Clustering data with hclust algorithm for (Study ST001794)

(Analysis AN002911)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21
AcetaminophenME4156211.000.000.250.240.190.150.130.100.120.090.070.050.000.050.000.0015.392.210.450.300.23
Gly-Leu-ArgME4157280.79NA0.03NA0.820.500.430.510.830.230.08NA0.200.290.270.2410.031.080.930.39NA
cis-4-Hydroxycyclohexanecarboxylic acidME4156741.000.570.490.492.091.860.800.330.340.070.180.060.08NA0.260.330.160.200.0710.360.29
1,4-Cyclohexanedicarboxylic acidME4155851.330.440.180.100.670.14NA0.110.080.150.100.370.250.230.067.284.551.321.210.300.15
N-MethylprolineME4158280.840.170.040.140.300.290.130.030.033.921.970.150.110.190.063.207.321.140.850.580.03
1-HexadecylamineME4155871.560.520.830.200.360.377.000.300.130.090.870.210.200.910.200.440.060.350.430.563.74
Thr-Ile-LysME4158900.89NA0.160.060.350.260.100.370.184.400.60NANA0.030.500.401.511.716.090.630.08
6-Aminopyridine-3-carboxamideME4156181.363.050.380.340.460.350.303.090.530.203.090.470.910.670.430.241.480.310.381.470.41
DexpanthenolME4156851.070.390.130.170.460.350.333.551.820.123.680.740.461.050.310.121.530.271.022.340.88
Gln-Leu-ArgME4157031.070.050.160.04NANA0.060.430.543.121.221.650.670.563.420.122.751.120.860.740.19
PhenylacetaldehydeME4158422.350.09NA0.130.310.310.30NA0.152.081.77NANA0.11NA0.421.710.710.270.23NA
Disaccharide8ME4156910.700.010.482.063.622.700.410.160.122.964.341.120.001.31NA0.030.070.070.060.310.35
Ile-Pro-IleME4157631.760.020.380.783.711.750.450.180.130.734.870.020.060.860.200.480.270.211.040.660.17
HistamineME4157500.860.430.200.520.820.960.830.731.793.523.871.000.492.950.220.460.380.300.430.410.22
N-AcetylhistamineME4158150.16NANA0.260.801.151.510.650.562.182.73NANA2.54NANANANANA0.13NA
Disaccharide7ME4156900.812.370.410.890.230.160.140.120.133.524.091.700.881.48NA0.400.900.820.690.450.40
Trisaccharide3ME4158981.250.191.392.960.520.440.450.290.232.213.531.540.090.89NA0.220.270.350.390.911.15
Glu-ProME4157141.08NA0.260.573.682.780.531.151.033.720.830.11NA0.720.060.470.200.180.840.430.11
Pyroglutamic acidME4158611.110.090.480.574.212.320.460.480.495.580.550.190.110.630.410.620.430.250.640.730.32
Asp-GluME4156630.83NA0.710.293.372.440.391.030.684.650.280.090.090.540.270.930.510.430.901.410.67
Ala-Pro-LysME4156330.76NA0.700.742.962.391.260.411.064.360.530.290.080.480.920.960.320.320.740.930.49
alpha-L-Asp-L-LysME4156370.990.320.280.372.612.150.540.680.494.960.660.200.440.571.180.790.640.571.141.170.28
Glutamic acidME4157161.040.120.410.383.331.810.330.450.487.580.630.200.120.670.260.540.590.270.710.680.28
Pro-AsnME4158500.88NA0.040.351.781.130.200.110.148.262.140.02NA0.250.650.940.700.270.860.630.02
Pro-Pro-LysME4158570.73NA0.020.322.281.310.27NA0.088.942.03NA0.010.090.040.10NA0.020.240.33NA
Galacto/Lacto-N-bioseME4156940.35NA0.050.17NANANA0.010.025.216.111.880.022.06NANA0.010.01NA0.010.04
CadaverineME4156700.830.540.110.320.420.400.320.210.367.256.090.990.621.880.150.160.160.200.220.200.10
Lacto-N-triaoseME4157720.48NA0.060.400.610.450.01NANA5.185.380.87NA0.990.07NANANANA0.020.02
Disaccharide6ME4156890.870.000.030.280.290.110.030.000.006.785.880.45NA0.48NANANANANA0.160.01
PhenylacetylglycineME4158430.78NA0.120.480.550.570.490.190.136.334.840.26NA0.52NA0.04NANANA0.300.07
Disaccharide5ME4156881.010.070.120.533.101.050.150.070.066.926.050.480.040.480.010.100.340.040.030.240.10
CarnitineME4156721.010.270.240.461.221.060.480.160.176.284.340.210.430.191.950.640.360.200.240.920.13
3-HydroxybutyrylcarnitineME4156011.120.490.170.621.591.110.550.140.396.663.890.140.630.390.430.36NA0.060.060.810.03
AcetylcarnitineME4156220.940.140.370.811.470.890.500.400.467.014.250.270.230.390.870.480.250.110.150.920.25
PropionylcarnitineME4158550.910.240.090.361.380.980.350.080.097.985.210.150.380.201.030.450.330.100.180.770.04
alpha-Galactosamine-1-phosphateME4156361.09NA0.280.580.770.540.270.110.328.474.660.09NA0.260.030.200.030.070.250.670.06
Pro-Ile-LysME4158510.95NA0.030.000.940.490.080.010.028.354.900.05NA0.010.340.650.270.331.250.420.04
AcetylcholineME4156231.041.140.290.541.621.220.610.440.375.182.820.261.470.350.740.520.440.190.221.180.27
Indole-3-carboxylic acidME4157670.63NA0.210.991.361.140.220.070.094.254.141.27NA1.230.03NANANANA0.290.21
N-Methylanthranilic acidME4158240.71NA0.310.602.070.411.391.360.484.834.440.670.080.430.140.230.34NANA0.030.37
N-Acetyl-D-lactosamineME4158140.890.020.170.410.080.080.090.050.116.588.991.010.132.290.030.090.020.040.050.110.09
Isovaleryl-L-carnitineME4157710.840.140.040.350.420.240.120.070.059.947.600.370.130.240.320.130.110.040.060.260.04
(R)-ButyrylcarnitineME4155830.850.110.160.660.850.520.160.080.128.666.990.570.140.520.290.180.100.040.070.270.09
Leu-Leu-LysME4157770.681.39NANA0.07NANANA0.09NANANA3.97NA0.480.074.740.250.050.14NA
AdenosineME4156240.325.600.300.17NA0.140.260.24NA0.080.10NA2.810.330.370.924.480.741.820.121.22
2-Amino-3-methoxybenzoic acidME4155930.285.12NA0.870.811.510.380.360.290.13NANA3.88NANA0.301.86NANA0.040.32
Heptadecasphing-4-enineME4157390.934.640.270.420.500.380.530.450.680.991.440.653.310.600.140.381.791.461.110.340.21
ImidazoleME4157660.864.460.270.300.650.730.570.470.460.330.730.533.730.640.260.491.901.240.901.190.72
4-HydroxynonenalME4156100.780.632.990.500.730.600.660.610.330.331.180.470.426.850.620.370.551.100.810.690.44
CorticosteroneME4156770.70NA0.600.690.620.62NA0.74NANANA4.090.313.020.69NANA0.480.32NANA
glycerophosphocholineME4157231.230.010.350.301.370.960.230.070.122.221.210.030.050.098.111.750.920.270.440.490.08
Met-PheME4158060.74NA0.470.491.340.900.531.260.970.110.070.07NA0.238.381.720.260.090.491.090.57
LithocholylglycineME4157850.81NA2.912.020.980.350.250.330.131.020.10NANA0.006.011.540.120.090.271.500.11
Arg-TrpME4156501.05NA2.420.810.510.490.530.541.021.121.470.380.080.223.601.830.530.350.501.410.99
Hexanoyl-L-carnitineME4157400.990.160.080.211.851.250.780.500.542.471.510.110.240.245.811.120.850.200.201.790.15
OctanoylcarnitineME4158320.910.030.811.101.611.250.750.720.842.161.010.180.090.334.461.690.980.320.441.130.45
5-MethylcytidineME4156151.52NA0.080.772.151.760.260.190.25NANANANANA0.171.170.190.933.210.670.10
Asp-ArgME4156620.74NA0.150.263.002.370.480.430.420.280.060.040.060.150.991.401.571.923.293.010.17
CytidineME4156830.980.060.360.302.842.060.540.660.810.120.070.070.050.100.912.951.251.574.091.070.21
Glu-Ile-LysME4157110.970.060.04NA1.610.931.201.222.190.640.12NA0.120.130.070.351.401.016.290.670.04
1-MethyladenosineME4155880.990.010.941.231.111.540.981.011.270.140.130.120.030.420.080.571.132.384.691.540.72
3^-O-MethylcytidineME4156040.92NA0.190.541.842.260.860.420.770.050.02NA0.020.29NA0.311.152.484.990.760.35
4,6-Diamino-5-formamidopyrimidineME4156060.96NANANA1.411.520.820.360.350.110.20NANANANA0.382.582.302.080.950.10
Pro-ArgME4158491.87NA0.130.401.600.961.810.661.320.240.400.050.250.190.210.171.402.153.230.280.08
Trisaccharide4ME4158991.200.110.341.170.270.410.680.520.331.061.010.010.020.03NA1.122.873.192.991.840.22
N2-MethylguanosineME4158110.52NANA0.150.660.780.14NA0.14NANANANA0.47NA0.982.092.134.660.71NA
SyringaldehydeME4158830.30NANA0.080.110.14NA0.10NANANANANANANA0.992.952.873.681.850.05
3-Amino-3-(4-hydroxyphenyl)propionic acidME4155970.37NA0.110.210.010.130.320.220.26NA0.02NANA0.02NA2.616.862.733.840.140.04
N-MethylleucineME4158270.75NANA0.050.630.650.150.060.07NANANANANA0.142.094.362.323.120.300.05
InosineME4157681.410.010.140.041.290.930.300.940.270.120.101.070.011.921.091.513.500.942.141.530.53
Tyr-ArgME4159050.880.040.950.451.561.630.921.631.720.550.271.310.200.490.810.883.331.010.901.290.53
Gln-ArgME4156981.24NA0.030.091.691.120.860.890.661.74NA0.44NA0.260.100.374.080.781.160.76NA
Phe-LysME4158411.670.020.330.501.481.150.681.030.820.390.120.710.330.700.480.934.100.771.311.350.12
Ser-Leu-ArgME4158751.63NA0.060.140.880.800.521.350.930.17NANA0.37NA0.050.633.950.521.711.240.13
Phe-ArgME4158381.310.100.360.291.760.510.300.780.510.280.330.280.590.150.860.585.292.192.330.820.41
Arg-LeuME4156461.080.170.770.371.040.780.610.700.730.690.330.130.300.241.561.673.171.102.552.220.57
Arg-PheME4156481.040.130.740.501.110.790.581.311.210.450.240.380.250.311.020.844.351.271.771.990.61
Leu-ArgME4157731.280.030.590.300.560.500.320.600.480.620.730.210.350.230.601.544.451.722.381.900.75
4-AminophenolME4156081.100.010.641.161.681.871.571.301.530.180.130.060.030.120.261.045.720.890.280.570.53
Ala-Leu-LysME4156291.750.310.200.140.781.020.140.620.590.350.57NA0.86NA1.490.226.710.040.220.620.11
Nicotinic acidME4158231.052.280.510.601.401.090.460.380.470.710.180.230.712.690.221.141.550.220.364.310.30
TrigonellineME4158961.071.950.340.923.272.881.010.380.190.290.080.041.190.060.480.520.280.070.065.450.26
gamma-GlutamylleucineME4156961.160.130.170.617.300.520.540.100.181.240.590.170.130.600.891.210.180.562.541.150.57
Phe-ProME4158471.070.010.160.7810.224.460.650.270.311.080.590.030.010.100.160.190.030.050.240.340.05
Gln-ProME4157040.63NA0.070.7411.035.790.710.180.150.200.060.00NA0.030.020.120.020.040.090.230.01
Pro-ProME4158560.720.030.150.8810.385.510.530.320.850.940.450.030.040.310.050.160.030.030.140.280.02
PyroGlu-ProME4158600.71NA0.090.7510.315.350.720.230.220.660.150.01NA0.070.010.120.030.040.170.220.00
Tyr-ProME4159090.89NA0.130.647.383.310.430.240.521.640.70NANA0.090.180.50NA0.020.390.250.02
Leu-GlnME4157740.850.140.550.738.013.150.720.830.800.580.220.200.150.360.550.690.430.281.080.810.32
Ile-HisME4157600.90NA0.530.507.683.550.540.450.510.800.340.060.020.221.471.170.100.090.380.740.26
Val-MetME4159170.72NA0.800.918.273.530.310.540.790.840.080.02NA0.160.810.780.050.010.200.830.20
Gln-GlnME4156991.250.000.301.138.125.061.040.520.280.560.070.020.020.090.130.410.120.100.230.680.11
His-SerME4157490.77NA0.380.597.544.700.660.610.730.420.240.020.010.160.541.180.230.170.730.760.25
His-LysME4157460.11NA0.080.088.805.350.280.380.370.930.070.06NANANA0.44NA0.070.070.510.17
Gln-HisME4157020.41NA0.320.659.044.840.530.530.690.280.100.02NA0.080.550.990.550.160.370.540.10
His-AsnME4157420.70NA0.130.479.545.120.560.550.490.230.180.020.000.080.680.860.150.080.410.340.29
His-GlnME4157430.60NA0.160.387.143.490.390.310.270.470.080.01NA0.050.271.822.940.460.790.460.12
Gly-ArgME4157211.08NA0.250.204.842.391.030.841.190.450.250.140.120.260.170.641.771.082.180.790.10
N-Methylglutamic acidME4158251.060.430.060.424.923.260.810.410.300.190.230.270.200.120.051.323.201.391.430.740.02
2-alpha-MannobioseME4155920.49NA0.230.914.767.522.331.160.960.840.730.030.070.090.420.040.190.120.200.210.22
N-Carboxyethyl-.gamma.-aminobutyric acidME4158190.30NA0.170.796.328.031.620.730.550.010.00NANA0.00NA0.060.070.040.090.210.12
(4-Aminobutyl)guanidineME4155820.860.240.100.635.805.832.960.410.50NANA0.030.200.220.080.360.200.210.330.340.09
N-MethylisoleucineME4158260.700.050.191.545.315.532.540.740.540.500.020.960.540.04NA0.020.610.020.020.780.26
PyroGlu-MetME4158590.600.070.371.766.295.360.860.840.790.02NANA0.07NANA0.160.060.100.170.470.22
Leu-ProME4157800.820.000.320.737.205.721.871.031.010.380.130.020.010.090.150.360.270.260.450.510.20
Lys-ProME4157960.860.040.300.666.825.481.190.931.370.610.190.050.050.430.270.480.090.160.770.540.14
His-Pro-LysME4157480.14NA0.170.425.085.441.670.800.970.41NANANANA1.200.740.160.070.080.290.08
His-GluME4157440.87NA0.300.275.934.760.560.810.420.520.030.230.030.430.880.970.740.330.941.020.35
His-ThrME4157510.72NA0.650.865.465.231.360.850.780.400.130.110.020.360.270.800.160.260.771.080.57
Gly-Pro-ArgME4157320.84NA0.100.495.004.050.960.130.180.650.170.010.220.014.570.940.560.270.610.670.05
Ala-ProME4156320.92NA0.480.514.962.800.541.040.910.510.240.03NA0.223.740.840.040.070.550.590.27
Asn-Pro-LysME4156580.64NA0.700.824.783.530.830.510.860.760.28NANA0.022.950.780.040.010.121.070.37
Gln-GluME4157000.700.000.430.555.324.510.690.600.621.730.220.070.050.160.912.030.950.400.880.730.35
Pantothenic acidME4158350.860.040.570.815.433.420.580.280.362.700.790.050.030.390.990.720.670.220.381.800.32
Ile-ProME4157610.90NA0.450.696.232.980.430.470.572.200.920.210.030.421.270.830.050.120.460.800.30
Val-GluME4159140.860.010.830.766.203.560.490.651.031.990.390.140.060.550.760.920.190.140.511.030.36
Betaine or valineME4156691.280.140.450.716.332.940.970.640.460.880.400.330.180.380.490.340.440.210.221.900.49
ProlineME4158521.760.250.390.745.403.250.400.680.310.930.180.160.200.960.250.460.640.070.330.990.36
Ser-Pro-LysME4158770.71NA0.861.075.763.241.080.411.680.780.210.000.030.041.191.570.150.070.171.550.29
Val-GlnME4159130.87NA0.640.605.673.290.741.051.270.170.090.060.030.210.491.560.550.110.282.290.39
Gly-ThrME4157350.87NA1.000.715.912.790.600.591.020.540.480.080.010.361.891.470.130.120.440.870.54
Gly-valME4157361.030.010.960.795.503.040.590.871.130.290.210.120.050.561.821.250.140.130.521.290.61
Glu-ValME4157190.83NA0.690.645.683.120.510.740.931.260.300.140.060.411.771.100.120.150.421.070.57
Ser-GlnME4158701.120.020.740.715.362.360.600.620.741.170.320.250.100.371.871.360.480.310.631.050.45
Thr-Gly-ThrME4158880.88NA0.500.575.102.830.471.541.110.160.23NANA0.350.821.050.120.130.741.220.54
Thr-ThrME4158920.940.031.010.895.102.940.811.221.610.570.470.110.060.550.741.430.350.160.501.120.55
His-AlaME4157411.000.010.480.635.523.880.930.820.731.090.290.180.070.231.031.300.330.300.751.100.37
HistidineME4157520.890.040.891.184.813.440.840.881.171.230.340.090.090.311.111.390.220.150.501.240.52
Ser-HisME4158720.75NA0.630.754.923.530.680.940.930.470.150.09NA0.280.851.890.220.270.711.180.51
Gly-Pro-LysME4157330.76NA0.360.606.203.461.010.310.370.670.22NA0.010.090.881.080.330.451.910.860.15
Trp-ProME4159031.08NA0.350.477.002.830.660.400.520.020.04NANA0.251.050.930.270.460.950.380.08
Gly-HisME4157260.70NA0.680.887.003.970.670.701.010.240.140.020.010.141.721.240.070.040.271.060.36
Lys-ThrME4157970.64NA0.610.946.763.920.900.571.360.790.400.030.020.080.981.140.240.080.251.080.30
Gln-ThrME4157060.93NA0.450.665.953.060.660.940.750.980.380.050.000.210.551.121.000.250.881.130.26
Leu-GluME4157750.790.080.650.516.403.470.620.760.830.880.330.470.120.570.831.120.370.260.881.200.49
MethionineME4158030.92NA0.840.726.123.280.310.560.671.070.260.070.020.421.121.150.220.180.721.170.41
Ala-GlnME4156260.87NA0.780.896.093.290.701.131.020.790.270.140.010.310.461.070.320.170.401.260.42
Phe-GlnME4158390.75NA0.980.896.193.640.590.670.950.460.400.20NA0.340.521.000.120.120.640.900.38
Arg-ProME4156491.030.010.581.066.083.951.191.281.520.460.230.030.030.260.360.470.210.330.690.880.28
GlutamineME4157171.040.030.761.246.733.820.930.800.880.390.200.110.080.430.290.710.130.200.651.040.43
Asn-ProME4156571.11NA0.280.516.023.820.690.861.020.670.320.03NA0.270.370.810.090.181.050.490.10
Pro-LysME4158540.910.010.360.896.274.180.890.701.231.500.430.050.010.460.420.480.320.360.940.720.14
GalactinolME4156930.60NA0.330.923.243.781.650.910.671.431.450.18NA0.04NA0.370.810.780.980.900.19
N-Acetylneuraminic acidME4158160.710.030.331.474.885.100.830.550.731.230.830.100.100.40NA0.170.380.631.181.010.21
Oleoyl-L-carnitineME4158330.73NA2.093.102.021.680.582.924.040.540.220.01NA0.230.220.310.120.030.120.170.69
9-Oxo-10E,12Z-octadecadienoic acidME4156201.350.020.683.000.891.441.201.010.330.040.040.060.050.092.771.450.150.210.433.241.48
Tyr-TyrME4159100.89NA1.520.880.710.780.911.441.940.630.97NANA0.360.804.060.24NA0.190.380.53
Leu-ValME4157821.350.050.630.460.760.550.650.970.811.040.741.280.221.662.361.280.450.521.771.550.84
3-Cyclohexyl-1,1-dimethylureaME4155990.960.531.860.570.621.180.501.251.031.080.501.340.673.210.700.500.750.951.720.460.72
CyclohexanamineME4156811.021.001.720.440.671.170.811.110.860.890.581.610.992.720.510.460.710.931.580.580.59
gamma-aminobutyric acidME4156951.551.340.680.571.380.960.660.430.240.480.590.420.850.480.881.593.300.890.611.050.41
Disaccharide1ME4156861.491.260.901.740.530.850.720.260.14NA0.05NA0.13NANA1.681.880.471.241.630.56
Disaccharide4ME4156871.712.000.821.490.620.640.580.230.420.030.060.011.960.080.631.621.641.560.551.580.64
GuanineME4157371.471.490.680.372.381.880.531.850.910.110.060.031.891.720.010.091.520.100.361.031.14
OrnithineME4158341.171.730.140.392.591.600.561.740.481.031.740.251.880.921.800.530.630.150.390.640.13
PutrescineME4158581.281.730.321.041.381.230.980.411.060.571.120.391.961.600.450.790.860.980.970.780.25
Urocanic acidME4159111.032.060.440.761.632.151.271.550.680.681.620.430.871.030.310.420.940.450.691.280.59
CaffeineME4156710.981.790.960.991.321.521.171.231.300.850.810.591.020.660.750.890.590.600.581.730.73
Cyclo(Leu-Pro)ME4156800.922.160.820.940.851.180.690.921.051.041.170.861.461.040.750.710.910.840.751.440.74
3-AminophenolME4155980.593.181.310.990.911.040.491.211.000.240.280.221.340.700.020.021.331.822.241.981.34
5,6-DihydrouracilME4156131.072.040.630.921.051.890.760.581.310.730.390.681.100.240.620.380.250.650.713.411.41
NicotinamideME4158221.051.942.200.810.690.670.290.580.570.290.190.231.550.521.121.580.930.640.742.711.58
TetrasaccharideME4158840.910.011.142.701.121.353.432.281.64NANANA0.00NANA0.140.020.040.030.700.79
Trisaccharide1ME4158971.870.231.771.920.861.152.112.191.950.040.000.010.080.010.000.510.250.170.141.301.86
4-Guanidinobutyric acidME4156091.01NA1.151.281.791.051.310.230.19NA0.92NANA0.87NANANANANA1.19NA
L-HistidinolME4157841.74NA0.212.122.502.040.740.390.290.070.06NANANANANANANA0.150.390.07
MethylglycinateME4158050.800.290.402.181.852.841.891.591.550.130.110.091.890.130.351.350.210.761.421.550.21
PhenylethanolamineME4158460.840.220.862.133.133.783.541.791.420.060.060.070.170.060.030.430.090.080.071.651.01
ConiferylaldehydeME4156760.850.130.732.962.983.162.212.221.910.11NANA0.110.140.210.600.100.220.170.290.34
PyroGlu-TrpME4158620.88NA0.351.842.162.392.662.611.770.030.32NANA0.510.070.130.110.190.341.140.87
4-MethylumbelliferoneME4156120.97NA0.350.931.232.013.211.211.820.32NA0.280.27NANA0.24NANANA0.840.39
N-AcetyltryptophanME4158170.940.010.461.691.992.532.801.000.850.02NANANANA0.080.370.04NANA1.790.64
N-MethyltyrosineME4158290.27NA0.951.402.392.671.681.351.02NANA0.04NANANA0.16NANANA1.081.19
Salicylic acid ethyl esterME4158660.30NA0.541.052.562.991.601.280.98NANANANANANA0.46NANANA0.850.50
Ile-Asn-LysME4157590.85NA0.140.152.923.350.821.711.280.140.12NANANANANA2.300.120.230.32NA
5-MethylcytosineME4156161.28NA0.090.504.393.921.092.091.220.02NANANA0.120.010.030.080.100.670.340.20
MonoelaidinME4158080.61NA0.101.273.233.561.751.682.200.05NANANANANANA0.090.040.310.220.04
S-Adenosyl-homocysteineME4158640.48NA0.221.123.013.951.800.780.92NANANANANANANANA0.09NA0.080.10
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamineME4155910.84NA1.100.751.681.400.450.270.230.640.100.11NA0.173.701.891.750.771.202.080.37
Leu-Leu-ArgME4157761.15NA0.05NA1.670.800.541.201.610.080.03NA0.770.062.360.712.690.811.911.070.07
Ile-Ala-LysME4157561.31NA0.08NA2.100.750.190.721.23NANANA0.11NA2.910.622.180.050.111.450.25
Ser-Ile-LysME4158730.60NA0.440.342.831.860.690.841.340.04NA0.020.03NA2.951.243.250.220.631.540.36
Gly-Leu-LysME4157291.04NA0.530.692.842.320.630.411.030.16NANANANA0.511.282.440.320.481.090.11
Met-ArgME4158010.73NA0.660.323.783.180.090.590.780.060.10NANANA0.621.123.090.490.541.560.12
Ala-Ile-LysME4156280.88NA0.560.832.662.270.410.520.960.891.06NA0.17NA1.721.162.130.340.760.910.13
Met-GlyME4158020.54NA0.860.843.151.890.430.390.950.250.06NANANA0.992.461.880.961.051.330.33
Ser-ArgME4158670.890.000.540.763.162.320.880.751.280.620.270.070.130.111.231.623.070.951.271.160.26
TyrosineME4159080.820.080.780.972.902.230.890.730.870.350.260.110.120.331.131.452.841.271.561.300.55
Leu-LysME4157781.96NA0.360.421.861.110.640.600.681.060.580.640.130.560.860.911.200.561.421.350.23
Tyr-GlnME4159071.12NA0.590.551.901.440.591.190.931.160.270.25NA0.330.372.381.530.591.171.680.62
Asn-GlnME4156551.19NA0.630.682.101.540.560.920.831.450.500.110.070.381.061.940.930.662.251.080.53
Arg-ValME4156511.320.030.760.562.081.470.810.841.000.810.310.060.170.221.101.861.250.831.722.280.58
Lys-IleME4157911.26NA0.640.531.801.330.710.590.980.650.420.070.070.292.002.210.960.711.731.930.34
Ile-ArgME4157571.47NA0.400.572.211.041.170.641.190.270.250.480.170.580.221.092.180.982.281.230.17
Val-ArgME4159121.26NA0.340.412.761.710.950.940.840.860.500.360.310.410.350.591.991.162.121.030.30
Arg-AlaME4156411.260.100.350.362.261.610.760.821.290.931.030.090.430.120.490.993.071.221.671.060.35
Gly-Ile-LysME4157271.080.190.550.782.421.620.890.751.520.810.58NA0.410.071.090.912.380.612.080.920.11
Arg-GlnME4156431.35NA0.310.322.181.470.460.750.360.950.380.24NA0.070.092.062.171.072.321.170.21
Asn-ArgME4156531.35NA0.230.241.621.010.700.921.032.111.020.120.120.030.171.392.031.342.161.080.27
4-Acetamidobutyric acidME4156070.990.200.881.543.032.881.470.870.840.760.600.300.170.600.350.810.260.460.642.550.83
CytosineME4156841.240.000.470.563.933.151.182.311.380.140.160.030.010.570.020.280.110.110.862.441.34
Lys-MetME4157940.69NA0.870.873.921.660.490.641.510.450.03NANA0.111.033.290.180.070.432.460.23
CitrullineME4156750.760.100.380.422.782.971.010.560.722.660.940.070.230.510.551.202.210.611.421.460.14
Gln-SerME4157050.890.010.860.923.322.340.720.621.003.320.620.500.030.291.031.540.630.420.870.960.43
Lys-GluME4157900.840.010.460.503.393.360.570.670.842.950.380.200.030.411.141.611.010.611.011.100.36
Asn-AlaME4156520.91NA0.500.573.871.950.710.641.061.571.260.160.090.202.341.440.600.270.791.020.33
CreatineME4156781.110.120.501.063.332.580.870.950.711.790.820.370.220.801.110.830.530.260.391.560.77
Glu-SerME4157151.07NA0.670.602.872.020.550.840.792.150.500.260.170.762.021.330.270.280.871.130.66
Ser-GluME4158711.00NA0.860.672.861.790.370.680.662.820.760.480.140.771.841.290.520.270.621.010.58
Gln-ValME4157080.84NA0.940.654.192.241.000.871.770.190.190.080.100.242.771.590.150.150.631.350.54
Ser-LysME4158760.83NA0.660.593.461.980.810.791.081.070.310.090.120.183.681.460.460.370.881.310.39
Asn-GlyME4156561.160.020.680.632.741.980.650.970.920.410.260.190.090.613.122.110.180.391.071.560.77
Asn-SerME4156590.87NA0.930.753.431.980.830.861.360.580.300.100.130.312.801.370.210.341.261.290.71
Asp-LeuME4156650.930.061.201.023.312.310.670.730.940.530.360.340.140.562.971.780.250.180.601.490.86
Asp-pheME4156660.98NA0.980.853.372.360.621.120.890.350.360.170.110.422.831.780.170.150.481.180.90
StercobilinME4158820.73NA1.531.652.342.110.700.951.680.550.320.13NA0.293.620.810.170.230.411.130.48
Trp-LeuME4159020.960.000.920.903.221.691.091.141.940.270.190.130.040.313.361.590.060.160.521.790.88
Val-PheME4159180.940.011.431.032.731.660.741.111.440.420.290.140.030.353.941.380.230.150.611.720.82
His-TyrME4157541.020.011.561.251.481.060.961.461.970.960.740.200.050.502.181.870.250.260.491.601.04
Lys-TyrME4157990.78NA1.791.271.350.990.961.291.890.850.500.400.140.412.091.780.390.310.491.861.14
His-PheME4157470.81NA0.820.583.270.980.781.022.050.440.330.18NA0.391.481.640.490.340.822.260.89
Asn-ValME4156610.860.281.271.173.091.880.960.811.600.540.450.310.310.401.502.050.440.350.611.750.77
Thr-PheME4158911.020.061.130.882.631.870.741.171.430.810.680.470.210.511.322.560.420.170.631.610.62
His-LeuME4157450.910.021.151.253.001.791.031.192.200.770.470.050.100.141.912.110.250.130.421.850.55
Phe-TrpME4158480.990.061.441.792.632.151.070.921.550.390.570.040.090.251.632.270.040.090.521.930.61
Thr-TyrME4158930.91NA1.011.582.821.711.041.211.940.460.340.040.030.481.502.050.110.170.871.430.58
Tyr-AsnME4159060.92NA1.231.122.551.830.861.041.810.210.280.02NA0.231.372.330.170.170.631.880.60
Ile-TyrME4157650.98NA1.801.051.931.730.991.221.640.520.450.130.050.532.421.460.040.250.821.100.98
Leu-TyrME4157810.90NA1.250.612.141.480.990.951.671.040.740.04NA0.052.161.910.250.120.551.560.90
Met-TrpME4158070.82NA1.151.552.082.120.860.911.480.500.770.08NA0.312.241.710.010.160.511.700.57
Gly-AsnME4157220.94NA1.491.102.671.660.700.751.580.520.380.09NA0.442.071.760.080.230.641.280.78
TryptophanME4159041.150.011.200.912.621.890.700.911.460.580.500.200.120.642.121.700.230.260.691.860.80
Leu-PheME4157791.010.060.971.102.411.710.981.251.290.440.450.130.140.481.931.350.680.442.021.400.71
Val-LysME4159161.04NA0.910.952.041.591.050.971.340.870.560.300.200.552.001.580.640.501.001.350.44
Ala-ThrME4156340.96NA1.030.953.032.290.711.091.140.830.400.550.060.761.281.560.440.270.691.500.59
Ser-ValME4158801.01NA1.210.883.181.870.811.081.360.620.310.260.060.581.281.740.310.301.061.350.69
ArginineME4156451.010.021.131.112.711.990.951.101.160.820.490.390.190.611.401.380.830.580.921.330.85
LysineME4157921.030.011.221.062.621.850.770.971.241.270.630.350.080.761.751.310.320.420.921.540.79
Gln-AlaME4156971.080.030.760.663.691.950.941.001.301.230.390.470.100.521.621.520.630.290.521.380.68
Glu-ThrME4157180.91NA0.930.813.092.280.500.870.921.230.310.270.080.672.081.840.540.290.771.300.57
Gly-PheME4157311.11NA0.960.813.081.760.620.670.900.330.35NA0.150.362.202.340.380.140.761.230.52
Arg-AsnME4156421.04NA0.600.513.312.410.660.881.220.590.230.020.090.052.051.950.740.520.881.580.55
Lys-LeuME4157931.040.050.890.642.911.710.890.871.420.710.420.210.100.272.251.680.850.500.991.760.73
1-MethylnicotinamideME4155890.970.261.481.521.841.951.501.221.580.500.410.320.400.570.801.440.510.540.871.431.00
Arg-MetME4156470.82NA0.940.762.341.600.431.641.500.460.15NANANA0.892.070.830.250.711.710.48
His-ValME4157551.01NA1.361.072.411.900.891.611.870.330.190.130.030.560.811.760.180.200.572.041.03
Gln-TyrME4157071.01NA1.060.981.991.490.951.632.020.730.420.080.010.241.501.680.200.371.041.980.59
Lys-PheME4157951.180.041.210.822.111.420.901.141.880.870.370.380.100.371.181.650.750.360.762.170.83
Arg-GlyME4156440.960.110.200.223.752.620.740.730.620.340.190.020.310.201.691.831.801.212.241.130.21
Ile-Pro-ArgME4157621.070.030.570.594.492.230.690.330.880.440.150.020.200.092.362.220.490.591.431.460.47
Ser-AsnME4158680.97NA0.870.613.721.990.590.780.950.440.260.130.040.491.611.520.460.902.040.970.74
Glu-Val-LysME4157200.790.160.811.053.543.870.831.211.460.680.200.010.560.251.780.511.160.300.721.100.65
Asp-HisME4156640.81NA0.480.424.523.790.530.930.550.18NANANA0.201.070.710.110.530.930.920.89
Trp-GlyME4159011.10NA0.550.384.462.620.521.020.720.09NA0.26NA0.720.391.28NANA0.330.830.43
CystineME4156821.380.440.621.084.313.390.771.061.011.280.490.180.111.610.550.350.030.020.150.690.34
N-epsilon-AcetyllysineME4158211.000.050.470.474.333.410.520.380.521.350.38NA0.170.691.580.520.830.461.151.260.44
Glu-AlaME4157090.830.340.630.494.853.350.551.010.721.460.240.220.420.571.301.190.440.250.811.180.68
GlycineME4157241.140.130.540.844.462.910.640.590.691.510.860.240.341.051.100.790.350.290.571.110.43
SerineME4158741.230.050.670.684.932.860.500.670.821.310.630.210.120.870.940.950.530.240.710.900.50
Thr-ArgME4158860.95NA0.400.684.432.651.421.051.621.060.940.070.130.180.280.990.770.330.641.290.26
Glu-LeuME4157120.910.081.790.653.392.211.451.560.691.220.410.370.130.571.751.250.200.180.471.240.76
Ser-AspME4158690.96NA1.070.673.572.170.560.721.300.430.06NANA0.660.631.580.590.261.141.000.77
Gly-LysME4157301.00NA0.450.514.212.670.650.840.990.700.260.160.030.540.811.360.820.611.511.510.37
Lys-GlnME4157890.93NA0.430.514.002.790.621.110.961.150.190.040.020.090.841.611.260.881.121.400.28
Lys-AsnME4157880.88NA0.680.953.922.490.990.761.560.790.200.030.040.111.321.830.640.441.031.440.28
Thr-AlaME4158850.93NA0.800.754.022.630.671.471.330.270.140.160.060.591.221.330.660.180.481.850.66
Lys-AlaME4157871.110.400.590.823.353.100.901.161.120.490.150.080.610.220.811.460.920.480.871.490.54
Ala-LysME4156301.080.080.530.813.982.440.931.141.290.660.510.110.600.220.741.420.900.470.851.450.53
Lys-ValME4158001.160.030.780.654.032.691.041.191.670.610.180.080.120.280.691.250.710.360.701.640.66
Phe-AlaME4158370.79NA0.951.843.902.790.901.051.390.520.340.320.090.421.291.350.120.170.481.410.48
Thr-HisME4158891.12NA0.661.063.482.630.651.111.041.060.300.030.020.292.351.140.070.110.561.490.48
Val-HisME4159151.06NA0.920.733.862.520.651.390.990.520.090.12NA0.401.990.950.190.120.511.240.59
Ala-AsnME4156250.86NA1.121.204.012.930.730.831.100.250.140.120.010.292.141.730.140.170.541.350.76
Asn-AsnME4156541.07NA1.111.163.702.370.830.821.380.380.230.050.040.491.821.750.070.200.711.150.47
CarnosineME4156731.000.001.001.234.072.491.031.031.760.630.200.110.030.341.691.780.120.110.371.490.52
Glu-IleME4157100.840.051.061.274.232.780.860.931.460.600.310.220.080.561.641.610.180.170.531.400.71
Asn-ThrME4156600.920.041.000.793.872.480.700.961.430.980.300.140.070.402.171.650.290.240.681.440.67
Ile-AsnME4157580.98NA0.951.053.922.540.680.901.530.570.360.06NA0.351.301.250.330.180.631.040.44
NorleucineME4158301.070.011.201.003.952.410.650.931.240.580.300.200.090.631.691.400.250.240.771.430.77
PhenylalanineME4158451.080.021.101.013.672.220.650.801.170.610.400.190.180.501.831.530.410.290.941.540.63
Ala-IleME4156270.950.051.021.043.972.610.841.031.080.650.400.360.150.531.491.280.340.290.891.520.64
AlanineME4156311.120.070.900.894.222.550.640.811.010.700.400.270.160.711.511.270.460.270.721.260.69
IsoleucineME4157691.160.010.870.804.732.550.600.650.950.710.280.090.060.472.051.520.140.210.851.250.58
Ser-SerME4158781.10NA0.720.584.532.180.560.930.980.580.290.240.110.671.821.290.240.320.821.110.65
Asp-ValME4156680.850.270.960.834.603.030.671.021.150.360.370.290.320.531.511.490.290.280.471.410.74
Glu-PheME4157130.89NA0.740.574.382.640.641.340.900.450.190.380.190.741.371.290.310.250.961.320.76
Ser-ThrME4158790.96NA0.880.704.422.630.611.171.280.730.300.200.060.561.321.310.210.200.731.220.62
Thr-GlnME4158870.92NA1.031.054.012.620.781.221.831.330.250.10NA0.290.711.110.110.120.311.040.42
MethioninesulfoxideME4158041.290.020.830.993.853.311.051.081.070.520.350.230.080.681.230.790.110.140.421.170.93
Ala-TrpME4156350.71NA1.241.143.582.930.971.571.650.490.350.55NA0.670.651.200.020.110.331.090.63
Asp-SerME4156670.92NA1.110.763.392.670.811.271.550.220.260.07NA0.570.960.960.130.440.871.320.93
ThymineME4158941.34NA0.710.392.221.890.451.670.910.210.05NANA2.06NA0.070.02NA0.381.511.09
1,7-Dimethyluric acidME4155860.81NA0.810.701.351.560.842.381.590.430.660.65NA2.440.200.800.320.660.861.391.08
Phe-HisME4158401.12NA0.670.612.131.281.022.431.060.130.080.74NA1.30NA0.940.090.131.201.950.79
GuanosineME4157381.35NA0.620.252.061.420.281.230.780.090.030.19NA1.770.271.601.290.662.630.900.54
His-TrpME4157531.22NA0.951.190.790.811.161.291.470.151.16NANA0.590.040.810.490.632.661.390.53
2^-O-MethylguanosineME4155951.060.001.431.431.341.670.831.341.570.170.330.240.011.200.360.980.691.282.111.780.99
3-MethylcytidineME4156030.92NA1.141.081.141.570.610.811.130.310.110.09NA1.19NA0.890.531.322.601.701.09
N2,N2-DimethylguanosineME4158100.94NA0.881.071.421.920.931.391.310.130.190.200.011.090.060.710.641.562.582.250.88
3-CysteinylacetaminophenME4156000.41NA1.792.292.922.730.871.022.550.860.410.10NA0.31NANANA0.040.220.720.53
3-cysteinylacetaminophen glucuronideME4159190.10NA0.621.143.142.930.801.412.871.030.24NANA0.35NANA0.05NANANANA
S-succinylcysteineME4158810.66NA2.691.522.352.600.390.811.610.570.03NANA0.17NA1.010.740.570.940.760.60
N,N-DimethylarginineME4158090.850.031.191.402.813.291.100.992.300.750.640.210.070.790.330.770.780.520.741.130.73
N8-AcetylspermidineME4158120.920.192.161.602.032.140.851.401.570.280.350.440.231.350.110.540.360.810.791.601.52
N-Acetyl-D-galactosaminitolME4158130.870.041.661.331.872.131.131.572.920.610.610.550.071.050.111.070.260.520.641.490.90
1-(1Z-Hexadecenyl)-sn-glycero-3-phosphocholineME4155841.01NA1.902.461.680.920.130.721.460.550.44NANA0.622.311.760.200.110.470.630.60
Androstan-3-ol-17-one 3-glucuronideME4156380.82NA2.952.261.321.330.550.922.140.540.290.04NA0.341.461.260.590.400.810.900.61
Androstane-3,17-diol, (3.alpha.,5.alpha.,17.beta.)-ME4156390.81NA2.402.451.581.370.530.882.020.720.30NANA0.221.221.350.480.270.470.810.68
7-MethylguanosineME4156190.83NA2.352.021.171.310.780.891.241.210.520.27NA0.970.161.070.090.440.542.850.78
5^-MethylthioadenosineME4156171.160.021.361.331.561.710.420.741.160.710.260.10NA1.351.101.551.970.460.550.991.02
Phenylacetyl-L-glutamineME4158440.81NA1.481.100.790.750.490.671.131.351.310.33NA1.121.631.321.190.881.361.020.85
EthanolamineME4156921.070.161.011.291.421.841.150.460.531.291.470.720.231.290.471.070.971.081.321.470.48
TMAOME4158951.160.021.171.211.521.480.711.001.542.102.010.690.060.980.640.990.410.550.680.980.58
CreatinineME4156791.230.081.081.171.501.441.041.171.461.151.160.770.181.170.590.930.520.780.901.250.76
Glycocholic acidME4157251.060.001.571.681.381.250.881.211.601.141.020.430.000.971.301.260.760.670.861.020.76
Trp-ArgME4159001.160.010.690.741.981.021.461.132.481.751.970.290.120.410.591.400.370.420.721.400.41
Ile-TrpME4157641.190.161.150.852.101.321.101.021.702.560.970.080.470.500.900.910.180.170.891.390.80
Lys-TrpME4157980.98NA1.940.691.270.930.630.891.162.141.130.23NA0.381.081.590.450.440.811.380.92

Factors:

F1Factor:QC
F2Factor:Time point 1
F3Factor:Time point 10
F4Factor:Time point 11
F5Factor:Time point 12
F6Factor:Time point 13
F7Factor:Time point 14
F8Factor:Time point 15
F9Factor:Time point 16
F10Factor:Time point 17
F11Factor:Time point 18
F12Factor:Time point 19
F13Factor:Time point 2
F14Factor:Time point 20
F15Factor:Time point 3
F16Factor:Time point 4
F17Factor:Time point 5
F18Factor:Time point 6
F19Factor:Time point 7
F20Factor:Time point 8
F21Factor:Time point 9
Data matrix
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