.570.180.500.841.001.461.941.952.080.85
D-ApiitolME9172440.340.180.200.090.310.510.340.360.520.360.640.301.020.690.830.921.961.581.831.772.882.953.342.860.640.480.880.700.960.851.400.961.650.751.811.560.220.320.260.190.240.300.450.370.290.450.480.331.592.642.572.831.00
Leu-Pro-ProME9170780.070.040.060.020.310.470.250.260.520.290.520.241.210.780.801.002.062.191.521.633.312.632.682.160.760.440.790.641.471.241.601.191.730.821.471.420.110.200.120.060.160.260.350.250.220.600.370.261.192.983.323.050.94
ε-aminocaproamideME9173910.360.200.190.100.360.630.340.390.480.280.450.261.120.900.870.842.332.631.481.692.942.202.642.051.040.600.990.821.491.031.641.241.630.751.191.290.180.440.260.130.280.360.360.390.250.580.520.381.252.392.232.630.96
Acrylamide-acrylic acid resinME9172280.170.050.12NA0.140.640.400.250.350.110.200.101.261.391.291.002.322.411.972.092.721.212.541.751.590.851.410.782.602.082.961.600.860.450.571.57NA0.130.08NA0.220.160.340.260.130.350.300.141.391.001.021.191.50
UrocanateME9170670.200.100.210.080.290.550.450.320.420.250.370.211.861.571.761.282.992.812.152.392.831.362.341.601.821.001.661.342.071.401.941.110.770.490.590.990.280.320.310.230.350.400.660.470.220.470.500.291.730.630.680.651.25
UDP-2,3-diacetamido-2,3-dideoxy-α-D-glucuronateME9171690.32NANANA0.520.720.710.520.860.310.550.240.981.190.780.891.912.161.131.122.541.212.491.561.190.791.311.241.811.541.851.040.910.580.811.800.170.520.19NA0.190.290.440.33NA0.610.580.271.291.331.501.321.39
Asp-ArgME9174100.270.090.310.050.440.890.430.610.430.220.820.200.650.821.040.952.992.881.852.412.301.511.861.651.090.761.021.192.071.541.831.621.540.881.211.270.250.530.260.160.330.610.640.430.201.250.320.611.061.161.161.251.06
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanineME9174610.22NA0.32NA0.500.920.380.680.390.130.850.160.720.750.851.002.912.481.442.352.661.221.691.741.080.660.741.012.091.181.301.271.520.841.531.250.130.660.32NA0.310.590.690.390.191.420.200.661.121.171.141.220.96
L-CitrullineME9172040.530.300.380.140.470.850.540.570.620.510.810.571.290.950.930.871.661.581.312.132.141.852.042.381.390.950.891.251.731.151.411.271.290.801.101.390.370.680.550.150.360.490.860.970.340.660.610.571.441.431.191.201.09
Chrysophanol 8-O-beta-D-glucosideME9171660.230.130.21NA0.500.840.460.650.720.410.820.460.850.830.861.032.132.051.212.072.351.322.261.921.100.681.051.002.191.772.201.691.570.761.201.600.240.490.300.130.270.390.620.460.320.810.640.591.191.121.091.141.09
L-ArginineME9170770.410.220.250.090.490.770.350.490.670.420.690.401.140.850.991.122.282.061.321.882.461.732.302.211.330.781.121.141.731.261.691.321.750.891.401.460.240.510.260.120.380.500.640.500.270.740.550.471.141.361.401.421.06
S-Adenosyl-L-methionineME9170630.360.180.240.090.290.600.270.360.490.280.510.251.150.941.051.182.662.261.572.292.351.562.372.241.480.751.221.211.891.361.981.421.630.741.211.470.160.370.220.140.280.400.570.470.170.510.430.301.361.451.461.641.19
Ile-Pro-ValME9172580.110.110.210.140.520.800.610.770.680.580.750.601.040.891.111.281.822.102.062.252.112.822.412.050.910.720.880.761.001.311.421.331.070.801.261.160.370.490.540.410.270.320.450.460.370.720.690.581.361.821.641.611.35
Glu-Ile-ProME9174000.27NA0.20NA0.310.320.240.180.650.320.710.281.390.550.780.692.212.752.792.402.852.942.511.801.140.460.800.471.381.172.431.951.881.121.771.430.260.220.22NA0.270.330.270.220.541.140.860.441.121.221.431.370.85
BalofloxacinME9174440.260.130.300.110.370.380.550.620.470.430.780.450.720.690.960.892.032.112.762.282.202.002.752.210.620.490.900.791.331.272.592.391.360.901.541.570.120.170.370.180.130.260.400.480.370.651.020.801.071.151.321.121.19
carbidopaME9171930.130.070.11NA0.480.710.590.460.730.510.840.470.780.660.961.021.902.262.111.752.662.422.832.600.780.570.940.761.531.361.971.711.721.041.651.650.210.280.270.180.210.260.300.280.390.720.560.450.930.991.080.981.19
N2-(D-1-Carboxyethyl)-L-arginineME9171980.130.070.11NA0.510.740.540.530.730.570.860.470.770.750.951.012.132.242.221.802.832.392.702.160.780.570.940.751.521.451.961.701.711.031.641.640.210.280.270.180.200.260.300.280.360.700.610.450.920.981.071.080.93
Histidinyl-ThreonineME9173700.250.200.150.120.460.680.440.430.620.440.580.421.041.210.870.771.591.382.611.581.271.961.561.571.000.550.970.811.951.803.122.341.670.863.051.280.200.390.300.190.200.260.330.420.300.520.630.361.552.172.352.271.00
[PR] bacteriohopane-32,33,34,35-tetrolME9172100.570.310.39NANA1.06NA0.520.630.360.490.320.870.531.120.720.820.840.961.490.821.321.221.491.130.551.421.272.061.632.892.072.131.652.421.98NA0.350.30NANA0.250.400.470.440.500.860.471.051.101.151.221.20
4-(Trimethylammonio)but-2-enoateME9171870.19NANANA0.630.460.260.550.760.290.710.430.570.720.620.971.371.721.551.571.401.881.371.590.790.481.250.891.341.982.992.122.011.171.831.42NA0.370.15NANA0.320.470.47NA0.680.530.190.681.181.131.350.59
Ala-Gly-Pro-ProME9171070.070.040.050.030.300.440.390.280.530.470.510.271.361.031.111.451.582.191.791.491.711.951.581.540.820.601.260.901.451.492.471.832.241.502.361.960.180.280.310.180.350.350.530.340.731.241.190.831.031.091.111.111.10
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl- D-alanineME9171100.070.040.040.030.280.440.400.300.490.480.540.271.320.951.121.511.502.091.651.511.721.911.501.520.810.591.230.971.471.572.581.892.151.392.392.100.180.270.290.180.320.360.520.370.671.211.200.871.281.091.091.101.15
DaidzinME9170390.330.340.270.260.360.750.320.450.370.270.530.330.960.941.361.251.701.081.421.431.191.321.341.601.601.241.391.710.720.751.131.080.730.690.911.120.240.260.530.511.621.532.001.590.420.950.670.721.482.222.332.371.21
LysoPC(18:0)ME9171590.330.33NA0.290.360.720.310.510.360.300.370.261.570.891.531.291.621.211.731.511.201.471.471.601.911.291.691.400.500.781.240.980.820.420.810.94NA0.290.520.571.711.561.551.450.391.070.690.810.152.111.891.841.25
Met-ValME9174260.460.560.430.350.560.691.030.720.460.670.730.651.221.074.192.431.451.382.151.681.010.951.081.191.291.022.011.840.931.261.751.370.910.731.140.990.730.540.690.520.620.621.362.060.550.840.640.760.660.900.850.871.04
GlycerophosphoglycerolME9174030.170.090.14NA0.480.650.560.390.580.410.490.301.661.792.082.152.332.202.471.931.181.981.180.891.170.921.831.180.960.891.111.101.010.620.780.580.350.490.440.330.460.681.011.170.540.610.540.381.551.681.801.740.91
Ile-Ile-Pro-ValME9174210.170.10NANA0.570.630.490.460.540.450.450.351.951.861.941.652.301.832.251.751.141.671.140.931.250.941.891.120.810.961.040.940.940.590.780.680.340.530.350.230.540.690.971.020.550.640.560.451.591.891.591.520.98
DethiobiotinME9170830.390.370.420.270.530.660.570.440.560.550.420.391.951.741.812.031.311.581.341.320.881.511.060.901.471.091.441.131.261.231.241.440.970.640.860.970.530.520.610.390.961.061.191.490.560.940.820.641.101.681.491.440.83
3-MethylguanineME9173440.350.380.350.300.690.950.750.780.540.570.600.501.731.712.521.981.271.572.301.831.222.061.331.501.111.281.641.771.241.341.391.590.710.670.900.780.670.360.680.650.800.841.411.370.780.680.800.401.001.071.101.031.09
AdenosineME9173670.160.140.240.170.520.860.750.720.470.460.490.331.641.692.771.891.161.572.341.901.062.031.081.381.111.181.781.501.091.251.461.620.620.520.800.660.620.370.630.580.790.781.181.490.670.540.650.270.981.061.090.940.98
N-(6-Aminohexanoyl)-6-aminohexanoateME9175030.14NA0.56NA0.230.480.520.490.260.440.680.211.381.191.672.211.271.552.151.380.981.350.811.601.361.021.871.141.641.331.421.931.061.321.421.040.190.090.46NA0.270.751.010.86NA1.200.720.940.200.821.171.420.77
[PC(6:2)] 1-hexyl-sn-glycero-3-phosphocholineME9174370.280.290.230.280.650.930.570.770.600.490.840.651.521.281.561.761.501.522.312.011.551.451.681.821.051.141.531.801.101.671.961.850.961.021.321.590.270.280.510.400.620.690.941.480.510.840.620.690.521.171.181.681.70
PicolinamideME9170340.140.250.250.200.600.620.530.570.550.480.700.741.271.021.662.071.431.812.032.261.821.512.161.851.341.241.631.801.021.682.192.070.760.711.361.440.320.320.450.320.390.610.841.320.250.850.720.630.921.261.391.451.77
FibrinME9172790.110.130.180.110.430.590.590.640.370.330.630.471.191.222.072.711.191.782.632.321.091.331.711.460.981.222.082.130.981.462.011.950.590.511.020.900.230.270.500.320.400.530.701.270.170.540.720.460.630.901.221.371.66
tropineME9173550.150.140.240.230.420.570.730.700.280.350.630.461.461.492.062.571.281.572.771.811.101.531.651.530.841.132.071.960.951.321.711.940.620.520.970.900.240.370.480.420.350.610.871.340.320.720.650.570.391.041.131.451.37
3-Methylbutanoic acidME9173980.200.170.220.270.390.620.630.680.440.390.630.481.101.332.012.381.421.462.832.251.121.431.121.661.011.062.271.711.011.502.122.120.930.831.271.120.300.330.560.410.390.580.891.350.390.700.770.500.680.750.910.991.25
meso-2,6-DiaminoheptanedioateME9174050.080.050.180.180.390.430.580.600.460.300.750.361.141.211.933.071.461.693.082.521.171.211.151.670.921.262.062.270.961.461.932.290.740.711.111.040.230.300.360.330.400.530.861.460.280.630.630.560.220.740.770.951.30
Gln-ProME9174241.060.570.960.870.390.910.200.650.740.571.190.751.621.490.890.951.180.961.701.500.951.151.662.230.810.560.750.631.050.721.401.281.621.071.781.500.230.880.680.470.360.671.231.78NA0.730.660.591.390.920.890.961.25
MetharbitalME9172750.210.650.200.490.690.750.660.870.910.660.410.910.951.021.241.361.251.251.862.041.051.701.681.771.460.791.321.821.151.451.991.841.090.881.341.390.820.330.290.350.370.320.712.980.850.820.800.580.182.061.581.620.74
PhosphoenolpyruvateME9172540.360.750.500.420.440.810.530.940.820.670.810.760.980.851.000.990.651.111.411.471.062.831.852.180.590.760.971.021.021.311.801.731.051.141.761.560.380.470.850.480.330.370.411.290.370.541.380.391.391.711.771.771.16
Myxochlin BME9174450.731.010.720.930.720.890.711.030.850.900.841.040.981.121.181.250.491.011.391.501.152.631.551.620.811.011.361.020.941.191.251.921.131.271.591.170.480.570.810.610.610.560.801.160.510.651.470.500.911.571.681.371.24
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol)ME9174750.440.820.591.160.510.920.600.830.850.670.850.761.411.181.161.250.631.172.011.450.952.451.741.780.590.901.300.950.971.081.452.050.901.151.411.260.550.580.850.870.490.580.802.250.650.481.210.501.241.491.601.441.23
9-methylthiononylhydroximateME9174480.490.750.660.730.670.901.060.930.770.650.570.571.621.721.581.210.931.251.411.350.971.811.141.231.111.021.341.270.881.291.241.360.690.740.850.770.580.610.850.700.830.720.731.860.950.741.260.431.000.971.071.230.95
N-ethylsuccinimideME9174400.520.720.680.620.560.801.090.940.670.610.580.491.671.761.701.240.951.271.591.490.991.861.251.261.001.311.081.130.911.221.191.290.710.760.870.790.630.500.860.520.700.660.751.580.970.761.300.531.051.191.101.261.08
Ala-Glu-Asp-IleME9172230.410.480.330.710.801.101.060.930.711.270.740.841.701.470.930.990.690.751.900.940.661.570.990.921.030.751.200.760.791.051.241.460.841.050.940.950.660.631.031.110.650.630.701.711.200.861.490.801.701.361.571.531.38
Tributyl phosphateME9171810.420.600.411.080.690.850.890.780.701.090.720.741.731.791.560.880.780.841.820.980.621.630.920.981.150.801.430.810.890.841.021.830.981.051.000.940.720.640.791.130.560.610.671.560.630.851.060.920.781.651.531.680.98
decanamideME9172660.510.500.550.780.690.910.690.930.900.880.950.741.391.391.121.101.031.071.701.131.031.171.311.391.250.951.281.091.210.981.391.311.061.051.301.250.650.630.780.810.640.870.942.321.181.021.001.160.561.251.551.251.33
CaproylcholineME9171750.120.260.130.300.741.211.030.930.941.160.560.571.451.761.281.170.791.332.021.061.001.411.011.101.711.061.451.250.911.151.281.591.141.181.251.020.450.450.570.610.460.350.691.781.101.080.990.691.081.071.121.121.09
L-isoleucyl-L-prolineME9173470.320.440.340.400.571.000.770.840.771.240.730.701.541.571.261.340.761.142.111.230.761.621.161.051.540.831.370.870.791.341.451.641.271.231.431.100.830.590.780.830.490.490.681.751.120.931.131.081.171.341.421.451.25
BendiocarbME9175050.450.280.30NA0.480.780.790.520.680.800.620.951.290.811.311.490.921.312.881.351.023.081.421.330.790.601.631.050.790.820.941.821.260.861.101.230.160.480.570.27NA0.380.470.870.350.590.950.400.662.071.782.101.18
Glu-ArgME9170700.440.340.350.220.390.680.310.550.590.550.820.681.190.981.591.661.340.871.251.221.572.532.002.321.140.781.801.350.920.721.041.041.840.651.291.170.360.680.730.470.270.400.530.850.220.380.440.251.762.102.032.101.30
Thr-Pro-ProME9173320.230.230.390.450.450.820.460.510.530.480.620.371.491.272.182.361.951.392.331.961.371.401.621.621.070.942.131.871.201.031.831.280.960.740.981.200.300.640.510.450.260.521.050.940.300.520.440.420.982.012.282.321.77
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphateME9171710.340.180.19NA0.700.810.540.480.540.490.640.321.020.941.291.701.881.511.322.151.280.931.291.351.701.001.631.521.371.332.101.390.900.340.560.870.230.550.410.140.310.410.650.50NA0.390.580.491.432.362.272.631.02
(3R,7R)-1,3,7-OctanetriolME9172530.710.440.600.280.590.620.540.560.450.320.620.451.181.021.632.021.751.531.972.460.950.731.331.311.301.032.472.310.960.982.051.260.660.370.470.630.330.530.410.350.400.490.650.80NA0.210.370.130.912.222.212.281.14
N2-FructopyranosylarginineME9171520.810.510.530.190.620.950.600.610.330.590.630.421.270.781.421.721.381.431.361.920.980.791.441.181.681.212.141.721.171.011.891.740.880.530.750.900.490.620.510.360.210.420.670.69NA0.240.500.270.892.432.442.171.04
Phe-Gly-Pro-ProME9174590.750.430.530.290.700.630.620.620.620.480.680.451.331.101.381.801.281.331.441.790.860.741.391.301.761.292.252.071.061.031.841.520.880.640.521.020.260.520.470.290.380.680.780.860.180.350.610.451.032.242.132.201.16
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamideME9172461.150.870.720.420.470.79NA0.510.730.490.890.530.740.480.570.701.160.570.650.830.790.610.981.181.670.921.761.781.551.041.611.532.001.031.261.600.260.730.550.390.590.950.951.130.240.631.080.251.592.302.422.191.13
HexadecasphinganineME9171960.790.300.470.410.410.780.500.680.590.370.850.491.311.170.631.121.630.851.911.731.080.641.361.901.290.981.341.681.811.051.721.381.540.771.111.680.300.640.460.430.360.640.891.450.490.540.590.891.211.361.461.621.37
Lys-ThrME9172500.78NA0.27NA0.250.740.220.670.180.210.670.301.491.210.691.411.870.871.651.630.880.761.351.931.360.841.251.961.700.950.981.111.110.630.740.940.221.020.490.450.320.600.991.60NA0.620.620.640.821.892.112.401.62
1-HydroxypyreneME9174341.450.480.870.270.691.050.530.920.930.631.150.690.880.640.661.141.240.650.851.370.880.541.201.691.711.081.141.721.420.750.991.391.631.070.911.510.421.270.560.290.420.851.001.430.440.510.540.601.631.561.621.771.42
L-Tyrosine methyl esterME9171631.260.980.750.310.811.190.250.540.430.291.340.691.080.971.131.741.280.941.021.630.610.471.051.251.641.242.021.991.390.641.371.301.220.860.411.140.361.130.750.230.771.191.211.50NA0.280.430.350.921.441.561.301.34
Gly-ArgME9173431.300.440.790.330.570.990.370.930.700.431.100.531.200.920.951.431.270.801.251.510.850.541.061.651.701.111.662.081.460.851.311.191.331.040.881.460.431.210.630.430.410.881.041.220.320.420.590.500.671.521.631.761.36
Ile-Pro-ThrME9174201.580.840.820.460.740.910.400.881.070.590.990.621.150.761.181.551.080.840.821.230.850.691.291.231.881.331.761.791.090.871.261.021.481.060.881.260.581.040.790.500.660.790.991.010.470.430.720.420.581.481.511.741.04
L-ProlineME9170850.860.590.610.340.650.690.640.710.800.540.900.771.050.881.201.741.011.021.131.600.750.891.291.331.951.302.471.891.091.021.411.511.251.060.981.380.460.670.650.420.530.710.980.930.280.590.890.621.051.211.401.261.03
Acetyl-CoAME9174161.320.610.750.400.600.920.460.780.810.560.940.601.411.051.171.311.180.771.441.200.790.791.091.301.761.261.711.771.180.901.071.221.431.000.901.310.551.080.680.530.570.890.970.920.390.500.690.431.431.391.421.561.24
Ala-Pro-SerME9172961.090.570.670.090.620.860.500.830.730.520.900.601.481.331.281.651.150.941.561.440.740.781.101.281.831.192.061.711.311.041.301.441.300.900.851.340.441.020.670.520.470.750.940.780.280.410.630.391.511.301.281.511.13
CholineME9173590.790.440.620.340.680.860.520.570.600.500.670.621.030.931.261.541.061.120.761.620.670.671.101.251.611.071.771.701.391.191.461.461.120.891.031.050.410.730.540.330.460.831.050.810.370.470.680.602.242.092.112.161.15
dADPME9174870.340.300.490.210.601.020.530.770.680.620.850.561.000.891.101.461.121.000.721.510.780.761.281.501.351.361.551.621.341.281.571.531.190.521.021.290.340.760.460.230.390.621.041.010.230.580.660.652.342.202.012.361.42
D-Alanyl-D-alanineME9171110.840.520.650.290.680.760.470.840.790.550.930.621.020.811.081.341.090.821.171.600.780.821.291.451.741.291.701.911.170.961.431.391.301.030.961.250.370.750.500.300.390.770.851.210.320.630.870.721.961.621.401.681.31
Ile-Ile-ProME9173560.930.460.630.270.660.910.490.720.690.480.930.601.080.931.151.331.260.941.081.560.700.681.031.351.621.241.852.101.241.001.501.371.240.840.841.200.420.930.670.410.460.740.981.050.260.440.620.442.751.561.561.691.16
HydroxypropionylcarnitineME9173891.290.690.980.820.550.750.690.660.530.410.760.561.551.000.961.371.211.031.951.330.890.641.150.901.471.031.771.661.080.591.031.070.900.650.631.050.350.690.740.590.370.760.861.550.210.470.630.452.372.152.142.160.88
InosineME9175040.660.460.560.510.510.530.400.410.670.470.840.550.830.651.021.251.250.901.331.580.690.621.341.351.581.211.641.661.070.731.071.161.140.900.701.060.450.750.56NA0.530.800.811.69NA0.650.580.781.712.252.592.321.24
Valyl-PhenylalanineME9174731.290.700.690.280.400.610.150.550.530.300.780.330.970.620.750.892.271.491.041.732.131.291.892.431.340.820.731.501.540.801.170.831.570.781.061.500.320.730.360.150.710.941.031.160.330.510.510.461.411.761.691.711.47
Asp-Cys-Cys-SerME9174540.430.480.540.480.380.740.630.780.790.650.430.661.111.011.441.141.601.261.731.421.141.681.181.151.110.991.501.301.041.221.581.311.060.710.780.990.520.470.600.520.961.031.231.220.640.720.800.552.302.201.902.181.31
Glu-Pro-ThrME9174140.670.610.620.390.740.960.640.690.720.790.740.581.391.131.151.501.591.671.841.411.191.931.411.561.110.691.251.061.441.300.951.851.360.791.091.220.460.650.450.630.660.730.991.230.470.960.740.551.901.771.822.000.99
Lauroyl diethanolamideME9172671.370.680.850.540.591.010.750.820.670.490.700.761.000.861.020.991.271.160.981.081.591.221.581.501.191.010.850.851.250.961.101.361.080.780.751.070.490.970.520.270.540.671.191.180.560.700.560.641.202.332.291.991.20
5-Methyltetrahydropteroyltri-L-glutamateME9170680.390.300.430.370.540.920.620.940.711.030.740.671.020.921.091.171.210.991.621.401.021.641.221.441.270.871.110.911.091.111.611.161.281.211.531.070.550.640.810.650.560.530.580.780.560.941.121.031.102.252.052.041.13
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerolME9174230.540.570.600.180.950.800.570.840.710.650.840.741.161.121.121.311.291.190.891.241.111.141.431.061.320.980.961.061.091.011.111.081.200.891.070.840.710.780.790.520.850.960.960.750.300.930.800.971.381.992.272.381.00
Ala-Ala-Asn-ProME9173690.460.550.400.360.780.940.530.730.670.570.720.541.120.921.281.541.291.251.371.691.080.981.211.351.350.941.111.261.110.911.481.421.150.820.861.060.440.710.530.370.480.660.840.910.410.760.700.551.072.632.412.551.16
NADP+ME917350NA0.19NA0.230.490.600.500.590.330.460.760.680.860.901.331.471.321.301.401.361.611.741.371.442.370.791.351.121.121.011.301.221.520.751.101.560.190.270.570.310.360.490.690.550.270.830.820.881.542.202.562.250.96
ProtoporphyrinME9171440.270.390.21NA0.420.660.480.540.580.530.640.641.060.701.161.441.331.241.311.681.021.401.531.771.000.841.751.181.121.121.631.531.210.770.921.310.160.470.400.250.340.590.641.60NA0.570.750.411.132.222.182.631.27
ShikimateME9172150.490.410.540.550.550.690.630.720.660.550.720.491.620.951.140.961.240.941.801.821.151.531.581.801.140.791.381.391.611.441.951.831.250.761.311.280.420.610.540.620.580.630.641.470.450.660.710.541.462.042.012.191.39
4-Imidazolone-5-propanoateME9173200.900.510.520.270.550.840.350.590.780.510.860.501.130.971.051.311.791.571.461.601.321.241.641.641.160.861.121.121.160.981.381.271.531.011.211.510.370.690.440.240.460.650.680.790.340.520.630.351.441.982.042.111.06
Glu-ProME9170820.850.580.530.270.540.840.370.640.770.470.860.551.190.911.071.261.861.491.281.631.261.211.441.641.260.951.161.161.190.981.191.221.371.041.111.230.400.840.560.270.490.720.810.940.390.640.740.461.401.961.892.021.12
Pyridoxamine phosphateME9170581.230.660.840.330.470.770.260.610.710.470.870.511.200.821.121.551.601.201.411.541.100.971.551.781.380.951.231.331.180.921.331.301.581.341.241.440.430.920.460.230.590.970.971.170.370.630.770.491.141.301.401.361.03
SecobarbitalME9173480.680.610.490.270.640.790.490.680.990.550.880.591.440.941.201.501.421.481.281.601.331.121.631.621.361.061.371.461.040.911.431.251.421.091.071.310.530.720.540.400.500.670.860.970.360.530.760.381.101.491.561.541.06
L-TryptophanME9170450.910.540.540.250.620.840.400.770.780.530.810.581.100.821.071.451.421.101.041.370.771.011.541.321.791.121.911.801.170.961.371.341.541.010.891.170.440.890.670.360.500.790.770.880.270.480.620.420.562.312.141.931.32
L-GlutamateME9174890.640.390.330.220.541.000.350.610.720.580.840.581.360.821.291.401.241.491.351.600.800.941.171.531.550.901.681.441.241.181.571.271.530.670.901.23NA0.760.640.210.280.580.830.95NA0.300.620.261.371.972.261.871.15
N6-Acetyl-N6-hydroxy-L-lysineME9170410.920.550.51NA0.620.920.370.660.750.310.720.531.130.851.051.271.351.171.261.670.970.841.241.311.891.071.701.711.311.031.531.391.180.750.671.100.320.890.540.300.330.680.760.81NA0.330.530.241.261.862.232.541.08
GTPME9174620.760.350.620.240.570.980.430.700.730.480.830.551.080.721.341.391.651.031.061.640.780.781.531.321.651.261.861.711.560.991.571.581.170.760.831.260.360.840.500.210.390.720.851.120.170.470.820.591.171.901.752.081.29
CTPME9174600.920.410.510.250.680.930.530.800.690.550.900.631.210.871.271.421.361.221.311.720.870.741.231.351.441.271.811.731.461.281.451.581.130.830.771.010.440.860.580.330.530.610.890.790.270.370.580.411.111.961.892.171.09
UDP-N-acetyl-D-galactosamineME9174660.670.480.380.220.630.980.500.520.580.450.870.321.170.891.321.331.411.161.181.550.710.881.341.231.751.201.921.601.471.231.601.611.180.920.761.100.400.790.610.340.500.650.910.850.250.390.640.411.342.132.242.331.10
[FA (16:2)] N-hexadecyl-ethanolamineME9172170.480.320.400.310.620.720.470.570.740.520.960.600.920.690.911.131.491.131.251.531.091.061.781.741.531.081.701.731.431.281.781.591.610.841.081.380.310.660.420.280.420.540.780.940.340.500.810.651.061.901.711.851.38
CDP-DG(16:0/18:2(9Z,12Z))ME9174920.430.380.450.140.721.100.620.700.660.610.800.451.220.991.331.261.421.321.271.611.041.041.451.111.501.281.841.471.761.412.282.321.060.630.951.270.320.610.400.280.510.580.840.830.280.480.590.450.901.561.651.741.07
(1-Ribosylimidazole)-4-acetateME9171210.200.160.170.100.660.810.480.560.620.480.670.491.240.961.101.441.701.591.301.861.281.371.581.361.420.971.541.321.531.432.121.761.300.651.031.160.260.480.370.200.360.380.640.660.300.470.580.441.512.272.252.331.09
8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b^]dipyran-4-oneME9171130.400.340.270.130.640.880.470.620.660.480.670.521.080.981.111.241.611.431.151.711.131.131.451.311.420.911.411.281.721.611.871.821.500.771.091.260.310.550.360.230.430.520.750.640.300.570.560.431.392.362.352.250.97
N6-(1,2-Dicarboxyethyl)-AMPME9170500.430.340.290.160.600.820.570.600.630.440.690.481.121.011.251.381.661.471.411.841.101.121.641.461.581.001.621.371.701.552.191.871.290.640.991.240.290.510.360.230.420.550.880.680.230.450.590.461.291.891.841.751.03
Pro-ArgME9170590.440.270.330.140.570.700.490.630.530.440.670.470.950.751.101.391.721.521.322.101.361.071.711.601.551.071.611.581.811.692.272.091.220.661.081.310.260.480.340.180.280.420.720.630.200.460.550.511.161.771.821.861.16
1-deoxyxylonojirimycinME9173410.510.360.390.220.630.860.580.740.720.490.740.551.081.091.221.251.561.301.411.591.031.181.761.491.590.901.461.291.681.451.811.761.380.710.911.120.340.650.400.170.600.560.720.740.220.580.680.511.151.871.782.081.14
Ile-Pro-ProME9170990.400.290.310.140.560.700.440.520.620.490.700.511.281.061.221.561.831.651.301.821.211.311.631.431.360.901.311.081.531.351.881.841.340.811.221.300.280.510.360.180.430.580.930.840.290.580.650.521.311.801.811.941.08
Val-Pro-ProME9174120.200.250.200.130.500.620.510.300.580.570.800.531.240.931.201.242.021.801.831.872.162.882.241.931.000.681.050.751.161.201.801.591.640.921.381.410.410.250.350.230.450.370.460.470.560.750.790.491.672.492.402.491.18
3-DehydroxycarnitineME9173010.320.250.220.200.520.710.710.530.670.480.670.451.291.291.291.531.751.912.221.671.562.042.071.791.050.841.451.081.551.421.971.941.820.921.311.470.250.470.370.330.280.350.410.630.550.570.630.361.782.302.332.301.09
L-HistidineME9170220.320.250.220.210.530.720.720.530.680.490.680.461.310.890.981.041.771.932.251.681.582.062.091.811.070.851.471.091.561.431.991.961.840.931.331.480.250.470.380.330.280.350.410.630.560.360.560.271.802.322.362.321.11
indole-3-acetyl-valineME9174360.420.330.320.320.440.720.520.690.600.520.660.491.121.380.770.951.721.870.781.541.381.741.801.560.870.561.281.000.891.241.551.441.991.051.361.180.290.480.41NA0.310.510.490.680.360.640.920.891.591.951.932.281.23
(1R,4S)-fenchan-2-oneME9172950.710.560.440.310.510.750.390.650.820.630.760.620.970.870.950.991.111.211.331.131.421.741.711.581.060.791.251.071.221.171.651.682.081.081.541.650.400.620.500.380.490.560.650.940.400.720.740.561.311.671.871.681.15
L-AlanineME9170360.710.580.410.270.460.740.460.620.750.550.780.590.860.760.800.731.111.211.331.131.421.741.711.571.060.791.100.951.221.171.651.682.081.121.401.720.400.650.520.300.490.560.650.940.420.640.790.561.402.132.102.091.13
(R)-2,3-Dihydroxy-3-methylpentanoateME9170610.21NA0.18NA0.500.580.290.660.800.620.880.671.280.691.221.321.571.450.811.531.331.151.471.321.300.791.211.401.521.261.211.401.690.871.141.080.460.550.620.240.500.580.630.490.291.300.580.611.522.182.042.011.01
Glu-ThrME917482NANANANA0.460.860.410.530.500.440.590.331.200.950.681.211.961.611.251.631.211.511.771.340.930.561.360.601.371.251.721.571.380.590.981.190.230.370.18NA0.340.450.500.420.230.640.560.491.632.372.352.660.65
L-beta-aspartyl-L-threonineME917481NANANANA0.620.840.440.300.450.450.390.511.151.140.920.911.771.400.801.361.721.411.511.330.990.671.190.771.981.451.681.631.590.661.101.360.300.360.22NA0.310.260.660.36NA0.600.580.501.232.181.962.030.96
UDP-N-acetylmuramateME917387NANANANA0.760.870.600.550.830.520.780.491.220.980.811.001.711.591.161.431.321.391.471.590.780.610.890.761.591.351.831.291.540.601.071.270.190.440.30NA0.360.260.440.310.290.680.710.701.312.062.042.211.03
TemurinME9172850.130.130.120.230.500.780.440.500.530.590.650.401.141.000.881.311.731.331.771.761.221.921.571.670.910.711.051.091.461.492.311.811.541.051.931.470.280.470.430.290.300.390.450.560.390.760.840.801.242.181.992.201.19
MontecristinME9174290.550.380.270.200.570.880.350.540.710.630.720.501.230.811.281.271.631.491.591.591.151.931.581.041.160.801.361.141.111.182.151.571.661.021.131.350.210.590.600.390.450.680.610.740.440.790.840.541.361.991.891.951.27
Ile-Lys-ProME9173950.600.520.420.240.710.940.490.600.840.630.730.471.381.041.161.221.871.481.471.581.271.761.511.471.130.851.111.101.361.431.501.461.660.931.051.340.360.670.460.280.440.620.560.690.420.840.690.441.361.611.561.541.15
sn-glycero-3-PhosphocholineME9173300.370.600.31NA0.790.880.280.410.750.620.820.321.270.991.231.432.361.601.351.551.141.631.411.311.210.931.131.121.221.411.371.481.610.941.161.290.320.720.510.240.380.600.670.600.220.780.870.531.201.521.531.901.15
2-Aminobutan-4-olideME9173750.320.250.25NA0.380.790.370.670.860.560.840.631.070.851.191.411.701.781.461.561.271.941.701.720.870.880.951.071.121.231.581.531.630.921.091.41NA0.580.34NA0.260.430.600.720.320.620.740.291.011.721.611.751.17
3-MethylcrotonylglycineME9172610.270.270.210.170.630.750.540.660.840.640.710.441.301.121.341.401.721.591.851.551.531.621.901.571.230.871.231.151.411.431.771.671.690.891.331.530.240.520.380.210.240.580.540.800.230.720.630.470.851.781.951.761.16
5^-methylthioformycinME9172430.270.270.240.190.630.750.540.660.840.640.710.441.301.121.341.401.721.591.851.521.531.621.901.701.110.871.271.081.331.411.771.551.690.851.331.530.280.520.380.220.340.580.560.800.410.720.630.470.741.632.071.851.16
PE(32:1)ME9171090.320.220.220.120.510.810.390.480.720.510.700.461.270.991.131.351.781.791.571.721.531.721.871.661.140.751.241.001.621.311.881.621.770.941.391.470.240.470.320.170.370.490.660.660.370.880.720.481.241.601.571.741.07
Pro-HisME9173380.420.310.300.150.580.810.440.540.690.480.730.461.151.031.171.221.811.631.741.881.421.821.801.811.040.741.301.111.281.461.901.661.580.971.221.500.280.510.380.230.300.470.560.620.420.750.740.490.921.641.711.741.09
Gamma-GlutamyltyrosineME9174010.360.290.240.230.510.630.590.470.640.570.780.421.221.051.151.181.551.441.811.411.251.901.701.651.030.761.311.031.111.211.451.621.320.921.191.280.330.470.430.270.200.450.370.580.480.770.730.401.012.772.592.671.18
homomethionineME9171580.300.18NANA0.450.700.380.610.650.320.680.570.980.871.061.351.711.401.851.491.261.811.741.610.960.621.111.101.371.171.591.321.570.821.191.25NA0.500.410.190.390.310.490.590.270.630.760.540.982.032.442.401.03
Ala-Ala-ProME9171040.330.260.220.160.550.820.460.500.760.570.740.471.221.051.111.141.851.591.611.701.421.851.701.511.000.731.110.911.341.311.531.401.620.991.341.310.280.500.360.240.300.390.490.530.450.770.750.541.762.202.012.141.12
FA hydroxy(18:1)ME9175140.390.230.39NA0.580.770.460.500.610.410.730.461.130.941.121.321.721.921.531.611.401.321.731.571.010.771.311.241.311.171.661.251.240.661.061.270.180.470.38NA0.360.450.650.620.270.770.560.421.272.432.222.131.03
4-Carboxymethyl-3-methylbut-2-en-1,4-olideME9172810.390.280.360.130.600.760.400.470.580.490.610.441.281.141.391.481.921.581.261.551.521.631.381.291.451.001.311.111.371.211.331.221.320.891.190.980.310.500.370.210.520.610.760.600.290.920.650.571.282.152.402.401.15
Nicotinamide D-ribonucleotideME9171510.530.420.36NA0.640.730.540.580.720.510.770.481.211.161.071.321.641.831.181.431.251.751.591.521.230.891.391.001.411.241.451.261.541.011.231.360.410.520.490.310.540.590.730.650.370.780.680.481.582.462.382.171.06
3-UreidoisobutyrateME9173880.510.320.300.100.600.870.480.540.800.480.740.421.160.860.871.051.941.411.361.581.911.631.761.461.290.851.091.071.711.361.821.661.650.961.021.260.290.540.430.190.390.500.590.520.340.810.600.501.252.072.042.110.92
Ala-Gly-ProME9170890.500.300.300.110.580.780.410.540.750.450.730.461.150.981.171.272.001.951.411.941.721.521.891.731.390.941.291.151.731.461.871.631.650.861.291.390.290.580.370.180.430.540.680.580.300.690.620.411.261.871.911.941.05
CoformycinME9173020.400.250.300.120.550.800.360.450.730.480.780.441.131.051.181.192.291.991.261.592.251.531.711.531.190.761.211.031.271.001.421.231.840.761.201.290.270.580.350.150.390.480.630.540.320.710.640.481.192.212.312.211.04
beta-D-Glucosyloxydestruxin BME9171170.360.270.230.080.420.650.400.400.650.430.610.411.370.971.101.261.621.921.341.621.791.811.571.671.210.791.210.871.671.291.731.531.760.821.121.270.230.460.320.190.340.400.470.530.370.690.610.381.212.542.562.520.96
PE(32:0)ME9171160.360.270.230.110.480.680.400.430.620.440.560.381.180.970.981.241.881.911.521.611.791.871.751.661.200.791.200.991.661.231.821.511.760.821.111.260.230.460.320.180.340.360.470.500.370.690.600.381.372.212.552.331.00
CPPUME9171190.200.160.160.060.440.680.440.460.480.340.540.310.960.840.891.062.262.101.102.491.941.311.971.781.490.781.321.102.091.572.031.781.340.591.031.230.220.380.250.130.410.480.810.540.190.380.390.441.292.252.172.331.05
ATPME9171900.480.280.530.160.300.600.390.380.600.300.510.191.781.491.761.391.802.371.961.521.991.482.281.571.491.101.251.031.191.181.471.210.780.470.600.940.130.250.160.140.490.560.640.500.270.770.540.361.332.102.392.241.30
sn-Glycerol 3-phosphateME9172120.530.260.470.180.340.670.370.410.490.330.460.221.761.471.661.411.902.312.071.561.931.652.171.481.530.921.311.251.300.881.621.320.790.430.691.000.120.270.150.110.400.460.670.530.300.850.610.271.472.252.252.111.04
UrateME9175320.480.350.480.170.630.790.770.660.810.600.690.521.451.661.591.571.942.091.181.492.391.211.791.291.551.201.461.411.501.311.350.931.000.890.841.150.540.710.590.500.650.670.710.660.330.990.740.811.451.691.671.611.49
EnprofyllineME9172140.310.170.360.090.550.990.690.620.700.470.650.341.021.141.291.092.032.011.221.572.331.571.881.551.290.841.230.951.491.471.671.241.441.221.241.200.280.490.410.230.380.390.490.390.281.050.610.561.041.801.861.661.14
N-acetyl -D- glucosaminitolME9172080.380.200.460.210.670.870.650.600.600.510.740.471.321.041.331.231.992.271.511.581.801.612.191.401.150.891.521.311.751.131.691.291.380.871.251.340.580.420.480.240.530.660.680.720.330.940.650.821.191.792.091.831.11
O-Acetyl-L-serineME9172210.380.230.460.250.670.870.650.590.600.510.740.471.221.031.330.921.992.261.511.581.841.612.181.401.140.891.521.311.751.431.651.191.370.731.251.340.580.550.480.450.530.660.680.720.330.940.650.561.191.792.081.821.11
3,6-Dideoxy-L-galactoseME9174510.170.140.15NA0.450.710.520.450.540.330.490.191.230.991.511.292.061.811.591.781.941.771.791.381.240.911.621.251.821.691.921.481.130.641.161.070.240.340.230.140.490.490.740.550.340.760.510.501.331.761.691.651.05
CDP-N-dimethylethanolamineME9171240.480.260.580.180.320.770.410.500.460.220.450.221.071.151.381.192.672.991.441.981.961.391.761.421.261.061.251.162.021.761.881.551.130.550.791.070.230.350.260.230.320.440.660.460.180.710.370.371.231.781.801.731.15
Valyl-HistidineME9171880.460.260.440.170.350.600.480.390.560.300.420.261.271.441.331.262.192.491.741.732.211.621.781.441.471.021.381.221.791.591.741.401.210.670.911.160.220.300.310.200.430.510.630.560.200.690.420.361.231.691.671.671.15
N-Acetyl-L-histidineME9171390.500.400.560.330.790.760.640.790.660.530.920.511.521.291.531.451.761.171.561.951.111.281.761.351.782.022.031.591.491.331.491.601.250.750.831.040.520.620.510.400.420.490.700.710.310.300.670.340.690.890.990.931.18
Gln-Pro-His-HisME9170300.580.320.420.290.580.890.520.630.540.481.030.481.291.321.701.751.461.451.592.051.031.071.651.532.512.151.981.801.401.141.961.761.080.560.791.060.390.540.720.400.420.380.580.610.360.420.710.330.820.860.750.741.12
N6-Acetyl-L-lysineME9170620.590.320.430.300.590.910.520.640.640.550.690.491.311.351.731.781.481.141.622.080.801.091.681.562.552.192.011.831.421.161.991.791.100.570.811.080.400.530.740.400.430.380.590.630.370.490.720.340.650.870.770.761.14
TetraacetylethylenediamineME9174790.350.330.300.130.630.900.450.880.990.560.740.701.101.091.471.411.521.121.552.060.791.011.241.751.571.251.551.791.081.111.541.451.140.911.251.310.430.790.600.420.350.510.561.060.150.480.950.541.421.481.241.491.51
L-GlutamineME9170741.080.570.610.290.630.760.440.640.610.420.890.461.061.161.251.431.741.631.301.861.890.791.441.421.421.101.541.561.481.191.761.491.240.680.931.050.470.820.560.300.460.680.900.810.290.440.500.351.751.321.071.181.28
CreatineME9173130.800.430.540.210.590.860.430.600.710.360.730.391.071.161.471.521.851.581.512.111.540.971.811.611.791.201.641.791.721.251.931.681.320.690.881.200.360.730.500.220.500.610.780.690.250.450.510.321.340.790.840.891.25
PE(34:2)ME9173260.980.440.660.220.570.760.430.670.640.330.820.431.021.021.261.412.010.861.552.261.450.971.631.911.881.311.751.921.641.121.941.441.260.660.901.240.420.800.510.240.510.710.900.770.260.420.550.431.070.860.951.031.22
Asp-Leu-Gln-ProME9171280.630.420.360.200.580.750.660.760.640.430.780.621.180.861.412.021.291.281.251.960.810.851.261.391.701.252.321.871.331.312.112.081.060.810.811.310.340.570.520.310.390.631.010.690.140.430.670.371.151.341.451.561.08
Thr-ArgME9174060.790.630.730.430.650.920.550.880.780.540.920.641.090.841.501.811.501.291.311.831.040.551.171.621.481.252.081.711.341.221.701.751.380.800.821.170.500.920.610.380.550.811.070.920.090.470.730.501.290.971.121.181.20
His-LeuME9170860.820.580.610.370.680.840.590.750.780.640.810.741.120.941.191.371.291.241.511.761.040.931.401.221.540.991.631.351.491.411.831.781.160.851.051.260.360.730.490.270.540.741.011.250.420.520.700.540.941.341.271.241.11
PE(36:2)ME9170900.800.460.500.250.620.890.480.740.660.460.760.471.070.991.431.451.681.531.591.791.140.891.451.451.741.151.831.691.561.361.961.751.190.750.911.130.390.800.510.320.470.700.840.890.250.420.600.441.111.251.171.161.12
Cys-GlyME9174110.580.390.480.200.821.040.620.931.230.680.790.580.471.151.451.072.092.031.871.911.321.050.861.751.080.921.310.761.311.681.241.091.901.341.821.500.470.600.510.350.490.600.580.720.560.580.510.411.641.561.501.451.02
Gly-Pro-ProME9173150.810.910.720.440.740.830.640.770.700.740.750.810.790.791.081.081.341.241.211.121.431.291.361.171.170.981.170.981.381.271.561.662.081.591.762.030.680.850.750.520.700.900.931.100.721.431.081.201.971.101.251.051.15
methyl pyruvateME9173110.840.860.680.440.800.900.710.840.700.720.720.720.970.861.181.141.461.351.321.221.251.411.261.031.271.071.271.021.501.311.531.811.641.721.572.170.720.850.810.560.630.770.811.120.781.551.181.310.491.201.361.141.25
5,6-DihydrothymineME9173280.500.380.370.430.891.020.740.981.091.360.910.921.201.361.261.110.971.251.891.431.011.621.241.301.860.701.340.651.421.691.811.681.451.501.641.250.640.650.770.700.360.330.651.230.741.281.331.311.201.091.021.051.21
7-MethylguanineME9173610.470.330.330.410.691.120.701.130.941.120.990.931.121.581.030.970.991.091.691.221.141.491.341.391.751.061.270.901.411.241.501.511.481.901.841.440.750.750.780.740.650.590.670.911.121.411.361.500.331.131.191.331.25
N-Acetyl-L-phenylalanineME917452NA0.180.160.130.501.090.510.940.570.890.730.531.101.021.041.271.101.151.551.811.141.771.451.651.240.741.171.011.301.291.701.511.291.161.731.300.560.520.590.520.460.430.580.800.260.831.161.010.751.341.691.541.23
L-OrnithineME9173140.450.240.400.340.741.340.590.930.700.930.860.641.021.031.240.901.041.011.201.351.371.581.471.521.510.931.310.981.391.461.471.271.411.221.661.350.580.600.740.470.490.470.740.900.530.970.911.020.851.171.221.111.37
PIPESME9175010.11NA0.10NA0.631.120.431.050.691.000.860.750.800.771.180.991.020.861.291.381.191.701.301.531.441.131.320.911.441.421.821.421.451.431.811.100.520.570.600.390.360.410.650.800.630.921.231.360.851.121.180.990.97
3-KetosphingosineME9172831.030.560.800.490.620.970.560.860.900.601.090.671.230.900.991.041.531.131.501.511.031.291.331.791.020.721.411.321.540.981.281.251.561.111.201.260.470.820.620.350.390.630.741.110.741.080.700.860.850.981.101.331.13
O-Acetyl-L-homoserineME9170640.510.460.470.350.780.880.750.990.990.820.960.871.161.171.191.221.191.191.071.261.171.261.261.181.180.901.231.031.291.261.381.301.541.301.421.290.570.610.630.520.510.570.720.910.520.970.800.860.991.461.541.511.06
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-olME9172710.560.500.450.320.831.000.770.881.000.770.990.881.041.071.051.111.131.251.061.271.101.241.331.171.050.891.131.151.301.221.341.231.491.361.351.330.630.620.630.530.610.560.760.900.540.920.800.831.101.591.671.631.06
gamma-L-Glutamyl-D-alanineME9170710.680.670.610.390.750.980.640.851.130.840.930.671.621.441.221.371.291.551.371.331.241.591.491.461.140.901.231.061.451.471.511.521.101.351.481.380.460.760.530.340.630.770.911.550.751.331.230.921.091.221.251.251.30
L-LeucineME9170810.630.630.570.360.730.940.590.791.030.770.860.621.441.191.101.331.201.311.231.231.151.441.381.351.060.831.130.981.351.361.401.411.481.311.371.320.420.700.490.310.580.720.841.440.731.231.140.851.011.171.161.151.21
2-hydroxymethylolanzapineME9173210.870.600.66NA0.621.040.340.770.750.440.980.871.091.411.241.661.651.371.731.211.060.981.661.630.940.910.771.090.871.071.301.491.391.121.171.490.300.940.49NA0.360.740.970.70NA0.740.870.560.801.231.021.021.01
Glutathione disulfideME9174690.640.490.530.840.611.100.641.250.580.541.000.631.220.801.201.181.661.341.321.611.431.841.452.100.990.691.181.231.281.361.511.551.681.131.291.640.440.460.590.440.510.510.560.581.200.830.810.791.051.741.371.661.03
Imidazol-5-yl-pyruvateME9173640.150.150.170.130.521.080.670.580.710.470.880.451.031.341.831.261.511.841.651.691.631.992.071.420.800.671.360.701.791.631.921.421.841.101.671.260.290.420.360.350.520.631.210.930.441.130.850.520.801.011.240.960.92
L-Lysine 1,6-lactamME9173540.290.270.320.300.631.080.760.680.790.520.930.541.101.391.831.221.521.711.611.661.612.002.011.500.860.721.410.861.811.791.791.321.941.181.611.290.380.440.440.490.660.741.300.930.541.220.990.630.981.081.131.111.05
d-biotin d-sulfoxideME9173230.400.320.380.130.871.180.770.880.890.620.790.581.581.571.681.662.501.921.821.841.871.801.471.691.521.151.391.321.231.381.561.331.260.851.120.990.500.790.670.430.410.490.930.640.390.630.530.381.171.161.121.041.23
Deoxyguanidinoproclavaminic acidME9173490.410.340.340.170.881.140.940.720.920.640.720.561.721.571.541.972.432.301.921.881.791.821.631.491.671.311.551.271.271.231.681.331.200.831.110.950.530.730.670.480.410.450.920.720.430.640.510.371.111.161.101.081.20
RibothymidineME917333NANANANA0.521.000.490.550.580.390.460.471.131.221.151.211.901.981.912.201.451.941.961.670.810.631.220.891.321.141.771.521.100.851.160.920.210.410.400.260.270.440.650.860.250.660.590.461.051.411.411.140.99
2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridineME917156NANANANA0.530.700.910.670.710.580.750.271.271.231.961.791.461.702.001.741.651.681.881.510.980.961.571.281.221.131.851.560.640.771.030.810.270.280.490.270.280.510.720.440.260.660.500.390.881.081.041.011.11
Asn-Thr-Pro-ProME917154NA0.180.20NA0.520.700.880.670.680.560.720.271.321.191.891.722.051.622.151.841.591.661.821.461.190.931.651.341.251.091.791.511.150.621.251.040.260.330.480.260.280.490.700.480.260.640.530.380.891.141.261.061.07
2,3-DimethylmaleateME9172650.340.190.18NA0.530.630.600.530.600.510.620.481.361.151.691.481.741.982.451.661.841.941.921.751.060.831.381.131.141.341.951.411.340.831.560.950.210.410.430.240.390.420.600.710.510.650.660.431.011.011.151.170.88
DeoxycytidineME9172890.340.190.18NA0.530.640.600.530.600.510.620.481.361.201.691.621.741.982.451.821.651.692.031.751.070.831.391.131.211.331.961.531.160.801.451.080.210.420.430.230.400.420.610.710.510.660.660.430.850.971.081.081.20
FumarateME9175240.220.170.180.120.740.860.720.750.710.500.770.491.441.241.711.691.681.881.971.661.611.671.761.321.050.991.561.151.461.411.881.781.360.861.301.140.400.510.540.350.430.520.760.800.300.710.450.431.031.231.351.261.08
D-ProlineME9172980.270.160.14NA0.610.750.630.610.680.590.590.541.261.261.501.832.011.851.822.071.781.491.791.451.201.011.461.521.301.381.851.311.260.591.201.210.450.460.370.130.380.400.640.690.330.830.600.491.001.111.100.931.12
MannitolME9172370.280.170.14NA0.660.830.550.640.680.560.610.501.161.291.361.621.962.101.841.951.681.401.691.441.180.951.401.431.221.301.881.491.190.741.201.160.420.570.410.240.370.480.600.660.330.900.610.541.011.251.281.081.00
AmmodendrineME9172780.450.270.350.160.430.820.570.630.910.510.830.491.090.881.111.221.851.721.691.881.801.541.911.831.390.891.291.071.53NA1.681.521.691.031.391.450.320.500.430.230.370.460.560.520.460.810.720.531.241.271.261.331.13
Valyl-MethionineME9173930.780.580.670.410.620.940.570.750.960.540.910.711.010.891.061.111.501.401.471.371.852.081.891.731.200.881.171.240.921.081.651.211.921.071.691.890.620.760.460.370.550.610.820.720.471.210.720.881.101.351.211.260.97
CuauhtemoneME9173710.210.16NANA0.930.950.780.711.080.660.680.551.151.331.201.531.671.831.501.541.601.531.401.131.120.961.351.291.401.261.311.561.360.991.191.260.310.510.520.290.750.550.640.570.640.970.720.310.961.171.030.881.01
Asn-Glu-Ile-ProME9171700.39NANANA0.380.800.400.740.950.520.970.501.031.001.261.221.411.551.871.411.591.591.791.701.040.771.080.981.221.172.151.451.330.941.351.440.270.570.350.280.350.390.660.880.320.941.050.560.981.301.101.051.00
SuccinyladenosineME9173800.820.560.590.310.731.030.520.870.940.590.930.641.161.030.951.201.731.591.601.881.701.742.012.031.050.881.021.181.741.481.791.531.791.291.791.730.430.850.570.460.410.560.540.870.420.750.900.461.081.191.251.161.31
Ala-Cys-Arg-HisME9174330.470.240.36NA0.681.090.710.570.710.580.960.510.820.871.091.041.871.891.321.691.751.621.921.580.940.821.351.081.591.422.041.301.431.211.381.280.390.560.430.130.440.470.750.450.401.210.880.600.811.011.161.110.98
Epsilon-(gamma-Glutamyl)-lysineME9170840.760.510.680.300.761.010.740.820.850.681.040.671.031.091.431.261.641.651.481.741.491.511.791.771.211.051.381.321.421.411.671.481.311.011.411.330.510.770.620.370.540.710.900.930.561.091.020.781.001.111.171.141.08
Thiamin diphosphateME9173620.720.610.610.710.780.810.880.700.940.820.930.711.121.001.121.261.481.671.341.481.591.651.661.440.970.791.051.171.231.291.641.331.261.071.441.250.580.720.660.650.640.650.720.820.810.901.050.760.961.001.081.191.04
L-2-Aminoadipate 6-semialdehydeME9170260.690.420.450.290.631.050.610.820.910.540.860.511.001.191.171.251.871.991.231.861.881.461.602.021.071.001.191.401.681.351.731.561.611.051.081.360.490.520.530.360.530.700.770.910.611.170.820.811.191.281.371.381.18
Phe-ArgME9172340.660.490.330.260.660.960.350.720.700.500.670.541.561.391.291.361.881.871.661.601.741.501.371.251.121.051.111.051.281.311.701.731.290.870.991.280.430.600.510.270.620.860.740.830.350.690.690.310.961.331.351.111.27
Aspartyl-L-prolineME9172620.530.410.390.300.640.910.460.690.760.560.700.531.101.360.971.251.591.532.391.631.631.401.551.631.100.871.161.351.271.441.861.681.351.001.231.390.380.540.480.320.360.550.590.980.470.860.730.560.551.161.281.351.19
gamma-Glutamyl-gamma-aminobutyraldehydeME9170980.510.310.430.150.701.030.700.750.840.650.930.541.241.211.451.401.942.021.791.861.851.851.941.831.151.051.421.301.691.581.891.581.581.101.431.420.380.660.470.230.380.580.760.700.501.070.860.590.971.181.221.201.13
Ala-Val-Asp-SerME9174720.410.270.340.210.690.770.560.700.800.580.790.511.041.001.331.321.882.041.751.821.781.681.911.711.060.751.271.201.401.291.611.451.431.001.331.430.350.610.410.320.480.480.580.750.450.800.820.530.931.051.071.141.11
TadalafilME9172270.600.480.450.150.650.900.590.630.850.620.800.601.211.101.181.421.551.751.871.741.741.711.891.661.030.961.051.041.391.301.771.441.580.971.431.680.390.670.510.440.490.410.570.760.520.930.830.641.041.341.151.251.17
(3R)-hydroxy-N-acetyl-(L)-arginineME9173770.610.430.400.320.640.930.560.560.750.560.770.571.301.221.361.201.501.491.801.611.411.671.661.391.420.851.371.171.421.481.261.811.380.981.281.210.430.560.490.340.590.530.620.780.570.960.750.650.881.001.271.171.05
N-HexadecanoylpyrrolidineME9171840.680.580.280.260.470.800.670.440.820.600.800.681.011.060.991.231.721.611.511.791.701.641.581.451.161.001.211.061.381.201.981.541.640.881.071.280.390.470.470.250.620.530.780.840.420.790.730.431.141.341.561.371.12
HarmalolME9171640.660.450.360.200.630.760.690.650.850.810.760.551.060.891.081.291.701.531.551.711.231.581.801.781.120.881.111.141.271.441.551.371.481.241.271.420.340.630.460.200.430.580.650.810.710.900.730.561.071.411.211.391.07
8-OxodeoxycoformycinME9172410.790.440.550.310.670.960.510.770.930.590.700.571.131.081.061.301.831.881.561.451.811.451.401.501.280.951.271.381.391.511.741.481.660.961.201.260.440.690.460.330.600.680.660.790.490.880.660.640.811.180.971.201.12
[PR] (+)-exo-5-HydroxycamphorME9173290.610.400.430.270.660.870.550.630.830.580.740.501.281.121.191.421.701.711.681.511.461.431.491.471.211.021.321.151.511.271.591.451.520.991.191.260.410.660.460.330.460.590.690.800.540.870.780.540.921.111.231.211.38
4-[N-γ-L-glutamyl-)-p-(β-aminoethyl)phenoxy-methyl]-2-(aminomethyl)furanME9173940.480.440.440.270.710.930.580.670.770.670.690.451.111.051.191.381.731.501.741.581.601.511.521.701.190.961.201.241.561.211.771.591.560.861.301.160.450.550.480.290.480.550.740.730.520.820.670.550.981.191.171.381.13
Furfural diethyl acetalME9173970.530.470.460.230.640.900.600.690.810.700.690.471.221.221.241.191.811.611.821.631.411.441.481.781.241.001.251.131.621.431.841.521.440.951.211.060.440.580.410.300.500.490.660.760.530.880.750.471.031.071.131.151.12
Ala-ProME9170550.560.450.470.230.680.950.550.640.740.550.710.491.091.011.181.181.801.671.601.611.441.651.641.511.270.941.231.111.561.361.761.601.441.071.331.320.370.620.440.270.350.570.600.870.510.840.760.520.681.441.341.311.10
L-AspartateME9172760.490.410.360.210.720.860.510.600.790.600.750.481.130.961.081.141.851.671.581.621.541.511.741.591.150.851.131.151.481.431.611.571.790.971.301.290.380.640.430.290.440.560.570.600.520.860.790.520.971.441.441.611.03
CHAPSME9173180.820.770.670.710.621.030.370.921.010.741.140.710.930.700.610.831.120.821.301.230.861.451.431.820.850.960.820.911.260.871.141.221.541.431.441.870.460.790.710.550.350.770.761.120.580.901.070.610.872.021.972.291.24
gamma-Glutamyl-beta-aminopropiononitrileME9171470.610.640.540.530.650.910.450.960.670.570.820.581.470.931.010.971.340.791.561.531.161.411.842.331.050.761.111.031.480.811.441.171.631.111.311.470.480.700.530.650.300.550.460.96NA0.770.801.010.562.081.822.551.67
Leucyl-HydroxyprolineME9174550.390.280.32NA0.911.010.420.410.670.520.870.521.271.300.990.651.581.080.751.351.391.521.991.531.351.091.070.461.431.051.421.131.851.231.341.370.420.510.750.310.500.800.900.260.330.810.960.731.372.142.461.161.10
N-Acetyl-L-leucineME9172880.720.620.48NA0.490.900.310.560.780.451.110.310.890.470.420.592.171.251.421.461.381.372.011.540.850.340.731.191.641.171.621.162.370.951.271.460.290.820.38NA0.270.550.300.33NA0.710.730.461.451.912.311.871.14
2-OxobutanoateME9170930.650.410.370.190.600.840.460.570.930.631.020.610.950.840.730.801.561.491.581.571.972.292.202.240.760.650.960.861.691.472.071.762.231.401.981.990.300.670.410.220.260.340.390.510.430.830.960.591.641.912.051.951.22
ApigeninidinME9170960.650.430.400.230.620.920.440.560.970.661.030.650.960.840.770.741.491.381.451.601.822.122.242.170.700.671.080.891.701.361.911.632.251.451.942.000.310.700.420.200.260.360.440.530.460.810.890.601.802.071.962.151.30
D-GlyceraldehydeME9175310.40NANANANA0.530.380.220.340.280.520.321.541.020.620.722.001.102.312.041.050.751.311.840.850.760.761.081.481.261.090.791.450.550.921.17NA0.500.470.30NA0.480.641.07NA0.580.46NA3.570.681.601.981.25
L-Glutamate methylesterME917304NANANANA0.450.610.550.820.670.590.800.530.710.680.640.730.991.261.201.541.020.921.321.150.860.640.790.881.601.611.891.361.230.751.031.37NA0.26NANA0.240.460.660.800.240.670.600.713.031.552.032.381.15
7,8-DiaminononanoateME9171741.260.540.790.510.400.870.190.590.520.250.800.350.850.580.570.941.490.660.791.260.960.711.011.991.210.870.801.301.290.581.000.851.430.670.821.390.410.990.440.320.461.001.062.06NA0.490.480.334.492.291.992.761.36
FA (12:1) dodecenoic acidME9174971.970.710.970.730.290.880.240.800.760.350.950.440.980.640.591.121.440.721.011.180.980.610.991.941.020.750.821.331.210.510.670.821.210.650.771.380.281.340.580.440.491.001.182.300.410.080.500.322.962.182.212.901.42
me-iPME9173761.271.040.810.730.550.850.260.840.780.431.230.670.930.670.660.891.010.660.911.000.680.751.121.731.080.941.021.150.850.520.810.691.271.010.781.230.431.080.770.510.631.011.171.830.280.480.720.393.082.312.342.751.39
Ala-Ala-Cys-ProME9174180.380.260.300.300.310.700.240.470.580.380.890.581.470.731.101.501.281.101.831.790.731.261.401.781.080.831.251.320.840.831.121.241.080.710.911.320.270.360.530.330.230.480.430.940.260.520.680.333.862.382.843.231.46
N-AcetylglutamineME9171800.23NA0.11NA0.220.790.230.390.620.240.820.511.120.831.131.461.211.081.151.680.971.241.451.650.990.631.261.321.260.961.281.131.641.031.250.98NA0.390.270.120.210.570.410.780.200.510.700.333.592.462.482.871.25
GlutathioneME9172690.470.360.330.180.430.620.430.600.450.390.680.470.990.921.161.741.100.931.821.530.720.741.071.141.280.921.601.550.910.861.281.240.880.620.600.940.320.610.610.370.350.430.550.720.190.290.480.324.283.193.683.651.04
PentanoateME9175190.460.200.280.170.410.930.480.770.570.340.860.471.961.180.951.591.360.701.931.760.530.611.041.351.390.921.631.990.880.601.100.920.980.530.680.840.360.960.650.660.260.280.400.720.260.290.400.214.742.702.582.921.25
NicotinateME9172700.320.290.46NA0.270.600.780.740.380.541.580.961.130.480.810.651.040.520.421.360.811.761.371.610.630.290.600.720.900.660.941.171.330.581.081.620.180.350.680.260.450.511.310.67NA0.361.160.762.563.783.563.831.88
Ala-Val-Gly-ProME9173191.270.870.720.400.600.790.450.691.060.721.120.810.740.430.440.410.830.780.780.871.021.281.541.540.660.570.560.681.040.611.000.972.261.301.371.810.371.010.600.330.490.620.590.780.330.690.950.651.563.123.403.630.89
CL(1^-[18:2(9Z,12Z)/0:0],3^-[18:2(9Z,12Z)/0:0])ME9174171.381.050.820.600.460.910.290.700.770.450.730.490.870.560.810.981.040.690.820.910.820.821.021.581.050.910.961.280.950.650.880.881.230.900.821.310.390.950.680.420.570.840.961.540.310.460.740.371.283.603.673.701.11
Ile-IleME9172641.370.910.940.390.500.850.350.870.780.570.920.650.740.490.701.091.130.710.871.210.810.751.001.591.070.881.121.550.980.580.840.861.270.940.811.460.441.130.750.470.550.961.091.690.140.490.810.421.542.792.983.101.11
5-MethylcytidineME9172680.400.720.320.370.730.840.440.451.010.991.221.031.150.600.660.831.060.880.510.960.391.681.331.121.100.491.130.751.121.020.970.971.481.180.861.210.420.670.820.620.950.760.910.89NA0.941.070.801.742.742.912.661.12
BetaineME9170970.590.830.710.950.700.810.730.800.710.800.870.900.960.770.770.820.680.640.760.790.571.000.841.020.770.710.830.880.670.760.720.880.900.820.851.000.680.710.950.850.700.850.781.350.630.721.000.761.433.773.943.851.17
Phe-Pro-ProME9171770.490.840.790.580.680.860.540.850.870.971.041.200.800.580.750.810.710.380.550.970.271.271.000.980.730.640.580.690.601.090.990.881.370.870.921.290.770.910.840.630.610.790.791.060.630.770.980.621.503.363.284.711.36
(S,S)-Np-HistidinylalanineME9172290.210.400.370.390.820.970.500.710.961.180.961.070.740.650.530.560.770.730.910.870.661.551.010.960.820.520.770.520.831.070.971.001.811.321.211.690.430.490.620.460.400.530.450.490.500.941.200.772.023.813.843.881.17
DeoxyadenosineME9171720.390.480.320.310.880.840.600.660.870.891.080.871.110.780.910.881.170.940.850.850.641.001.020.871.370.890.990.801.030.960.991.041.360.970.971.080.530.580.560.520.680.870.871.250.501.061.080.762.163.393.163.320.96
FA (14:2) tetradecadienalME9172310.250.270.280.240.810.680.280.700.750.820.870.711.120.600.730.701.100.931.020.890.851.351.110.771.050.800.910.721.060.920.920.921.480.870.961.130.400.500.520.400.610.820.941.020.330.960.910.652.264.253.714.171.01
1-Pyrroline-2-carboxylateME9173820.210.490.250.470.520.690.600.520.610.520.490.471.901.571.371.140.591.091.521.080.541.941.000.940.760.731.110.730.630.960.841.310.680.510.680.780.370.320.630.490.410.450.451.190.640.380.790.222.094.254.424.611.05
Ala-Gly-Pro-SerME9171020.210.490.250.470.520.680.590.510.600.520.490.471.791.561.411.000.671.081.451.100.541.931.000.930.800.811.050.820.620.950.841.300.670.500.680.780.290.310.620.500.500.450.561.380.640.360.790.212.074.224.394.581.05
Ala-Asn-SerME9170420.970.680.650.510.490.750.210.470.590.380.650.481.010.700.941.091.140.850.711.220.791.361.121.530.920.891.271.460.850.551.060.841.220.690.541.030.320.770.560.320.450.740.720.960.290.280.720.400.944.475.024.341.09
L-Methionine S-oxideME9170240.470.360.310.160.330.600.250.360.560.360.570.380.700.500.660.671.110.880.911.130.861.241.311.131.010.671.110.981.811.241.981.531.690.731.241.460.160.410.160.230.310.370.470.530.280.560.760.452.054.754.684.710.90
Calystegine C1ME9171530.470.38NANANA0.46NANANANA0.630.440.75NA1.670.740.910.88NA0.97NANA0.811.651.730.770.990.840.750.930.780.741.010.53NA0.82NA0.510.52NANANA0.59NANANA0.54NA1.222.933.062.420.56
2-chlorohexadecanolME917178NANANANANANANANANANA0.48NA0.67NA0.500.861.370.720.631.020.650.801.260.941.00NA0.550.610.690.770.670.660.98NA0.760.53NANANANANANANANANANANANA1.322.882.602.460.62
N-(3-acetamidopropyl)-4-aminobutanalME917251NANANANANA0.530.30NANANA0.23NA0.880.860.840.840.891.121.141.190.901.210.921.140.690.311.030.630.720.951.111.270.860.370.630.85NANANANANANANANANA0.290.41NA1.442.743.012.910.75
UracilME917506NANANANANA0.55NANANANA0.36NA1.270.551.220.551.331.100.741.070.491.221.110.860.820.311.250.551.130.801.211.781.100.260.360.41NANANANANA0.150.32NANANA0.29NA1.642.842.912.520.95
LL-2,6-DiaminoheptanedioateME9174901.240.580.430.45NA0.44NA0.490.50NA0.69NA0.570.580.740.721.281.151.291.360.660.801.401.740.670.570.932.230.670.530.791.361.170.571.141.23NA0.91NANANA0.620.790.71NANA0.54NA0.502.432.952.591.02
PantothenateME9170380.42NA0.22NA0.44NA0.480.550.480.390.570.531.180.801.131.680.920.871.371.78NA0.671.281.131.070.931.741.600.530.770.910.910.780.410.620.72NA0.800.54NANA0.330.340.54NANA0.46NA1.223.193.413.201.09
DamascenineME9171970.230.500.600.270.710.720.790.680.570.810.750.551.661.561.491.380.921.251.701.250.902.181.401.110.870.841.020.850.801.211.231.450.880.650.960.810.290.260.650.250.620.570.761.120.680.630.800.251.202.812.652.831.10
PS(32:0)ME917162NA0.16NA0.210.490.610.680.600.660.550.490.501.751.571.191.120.651.341.841.290.702.281.271.250.980.691.130.990.691.191.411.830.770.570.810.770.170.410.430.270.390.340.491.030.640.410.77NA2.022.952.643.120.88
D-Gluconic acidME9175170.310.270.200.300.440.620.540.480.570.480.610.442.262.301.051.321.221.393.381.410.981.691.471.170.920.641.620.870.901.081.391.591.120.720.961.050.270.360.370.570.210.340.460.700.640.620.700.291.782.502.292.240.92
Lysyl-HistidineME917282NA0.34NA0.520.350.560.510.580.370.340.650.562.572.831.531.350.721.062.811.560.252.001.051.490.510.741.051.040.670.741.261.320.840.430.780.780.170.190.460.620.230.550.502.020.710.470.950.181.222.142.512.451.47
D-Glucosamine 6-phosphateME9174700.680.830.380.200.220.370.29NA0.370.300.600.351.891.471.981.111.291.191.121.010.761.200.540.531.341.251.350.830.880.910.901.221.170.470.500.940.390.310.720.340.801.271.081.48NA0.900.840.261.773.432.713.131.13
Lithocholate3-O-glucuronideME9174430.470.330.520.340.280.360.210.170.210.170.190.082.381.792.162.172.282.111.621.541.071.240.820.782.041.362.001.410.970.861.151.040.590.260.360.480.190.290.230.180.480.790.740.730.190.290.260.231.823.243.503.090.96
20-COOH-leukotriene E4ME9171180.330.300.410.200.340.520.360.420.380.320.490.342.131.512.201.881.181.531.631.360.941.051.200.911.641.031.961.310.910.761.130.950.680.400.570.590.280.400.420.270.450.681.071.110.200.460.390.251.613.513.563.481.02
Jubanine BME9171150.300.310.380.200.360.570.380.420.420.290.400.332.491.482.191.861.371.451.471.350.841.101.050.901.450.901.951.370.850.721.031.000.620.410.560.560.290.370.450.270.430.671.081.130.200.370.360.201.713.583.444.120.98
(Ac)2-L-Lys-D-AlaME9170920.260.250.270.110.360.480.270.340.410.320.490.312.031.411.891.901.741.621.241.541.121.351.301.201.521.081.531.331.331.081.281.101.260.650.921.010.210.330.340.180.510.730.910.870.240.700.560.461.532.682.662.641.15
CAPSME9170870.260.240.280.140.370.470.320.360.410.320.490.301.801.531.942.001.601.641.341.541.161.331.261.211.361.071.621.411.361.111.381.201.120.690.901.020.240.370.340.200.540.750.921.000.260.660.580.461.692.392.412.511.07
FormylfusarochromanoneME9170510.140.100.100.040.540.730.500.540.450.290.480.302.021.361.761.932.192.031.181.491.881.561.311.241.831.162.031.641.341.191.441.140.750.320.560.610.320.490.360.250.510.460.680.320.090.240.150.171.373.143.143.210.92
N5-Ethyl-L-glutamineME9172160.110.080.110.050.530.730.490.510.450.320.460.341.871.261.961.772.011.731.311.421.471.281.180.891.741.362.231.581.481.161.631.170.700.330.560.670.300.470.380.230.490.530.600.450.090.260.180.171.343.203.283.210.91
3-(Pyrazol-1-yl)-L-alanineME9172420.240.22NANA0.700.890.280.330.560.441.100.531.550.331.050.491.401.180.861.360.921.641.101.300.960.480.900.771.180.601.031.161.120.400.591.35NA0.330.22NA0.420.320.380.28NA0.650.43NA2.013.843.993.731.38
CordycepinME9173250.240.220.20NA0.450.81NA0.310.460.821.260.701.700.411.100.531.690.921.261.741.091.461.281.061.320.450.830.811.370.861.190.641.150.640.560.610.270.230.28NA0.390.370.40NANA0.700.43NA2.193.383.533.211.48
Asp-Leu-Pro-ProME9170470.130.120.130.050.350.500.260.320.330.240.500.251.190.891.381.252.121.731.411.751.601.491.851.541.290.861.321.231.511.101.691.281.150.521.000.980.180.280.270.130.370.490.670.530.180.580.440.381.623.563.593.371.03
NAD+ME9170210.130.120.130.050.350.500.260.320.330.240.510.251.190.901.381.252.121.741.411.761.611.491.861.471.290.851.301.241.521.111.701.281.210.571.001.050.180.280.270.130.380.480.680.530.160.580.440.381.413.583.613.381.03
Orotate(Fragment)ME9174530.230.260.23NA0.510.840.280.520.490.310.610.251.490.931.360.991.871.371.581.540.991.571.301.221.100.821.160.620.620.921.341.411.380.560.981.130.190.450.260.110.330.460.550.470.240.550.770.372.493.383.803.800.98
D-GlucosamineME9170270.300.270.250.140.400.750.430.360.480.350.570.321.711.051.231.191.381.391.831.620.921.641.541.081.110.731.160.961.101.251.661.371.320.370.450.690.220.370.440.150.260.400.500.440.230.500.460.262.403.853.784.351.01
Stigmatellin YME9174410.230.250.23NA0.500.820.280.510.480.300.600.241.600.991.331.131.831.341.551.510.991.531.271.191.390.801.241.161.200.991.751.381.350.550.961.110.180.440.260.100.320.450.540.460.240.540.750.361.643.103.473.471.09
4,8-Dimethyl-1,3E,7-nonatrieneME9173060.330.330.280.130.530.650.430.350.500.460.570.351.610.951.341.331.931.541.471.650.941.641.441.231.300.831.231.121.511.201.781.221.210.610.770.770.250.430.400.270.270.390.520.510.240.550.650.291.703.383.823.780.98
DapME9172470.290.280.250.140.390.750.410.350.460.410.550.311.641.011.201.312.031.571.751.620.881.571.471.191.090.741.221.081.401.191.651.311.290.520.840.840.250.390.420.240.270.380.480.470.270.510.580.251.873.683.834.160.95
NorsanguinineME9171250.220.170.210.140.490.760.440.380.510.400.590.301.140.981.291.221.551.361.141.141.091.601.321.271.140.861.461.221.081.041.280.981.360.640.891.120.230.360.350.210.260.380.410.210.210.600.450.321.574.584.614.481.00
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholineME9171500.370.230.23NA0.390.540.200.340.610.350.460.280.960.880.730.901.801.821.041.671.611.591.771.991.030.691.040.761.331.001.240.921.630.661.081.310.240.440.220.100.300.330.530.480.160.420.420.371.343.814.474.010.91
LysoPE(18:1)ME9174670.570.390.30NA0.220.78NA0.280.440.290.680.240.990.580.530.821.581.081.121.131.041.481.661.490.760.470.660.840.900.771.310.981.540.621.051.21NA0.530.29NA0.280.590.390.64NA0.370.42NA2.093.863.823.940.99
LinatineME9172860.650.490.36NA0.290.61NA0.400.610.190.600.281.230.820.990.951.981.470.971.572.041.292.421.781.300.651.211.020.980.781.190.491.270.670.861.110.180.440.340.160.330.550.550.91NA0.350.360.201.233.263.423.151.01
Succinyl prolineME9171680.14NA0.10NA0.670.700.500.760.800.750.860.701.060.370.680.881.431.181.031.241.051.952.501.761.010.610.610.720.960.721.020.971.851.031.581.180.330.440.390.170.230.320.340.210.220.750.560.702.103.173.403.161.14
FasoracetamME9171890.34NANANA0.351.02NA0.310.620.330.720.281.230.841.261.191.491.351.171.510.860.971.061.161.251.091.261.510.960.841.550.941.120.660.620.970.320.640.59NA0.220.280.540.27NA0.310.32NA1.422.833.113.331.01
ADP ribose 1^^,2^^-phosphateME9173961.000.590.640.220.550.740.300.570.710.470.800.541.210.861.151.231.330.901.021.460.880.791.191.491.441.091.281.210.900.721.101.011.120.980.791.120.380.780.520.290.570.800.810.980.290.490.490.371.363.433.583.421.07
GlycylprolineME9170750.880.460.470.210.520.710.380.500.760.320.710.481.050.901.071.471.721.311.271.481.070.981.791.511.200.811.241.451.070.971.111.121.460.891.041.240.290.820.530.180.460.650.680.720.320.570.690.271.442.973.102.860.84
Gamma-GlutamylglutamineME9171350.350.220.600.250.340.670.370.350.720.280.400.301.141.221.321.111.711.921.511.561.991.541.521.261.101.181.241.171.431.421.991.201.260.710.801.300.210.320.280.200.540.370.640.380.230.760.510.261.152.872.952.881.01
N-(1-Deoxy-1-fructosyl)isoleucineME9171420.320.190.33NA0.580.980.260.340.590.310.690.491.180.851.211.151.371.301.121.851.090.941.261.461.201.041.211.441.681.521.801.811.150.630.901.030.310.610.56NA0.460.430.610.63NA0.310.550.271.312.882.832.220.73
Val-Val-ProME9171140.250.140.17NA0.590.760.480.600.520.450.630.430.870.850.741.021.421.411.081.751.241.231.601.460.970.720.930.932.161.531.961.751.580.711.291.450.180.330.24NA0.390.390.660.570.230.580.630.521.212.862.622.940.97
FA hydroxy(20:3)ME917511NANANANA0.310.440.110.100.550.220.660.141.380.720.950.831.461.641.241.381.621.961.711.500.900.420.750.671.461.201.460.991.500.891.201.37NA0.18NANA0.180.260.380.190.110.560.380.101.283.113.293.201.05
PS(36:0)ME917399NA0.22NANA0.460.64NANA0.390.320.370.301.060.891.161.351.391.411.221.351.091.651.641.300.900.831.220.921.091.241.311.391.310.881.041.01NA0.310.36NA0.470.300.370.37NA0.800.790.331.452.372.402.390.90
dihydrothymidineME9171260.29NANANA0.510.660.380.420.470.260.800.411.220.871.091.201.471.361.291.991.351.401.251.481.030.741.261.121.010.981.421.291.340.850.931.16NA0.320.35NA0.310.310.320.35NA0.470.640.411.752.902.512.170.89
PentylbenzeneME9172990.410.26NA0.330.390.820.360.660.600.370.760.351.060.800.921.251.551.321.561.621.031.591.491.621.120.641.231.321.161.071.351.311.370.761.271.420.290.520.370.170.270.430.590.630.380.690.650.501.902.982.552.641.32
Asn-ProME9173370.370.310.270.180.550.870.470.550.750.590.880.511.391.101.091.131.511.341.720.431.322.061.721.731.090.751.091.011.331.211.471.281.851.101.281.560.320.540.480.250.300.490.480.670.410.790.830.541.593.563.433.171.29
N-NitrosodiphenylamineME9171290.440.330.320.240.530.820.570.560.570.460.640.421.390.831.051.341.311.451.991.671.041.471.381.461.160.661.311.161.071.241.831.541.170.590.991.020.330.630.470.330.350.360.650.770.330.590.540.291.152.912.933.430.95
N-DecanoylglycineME9174090.260.250.26NA0.530.720.280.530.620.280.640.330.920.760.871.041.891.431.071.361.621.811.691.241.010.830.811.001.311.101.371.681.710.761.091.420.180.410.300.260.290.500.320.590.220.630.610.552.253.233.113.160.89
Leucyl-ThreonineME9172320.480.410.330.220.610.630.530.520.800.580.800.481.230.780.940.901.321.081.241.640.831.831.551.731.030.720.981.071.110.961.291.211.730.810.781.280.190.570.450.340.430.490.680.590.460.730.810.441.663.283.103.051.23
S-Adenosyl-L-homocysteineME9170600.310.260.240.170.420.720.380.490.600.470.680.470.990.760.921.031.441.321.621.611.261.951.962.060.860.621.010.931.131.161.691.441.610.941.281.580.250.450.360.210.210.360.440.670.310.700.730.431.402.933.002.991.20
L-LysineME9170880.390.300.270.200.520.830.470.560.730.590.760.531.301.001.041.171.671.421.771.681.342.151.821.761.070.741.111.041.301.281.711.571.710.991.211.520.290.540.430.270.290.440.540.710.430.710.780.491.703.193.223.131.28
CPXME9170520.320.240.210.140.480.710.400.490.600.500.580.381.100.921.031.091.681.541.431.611.361.781.701.550.990.681.140.901.211.251.601.451.530.951.151.300.250.420.320.190.300.400.450.560.340.630.610.441.563.003.443.160.95
[FA (18:0)] N-(9Z-octadecenoyl)-ethanolamineME9172740.300.230.180.100.470.750.380.430.610.460.670.431.230.931.121.121.481.631.671.461.402.001.731.540.970.651.080.821.311.161.491.421.820.911.231.400.250.540.390.230.290.420.450.480.340.550.670.341.973.143.253.051.07
Ile-ThrME9173240.410.340.160.140.540.790.500.450.590.510.620.541.310.851.111.101.431.471.661.731.131.761.591.570.940.741.221.280.941.101.581.271.350.781.051.310.270.490.460.240.360.490.620.620.230.740.700.511.282.933.032.961.21
HarmanME9170460.350.270.250.180.520.820.410.510.690.530.810.511.190.981.090.991.391.471.611.481.232.031.701.740.970.631.000.921.131.071.491.311.380.870.971.280.310.470.320.250.310.440.450.620.370.660.660.361.472.942.883.770.92
IndoleacrylicacidME9170290.300.260.190.200.520.720.450.510.620.540.680.531.260.981.041.021.411.441.511.451.251.911.661.701.060.681.130.951.141.151.351.261.380.821.011.150.300.490.370.260.360.460.510.700.430.630.660.501.672.943.203.281.01
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5^- diphosphateME9173090.400.360.300.170.530.740.470.470.640.560.700.471.020.800.901.031.361.251.291.531.011.721.651.700.960.671.061.011.020.901.071.071.411.030.871.290.280.530.430.280.300.390.550.510.420.620.690.442.163.563.713.730.96
L-ThreonineME9172400.360.280.250.090.500.700.340.430.590.480.630.401.030.750.861.071.551.451.321.371.331.751.641.371.010.641.060.931.261.271.531.371.600.841.261.390.240.480.370.180.320.450.500.440.280.680.620.412.043.293.373.511.08
L-TyrosineME9170490.340.260.240.170.490.780.390.490.650.500.770.491.230.930.920.991.321.231.531.411.141.701.611.281.040.721.170.911.181.131.411.331.480.741.201.210.290.450.360.270.290.420.480.630.370.690.670.411.673.373.593.571.10
5-exo-Hydroxy-1,2-campholideME9175080.490.210.290.210.330.780.290.420.600.310.830.371.020.670.770.971.701.261.511.991.401.241.702.330.950.720.890.911.121.041.561.251.501.021.311.460.170.540.330.230.180.450.560.990.290.790.640.651.482.782.962.921.63
FructosamineME9172190.480.330.380.280.460.810.390.600.630.610.830.580.820.660.770.941.731.051.501.651.121.711.511.870.740.560.790.821.161.031.361.381.721.061.481.920.310.420.450.270.210.410.490.670.410.720.860.450.972.903.133.231.38
PI(20:1)ME9172380.340.250.200.170.721.010.650.630.760.580.800.571.000.820.900.861.811.331.141.891.161.521.471.390.971.000.950.761.241.191.641.801.780.851.331.110.400.630.590.250.370.400.450.510.250.740.630.511.442.472.912.821.05
Formyl-5-hydroxykynurenamineME9170280.740.290.240.220.350.830.330.650.680.460.850.670.920.820.780.911.271.201.222.041.241.541.401.760.940.560.910.681.411.201.341.281.661.021.271.69NA0.320.440.200.200.400.620.800.390.710.890.561.892.782.832.630.99
Leucyl-HistidineME9172940.620.380.360.210.610.940.430.600.780.500.750.561.010.940.830.871.551.471.271.391.601.491.731.581.040.771.060.911.541.161.501.211.781.111.331.440.360.710.420.240.380.320.500.530.350.810.740.481.422.392.532.481.02
N2-Succinyl-L-ornithineME9170730.430.370.330.200.560.810.400.510.780.550.760.501.140.860.940.941.481.251.371.401.301.961.821.690.940.640.930.881.251.141.431.361.841.081.341.510.310.530.430.260.330.480.470.610.420.720.770.461.562.572.562.751.08
Tryptophyl-ProlineME9170790.440.360.320.260.600.840.440.480.740.520.880.581.050.880.870.931.431.191.281.401.231.861.731.600.940.740.950.831.201.081.201.201.900.991.211.460.300.530.460.290.330.500.510.690.400.680.810.521.782.872.782.801.17
gamma-Glutamyl-Se-methylselenocysteineME917427NANANANANA0.68NA0.300.510.490.660.300.990.480.640.421.281.661.411.561.192.111.421.380.53NA0.710.481.120.981.151.331.530.900.990.97NANA0.21NANANA0.470.31NA0.740.490.27NA2.672.132.541.01
Ile-Pro-TyrME917334NANANANANA0.38NANA0.30NA0.36NA0.550.500.680.562.001.911.481.532.011.772.141.331.010.420.600.481.130.761.560.821.170.621.231.44NA0.21NANANA0.700.470.23NA0.260.32NA1.121.901.751.820.50
(S)-AMPAME917502NANANANA0.270.650.280.190.52NA0.46NA1.220.950.991.612.191.651.351.251.221.120.870.811.550.901.201.271.281.471.501.231.100.510.931.11NA0.18NANA0.170.19NANANA0.260.310.161.351.861.691.781.35
AdenineME917365NANANANA0.730.810.370.380.720.330.750.330.870.731.031.171.751.481.641.571.381.371.641.441.050.801.141.051.301.091.821.821.170.610.871.32NA0.26NANA0.330.280.380.54NA0.440.640.431.251.771.511.611.03
Ile-ArgME917192NANANANA0.580.710.46NA0.410.370.580.311.190.600.971.321.341.281.231.921.521.251.301.361.070.551.280.721.291.461.601.441.180.530.851.03NANANANA0.340.370.430.43NANA0.51NA1.061.881.551.711.02
2-acetamidoglucalME917155NANANANA0.350.900.35NA0.260.390.490.081.340.680.730.871.551.001.541.441.271.141.341.590.990.441.240.931.121.101.571.120.520.471.101.39NANA0.09NANANA0.310.38NA0.340.410.302.052.521.962.971.38
5-Guanidino-2-oxopentanoateME917201NANANANA0.230.520.240.190.290.420.540.361.340.781.631.771.551.362.371.781.512.002.121.640.850.651.591.230.880.701.451.510.960.600.930.93NA0.390.320.150.150.230.380.180.190.380.630.221.842.212.372.331.10
ApigeninME917478NANANANA0.150.25NANA0.24NA0.39NA1.050.490.960.931.491.411.681.221.381.721.911.770.850.650.950.691.080.841.681.310.980.490.960.87NANANANA0.190.220.24NANA0.270.350.161.322.502.382.190.79
threo-SyringoylglycerolME9174470.22NA0.35NA0.210.540.350.300.800.420.600.231.231.030.951.401.161.941.971.441.701.781.881.660.850.690.840.971.081.081.791.341.470.791.061.10NA0.31NANANA0.220.220.270.320.810.820.271.312.122.171.980.95
Ile-SerME917357NA3.870.492.400.410.290.310.230.440.580.280.261.470.822.421.660.151.131.671.180.642.551.800.750.861.442.651.580.221.041.522.050.280.520.670.670.22NA0.44NA0.630.490.460.67NA0.320.940.210.870.941.381.280.85
Nalpha-MethylhistidineME9172720.480.30NA0.55NA0.420.760.40NANA0.15NA2.561.612.102.730.551.214.431.260.481.320.770.590.740.732.260.900.190.541.091.61NANANANANA0.360.310.44NA0.190.291.23NANANANANA0.951.110.800.59
PseudouridineME917136NA1.04NA1.600.300.181.240.140.380.730.131.232.841.392.612.51NA0.972.710.650.152.140.690.350.521.242.801.08NA0.650.852.20NA0.370.130.170.24NA0.562.270.450.180.211.26NA0.120.88NA0.730.841.291.120.85
alpha-IroneME9175180.270.910.40NA0.770.740.800.730.800.380.38NA1.891.802.232.010.461.382.151.240.300.891.050.711.632.092.381.590.551.101.642.110.560.920.690.390.770.500.810.760.530.320.711.14NA0.241.14NA0.44NANANA0.70
Asp-Ile-Ile-TrpME9171270.511.620.662.530.440.760.530.630.870.640.550.602.001.611.601.830.401.001.930.730.331.510.710.870.901.251.421.130.460.690.771.230.670.810.610.900.510.431.131.240.790.790.812.931.330.251.110.170.841.421.081.171.29
butyrylcholineME9170540.682.120.822.530.480.640.460.700.670.600.490.641.951.111.571.530.280.661.490.630.291.180.640.910.891.311.611.500.430.650.671.380.620.620.530.820.540.561.441.350.870.930.994.240.720.200.960.160.661.301.491.351.16
Ile-Thr-Pro-ProME9171400.480.940.690.970.520.550.490.560.570.570.660.542.562.051.702.140.671.362.381.180.441.610.891.050.991.061.141.160.600.910.941.220.810.980.930.820.400.450.791.150.660.781.042.320.550.561.050.22NA1.161.351.450.96
Val-TyrME9175120.401.130.551.650.560.631.050.660.730.670.480.782.481.992.261.600.431.082.591.160.461.150.890.821.051.472.441.680.631.061.322.000.540.720.520.650.550.430.941.420.770.700.842.681.040.300.940.290.941.481.321.270.90
2-Dehydro-3-deoxy-D-gluconateME9171410.250.410.290.520.750.781.130.660.600.490.470.542.251.772.081.860.711.502.751.610.681.611.181.031.101.002.121.260.761.381.662.150.530.420.740.740.410.330.640.670.370.500.661.630.620.290.650.171.251.371.321.281.07
Leu-Val-ProME9170440.280.700.420.930.630.640.960.620.660.660.450.662.191.531.881.680.531.282.361.150.601.581.070.961.191.542.251.460.651.371.372.030.580.550.670.800.480.340.781.020.610.500.742.150.940.250.950.310.641.191.021.161.00
1-4-beta-D-GlucanME9171200.400.660.470.770.600.750.830.760.520.570.590.611.921.782.091.570.530.881.541.160.430.880.790.821.231.272.141.430.681.001.271.410.530.580.560.690.490.450.810.820.560.580.812.150.530.330.820.221.262.622.472.221.11
CMPME9174680.490.860.711.270.610.720.520.690.750.670.530.582.941.431.321.370.741.071.511.430.311.740.911.140.830.971.261.010.710.610.831.110.660.810.740.980.270.480.870.920.430.770.602.870.540.270.930.251.632.221.841.981.27
Pro-Val-Pro-SerME9171450.660.780.961.030.340.650.290.800.390.330.630.491.821.691.261.460.730.822.021.300.531.101.111.250.780.921.141.020.690.690.831.121.080.691.031.240.260.600.720.680.550.941.053.930.470.350.80NA1.331.981.801.561.31
Ala-Val-Val-ProME9172220.291.660.416.421.601.001.150.391.841.870.250.932.202.260.400.360.321.130.48NA0.320.880.14NA0.391.870.690.300.470.500.110.460.370.330.090.101.170.510.751.973.511.100.532.002.160.600.360.120.990.760.700.830.96
Tyrosyl-ValineME9175130.583.001.427.860.660.671.640.610.490.760.570.970.711.530.290.410.250.44NA0.34NANA0.400.260.46NA0.57NA0.090.24NANA0.240.410.310.430.690.481.172.251.050.911.063.290.870.410.900.511.011.301.271.340.86
3-ButynoateME9173780.010.410.043.830.140.131.070.130.190.530.080.634.806.261.521.830.070.645.330.340.171.170.220.290.350.642.160.370.060.400.370.970.130.190.080.140.160.070.552.450.380.130.262.144.900.220.450.051.231.391.451.431.04
BicozamycinME917100NA0.620.076.140.110.090.540.090.100.330.060.364.867.211.541.810.070.494.400.260.170.940.190.230.350.651.850.320.050.380.290.650.110.180.080.130.140.070.451.990.370.160.231.914.110.180.280.051.191.401.341.381.00
(2R,4S)-2,4-DiaminopentanoateME917317NA0.60NA4.860.270.231.23NA0.220.30NA0.392.574.141.171.46NA0.682.290.17NA0.46NA0.330.180.481.390.32NANA0.260.54NANA0.13NA0.15NA0.262.100.510.150.163.933.06NA0.56NA0.420.540.490.380.63
PE(30:1)ME917327NA0.37NA4.860.34NA0.79NA0.180.310.150.772.232.491.251.51NA0.411.94NANA0.52NA0.190.24NA1.010.43NANANA0.67NA0.24NANANANA0.252.010.460.270.224.692.340.241.030.19NA0.510.490.450.95
PS(35:0)ME917148NA0.700.336.660.570.361.400.560.390.880.251.402.913.971.491.050.250.692.100.470.450.850.480.500.281.431.510.430.260.620.871.010.370.690.250.490.340.190.942.210.600.330.222.983.790.320.600.340.800.930.760.770.87
ADPME9172450.050.720.194.660.810.422.770.480.671.160.281.622.883.191.551.220.070.842.800.330.080.970.280.210.430.781.860.520.120.390.571.290.180.250.130.180.320.060.552.720.640.290.294.114.110.331.220.180.810.760.940.870.86
CardiosperminME917195NA0.54NA4.010.240.171.300.250.480.75NA1.093.083.391.991.75NA0.862.690.27NA0.990.180.410.471.272.150.41NA0.360.341.560.190.31NANA0.18NA0.572.260.520.230.322.772.770.471.17NA0.450.871.390.870.96
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoateME9172060.131.140.293.580.300.393.550.81NA0.450.231.891.642.641.821.210.160.580.790.270.541.210.381.00NA0.411.710.880.120.430.431.361.36NA0.190.500.220.270.351.720.370.25NA0.951.000.282.220.460.721.641.662.402.09
HercynineME917165NA0.14NA1.130.240.091.590.150.460.800.091.141.891.971.371.20NA0.903.400.440.182.320.480.260.410.872.400.530.070.831.072.450.240.410.170.300.18NA0.451.500.250.060.080.886.690.452.840.160.711.241.301.410.83
1,2-dihexadecanoyl-sn-glycero-3-phosphosulfocholineME9171230.010.560.074.080.600.473.640.470.822.250.322.932.062.400.810.980.060.523.420.270.201.560.320.380.230.371.090.240.080.380.360.990.230.330.160.230.340.131.084.420.390.130.221.465.020.250.670.091.061.291.391.220.97
Glu-Pro-ValME9171010.010.400.043.630.320.272.030.280.421.270.171.522.814.811.201.410.060.554.580.300.191.280.240.320.320.611.620.320.080.490.421.160.170.320.120.200.230.110.813.470.330.120.221.685.950.280.580.081.121.341.421.360.98
LaccarinME917167NA0.360.091.560.770.761.220.440.571.960.892.490.912.840.840.790.541.011.750.450.120.951.011.081.310.691.140.490.080.550.640.890.730.930.850.750.440.240.601.470.640.500.310.712.870.712.250.922.681.451.511.320.94
OctadecanamideME917176NA0.280.061.620.690.461.850.350.612.080.482.621.434.311.591.500.191.292.680.400.131.210.900.470.970.901.990.440.040.610.671.490.440.630.420.460.300.090.842.560.460.370.140.902.800.402.040.410.121.061.081.270.90
Valyl-ArginineME9171460.040.220.071.030.900.701.690.280.592.190.742.951.013.461.351.090.381.181.940.440.131.071.170.711.350.851.780.390.090.610.641.230.630.860.660.690.370.140.721.910.550.510.260.983.070.542.200.73NA1.301.311.350.96
Ala-Val-Gly-HisME917442NA0.570.051.960.970.523.190.601.322.410.413.071.661.361.081.070.050.812.400.480.272.800.860.430.280.601.450.420.100.690.911.800.290.580.340.410.450.091.263.100.280.120.150.911.980.261.390.150.701.331.291.400.91
Ala-Leu-Gly-ProME917236NA0.280.021.150.790.502.840.500.981.690.291.971.871.801.661.590.081.173.370.590.313.110.880.470.350.751.750.480.080.670.921.820.240.430.220.310.350.071.162.500.390.170.211.152.380.211.350.150.751.281.501.440.98
Glu-Phe-Pro-ProME917137NA0.330.031.030.810.453.090.531.001.830.302.052.071.781.561.570.081.223.280.530.313.310.850.450.360.651.670.520.090.600.861.710.270.450.230.310.370.071.062.650.340.150.201.152.360.251.490.120.741.321.301.330.93
Semilepidinoside AME917179NA0.290.030.960.790.463.110.511.051.840.292.052.131.531.501.580.061.113.340.560.303.270.880.410.370.691.760.480.080.670.912.040.210.430.230.310.330.071.042.520.340.150.201.222.330.211.450.130.721.281.381.450.93
UridineME9174990.010.530.042.230.520.272.030.290.651.260.171.662.752.511.621.760.040.903.100.450.182.280.570.300.461.072.530.670.100.861.052.370.270.510.230.380.330.060.842.660.310.120.161.222.930.281.370.100.761.381.411.520.94
4-AminobutanoateME9173350.000.340.021.380.380.211.800.240.490.910.111.093.422.852.252.440.051.124.170.510.182.620.550.280.531.032.980.750.080.710.922.180.190.330.150.260.250.050.742.340.300.120.171.282.760.191.230.070.801.391.361.460.96
N-AcetylmethionineME917498NA0.330.021.490.360.221.750.230.470.890.121.073.272.822.292.310.051.113.900.520.192.380.570.290.481.002.830.760.080.700.902.120.180.340.160.250.270.060.742.240.310.120.171.272.870.201.210.080.761.401.451.450.95
[FA trimethyl(13:2)] tridecadienoic acidME917491NA0.450.042.840.260.131.450.140.400.620.090.883.973.732.142.260.050.883.950.390.142.180.430.270.511.102.890.630.060.590.731.960.170.280.140.230.200.050.632.330.300.120.151.422.740.190.940.060.751.341.361.560.90
GMPME917465NA0.410.032.530.260.131.310.140.360.670.070.884.083.712.072.310.040.883.950.380.122.160.390.200.421.042.950.570.060.630.712.060.140.270.100.220.180.040.592.710.290.100.141.493.000.170.940.051.111.341.261.430.92
Cohibin AME917379NA0.38NA2.990.390.372.300.290.431.090.141.342.991.682.141.62NA0.862.610.470.111.270.410.250.430.901.890.63NA0.270.521.65NA0.170.100.110.400.200.933.650.500.110.321.952.360.090.48NA0.731.381.161.110.87
leu-FMDPME917130NA1.050.104.180.410.282.420.320.581.420.211.682.832.941.421.410.050.673.540.390.182.000.420.330.300.721.670.430.070.520.501.280.180.280.170.220.270.100.783.030.360.130.221.113.590.200.770.081.061.401.381.281.05

Factors:

F1Sample source:Combination_1h | raw file name:COM_1h_1
F2Sample source:Combination_1h | raw file name:COM_1h_2
F3Sample source:Combination_1h | raw file name:COM_1h_3
F4Sample source:Combination_1h | raw file name:COM_1h_4
F5Sample source:Combination_3h | raw file name:COM_3h_1
F6Sample source:Combination_3h | raw file name:COM_3h_2
F7Sample source:Combination_3h | raw file name:COM_3h_3
F8Sample source:Combination_3h | raw file name:COM_3h_4
F9Sample source:Combination_6h | raw file name:COM_6h_1
F10Sample source:Combination_6h | raw file name:COM_6h_2
F11Sample source:Combination_6h | raw file name:COM_6h_3
F12Sample source:Combination_6h | raw file name:COM_6h_4
F13Sample source:Control_1h | raw file name:Control_1h_1
F14Sample source:Control_1h | raw file name:Control_1h_2
F15Sample source:Control_1h | raw file name:Control_1h_3
F16Sample source:Control_1h | raw file name:Control_1h_4
F17Sample source:Control_3h | raw file name:Control_3h_1
F18Sample source:Control_3h | raw file name:Control_3h_2
F19Sample source:Control_3h | raw file name:Control_3h_3
F20Sample source:Control_3h | raw file name:Control_3h_4
F21Sample source:Control_6h | raw file name:Control_6h_1
F22Sample source:Control_6h | raw file name:Control_6h_2
F23Sample source:Control_6h | raw file name:Control_6h_3
F24Sample source:Control_6h | raw file name:Control_6h_4
F25Sample source:Leu10-teixobactin_1h | raw file name:TX_1h_1
F26Sample source:Leu10-teixobactin_1h | raw file name:TX_1h_2
F27Sample source:Leu10-teixobactin_1h | raw file name:TX_1h_3
F28Sample source:Leu10-teixobactin_1h | raw file name:TX_1h_4
F29Sample source:Leu10-teixobactin_3h | raw file name:TX_3h_1
F30Sample source:Leu10-teixobactin_3h | raw file name:TX_3h_2
F31Sample source:Leu10-teixobactin_3h | raw file name:TX_3h_3
F32Sample source:Leu10-teixobactin_3h | raw file name:TX_3h_4
F33Sample source:Leu10-teixobactin_6h | raw file name:TX_6h_1
F34Sample source:Leu10-teixobactin_6h | raw file name:TX_6h_2
F35Sample source:Leu10-teixobactin_6h | raw file name:TX_6h_3
F36Sample source:Leu10-teixobactin_6h | raw file name:TX_6h_4
F37Sample source:Polymyxin B_1h | raw file name:PMB_1h_1
F38Sample source:Polymyxin B_1h | raw file name:PMB_1h_2
F39Sample source:Polymyxin B_1h | raw file name:PMB_1h_3
F40Sample source:Polymyxin B_1h | raw file name:PMB_1h_4
F41Sample source:Polymyxin B_3h | raw file name:PMB_3h_1
F42Sample source:Polymyxin B_3h | raw file name:PMB_3h_2
F43Sample source:Polymyxin B_3h | raw file name:PMB_3h_3
F44Sample source:Polymyxin B_3h | raw file name:PMB_3h_4
F45Sample source:Polymyxin B_6h | raw file name:PMB_6h_1
F46Sample source:Polymyxin B_6h | raw file name:PMB_6h_2
F47Sample source:Polymyxin B_6h | raw file name:PMB_6h_3
F48Sample source:Polymyxin B_6h | raw file name:PMB_6h_4
F49Sample source:Pooled QC | raw file name:QC_1
F50Sample source:Pooled QC | raw file name:QC_2
F51Sample source:Pooled QC | raw file name:QC_3
F52Sample source:Pooled QC | raw file name:QC_4
F53Sample source:Pooled QC | raw file name:QC_5
Data matrix
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