Clustering data with hclust algorithm for Plasma metabolites of known identity profiled using hybrid nontargeted methods (part-III) (Study ST001521)

Reversed phase NEGATIVE ION MODE (Analysis AN002536)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31
Sebacic acidME3679860.140.240.230.7022.770.130.220.230.225.701.030.150.130.150.140.150.120.130.100.120.160.140.130.140.120.150.180.130.140.160.20
Capric acidME3679250.401.481.472.219.510.391.231.051.195.070.930.350.430.350.340.400.310.290.260.290.340.360.300.310.300.490.440.360.340.380.54
Chenodeoxycholic acidME3679642.110.030.120.090.041.610.120.550.210.051.040.570.701.340.280.081.702.052.351.490.050.970.367.400.600.031.931.011.911.070.23
Cholic acidME3679692.920.120.200.120.191.110.130.180.100.181.040.190.462.330.230.231.022.131.053.210.213.960.478.920.830.082.200.381.230.720.20
Tauro-alpha-muricholic acid/Tauro-beta-muricholic acidME3679790.470.03NA0.640.581.230.590.321.161.210.981.581.280.210.600.910.840.630.560.931.861.341.310.581.468.080.630.530.620.421.73
1,7-Dimethyluric acidME3679931.94NANANANA0.37NANANANA0.602.692.842.052.760.730.751.480.790.520.350.45NA0.230.110.750.360.620.540.750.51
TheophyllineME3679822.720.140.150.150.140.860.150.150.150.141.054.463.443.813.491.191.271.491.261.110.711.270.160.330.380.520.760.510.460.670.35
CinnamoylglycineME3679923.040.010.020.350.030.46NA0.770.16NA0.493.590.170.122.900.021.930.33NA1.54NA0.050.050.030.04NA0.670.020.170.500.45
Hydrocinnamic acidME3679201.310.160.210.340.281.060.280.260.530.260.855.070.360.195.050.082.520.370.122.100.120.20NA0.030.24NA1.340.150.220.950.27
Taurolithocholic acidME3679750.20NANA0.770.100.98NANA0.68NA0.251.20NANA0.42NA2.56NANA1.020.092.63NANA0.300.072.62NA1.901.090.94
Deoxycholic acidME3679652.010.010.011.670.023.060.020.011.930.011.021.950.160.091.360.042.380.220.102.350.041.460.141.081.650.033.120.270.432.610.26
Glycolithocholic acidME3679700.680.030.062.690.031.030.030.041.130.040.851.850.040.050.890.063.600.100.082.340.070.590.030.060.650.035.360.060.181.540.23
7-Ketodeoxycholic acidME3679670.94NANA0.07NA0.440.560.760.28NA0.530.211.021.630.10NA0.532.161.260.73NA2.790.314.000.88NA0.441.471.520.39NA
alpha-Muricholic acidME3679681.18NANA0.18NA1.25NA0.220.34NA0.560.151.050.800.33NA1.111.262.050.93NA4.050.301.781.43NA1.210.571.340.630.97
Maslinic acidME3679630.59NANANANA2.41NANANANA0.590.900.752.531.992.573.280.290.700.520.670.490.080.120.341.190.510.140.620.531.27
Glycodeoxycholic acidME3679720.400.010.000.760.632.030.040.020.950.371.052.380.410.081.480.251.940.610.341.602.150.750.070.110.332.413.460.200.281.541.56
Taurodeoxycholic acidME3679770.320.030.010.590.811.880.200.081.220.841.051.840.610.121.040.391.350.830.441.002.061.430.170.170.354.232.140.340.321.512.38
alpha-CEHCME3679910.582.282.881.970.870.552.302.672.511.010.950.650.460.750.490.371.050.710.911.200.590.850.570.680.430.400.650.410.420.410.33
Phytanic acidME3679570.742.782.422.332.900.602.742.312.092.940.990.290.250.320.340.250.220.210.200.260.220.630.540.540.420.380.580.700.630.500.58
Glycocholic acidME3679740.160.290.320.151.570.540.990.840.483.231.020.603.722.060.380.720.922.061.690.861.450.370.110.190.061.290.660.400.870.321.10
Taurocholic acidME3679800.240.340.400.171.750.781.281.080.673.301.010.804.691.210.460.620.761.281.290.611.080.540.210.350.141.940.480.380.700.291.50
Glycoursodeoxycholic acidME3679730.470.030.020.800.801.170.150.891.130.691.030.460.760.710.220.260.391.092.430.370.270.570.220.590.232.061.450.794.021.561.33
Taurohyodeoxycholic acid/Tauroursodeoxycholic acidME3679780.590.060.030.741.220.840.461.201.741.340.851.050.760.460.200.480.330.731.520.190.301.370.361.080.193.000.690.483.110.951.53
Dodecanedioic acidME3679330.820.780.790.875.120.780.760.880.822.131.020.840.840.900.900.930.840.790.820.921.060.840.720.820.730.760.890.740.740.830.81
2-Hydroxycaprylic acidME3679234.690.500.751.850.750.590.790.890.860.861.040.820.761.240.620.930.781.181.340.891.050.710.320.670.470.810.780.770.800.821.35
Hyodeoxycholic acid/Ursodeoxycholic acidME3679660.88NANA0.890.001.280.010.861.05NA0.750.960.980.790.65NA0.770.610.470.75NA0.510.502.630.63NA1.391.652.070.960.19
Indoleacetic acidME3679260.680.420.480.590.450.850.961.160.830.581.070.742.212.770.660.620.871.912.121.540.760.440.960.870.500.450.750.751.570.790.57
p-Hydroxyphenylacetic acidME3680000.660.250.650.520.460.700.951.310.570.361.040.803.091.860.700.330.782.122.110.770.460.591.461.910.630.480.961.411.350.970.56
Salicylic acidME3679811.690.281.691.930.401.150.320.450.340.510.990.792.520.981.100.740.971.570.662.141.051.610.761.341.790.571.010.660.800.890.95
Salicyluric acidME3679850.970.261.661.370.521.290.621.110.390.350.820.301.850.660.520.430.961.820.512.241.171.020.592.051.260.371.110.681.040.761.27
Mandelic acidME3679212.230.291.440.670.540.550.440.880.500.580.600.570.480.580.800.402.221.501.221.191.520.410.690.900.670.950.521.061.851.071.67
Glycochenodeoxycholic acidME3679710.270.240.360.301.190.930.750.640.501.671.040.992.041.330.410.621.102.181.960.701.580.330.130.290.111.711.300.521.240.751.32
Taurochenodeoxycholic acidME3679760.500.310.430.391.300.990.900.830.731.641.031.131.601.050.700.740.961.741.640.771.340.640.330.540.262.670.890.500.950.781.66
9,10-DiHOMEME3679170.610.450.370.501.020.520.380.420.540.721.031.122.641.101.021.661.391.561.071.372.060.830.530.550.571.350.710.700.690.871.89
3-Hydroxydecanoic acidME3679271.150.470.470.611.710.790.400.660.761.371.041.601.120.961.241.720.811.020.630.821.440.780.370.720.581.380.900.610.770.952.33
3-Hydroxyoctanoic acidME3679240.900.340.350.512.190.620.320.450.481.631.041.401.461.141.192.220.680.920.620.741.820.580.380.640.471.650.780.680.710.872.48
Eicosanedioic acidME3679621.030.380.410.550.411.240.560.530.670.531.051.390.901.871.951.241.881.822.131.751.351.210.350.370.640.451.390.410.440.770.55
2-Aminooctanoic acidME3679221.640.570.510.580.660.930.970.790.890.891.020.720.591.070.710.601.451.982.151.481.400.720.430.430.420.530.860.890.960.831.00
Pregnenolone sulfateME3680010.630.430.420.560.491.150.720.790.870.701.041.211.221.111.050.721.521.351.641.581.280.770.741.261.181.001.150.680.951.090.98
4-HydroxystyreneME3679900.890.490.560.590.501.050.760.760.690.541.031.550.890.853.710.551.390.900.891.300.581.390.520.741.260.521.380.930.981.440.98
Phenyllactic acidME3679990.910.620.690.710.610.990.890.890.830.671.031.290.970.812.640.631.190.960.891.200.681.180.580.681.150.621.331.061.021.381.08
5-Dodecenoic acidME3679281.980.950.861.160.830.970.461.061.060.741.022.782.131.131.951.970.540.880.370.680.881.310.460.830.750.360.990.540.621.120.95
cis-Erucic acidME3679610.980.650.670.660.610.880.780.900.920.861.011.502.210.981.601.861.080.990.751.131.540.580.560.650.500.621.260.850.730.990.97
alpha-Linolenic acidME3679431.390.770.630.820.620.900.510.830.800.731.041.911.991.231.662.071.091.270.581.081.391.020.670.640.710.630.910.700.680.991.07
Eicosenoic acidME3679551.270.860.760.810.620.810.710.920.850.851.051.751.461.041.841.821.061.130.671.081.370.840.870.810.760.710.940.900.671.050.96
Lauric acidME3679290.880.910.891.071.440.830.831.061.051.331.021.331.881.381.302.000.900.910.760.941.270.910.630.570.580.500.940.710.630.820.87
gamma-Linolenic acidME3679421.541.231.111.210.890.910.731.091.100.891.021.561.600.991.311.721.131.070.590.971.130.810.620.580.590.471.020.740.630.900.88
Palmitoleic acidME3679361.761.251.061.280.880.980.871.251.071.001.031.781.611.071.521.660.890.780.360.690.791.021.010.720.820.510.900.890.621.120.78
Myristoleic acidME3679311.711.691.441.711.610.970.991.511.411.481.021.391.200.911.031.310.760.440.200.400.411.120.970.630.770.430.980.880.601.080.82
3-Methyladipic acidME3679891.411.140.921.181.690.870.820.690.721.090.960.960.840.990.980.811.100.860.700.871.081.781.321.121.311.561.010.850.921.061.11
Arachidic acidME3679560.800.740.780.750.770.820.920.990.931.020.971.141.271.021.131.371.020.990.850.981.310.600.690.680.610.841.151.101.021.111.25
12,13-DiHOMEME3679160.820.720.720.900.960.950.810.850.870.971.021.291.351.311.031.221.101.270.881.121.230.900.750.800.671.140.960.840.831.001.31
13-HODEME3679180.760.630.600.860.890.970.760.880.870.951.041.171.401.130.891.250.771.090.790.951.350.930.700.650.731.061.000.880.981.091.84
OxypurinolME3679970.861.141.071.190.910.791.521.421.331.231.060.710.930.690.730.750.740.730.720.680.780.701.180.830.760.600.831.461.231.300.95
Undecanedioic acidME3679300.960.920.931.022.260.940.940.930.911.231.001.000.960.990.950.910.940.970.870.920.951.020.980.960.960.950.980.911.050.950.99
Hexadecanedioic acidME3679471.101.011.031.161.530.930.981.101.031.261.001.060.910.981.100.920.980.920.900.920.991.080.841.040.860.861.050.850.881.030.88
Tetradecanedioic acidME3679380.990.950.951.011.730.950.971.131.041.381.010.930.850.890.940.890.940.880.890.930.941.060.921.080.910.911.050.930.941.070.94
Azelaic acidME3679840.871.050.721.081.300.880.880.890.811.030.931.070.901.120.801.050.931.170.720.911.081.021.111.010.831.180.990.881.440.961.25
RibothymidineME3680020.981.050.930.921.070.901.011.020.980.991.050.910.940.990.880.990.991.031.021.041.040.550.920.770.760.750.961.121.171.061.10
Levulinic acidME3679190.991.021.071.121.070.971.001.051.191.091.030.830.680.740.830.790.860.940.881.030.980.951.031.091.080.911.111.011.031.141.11
Palmitoyl-EAME3679981.141.221.001.051.061.021.091.091.181.131.031.000.830.880.970.960.800.790.760.870.830.950.960.880.920.971.121.061.001.121.03
Stearic acidME3679461.161.081.011.051.020.971.011.071.051.081.031.000.940.931.011.030.900.880.810.900.890.950.910.940.920.861.121.041.001.061.06
Glucose/Fructose/GalactoseME3679950.991.011.010.980.921.071.051.051.091.000.990.980.970.980.980.960.970.970.930.990.930.810.920.930.840.951.081.001.061.061.02
2-Hydroxymyristic acidME3679350.980.990.991.001.121.021.091.151.051.191.021.011.000.971.040.950.860.920.870.880.930.891.010.910.780.831.051.031.071.060.95
2-Hydroxypalmitic acidME3679411.000.920.900.931.100.950.991.031.021.041.041.000.981.001.051.010.890.930.870.970.950.810.950.970.740.861.071.101.121.121.06
N-FormylmethionineME3679941.050.870.940.931.010.880.910.840.860.931.040.961.121.120.921.030.971.131.001.001.040.971.091.020.981.061.101.070.941.071.10
N-AcetylalanineME3679961.071.051.051.051.020.960.960.960.920.981.030.991.030.950.940.970.870.870.920.930.841.061.131.121.081.151.081.061.091.081.06
PEGE2-d4 [iSTD]ME3679150.990.991.030.981.000.990.981.001.000.990.990.991.000.981.010.980.991.011.011.011.011.011.001.060.991.040.981.001.011.011.00
Eicosapentaenoic acidME3679511.281.090.961.060.891.320.961.431.461.281.051.241.150.731.021.071.010.850.580.840.771.000.530.650.660.361.140.860.731.130.94
Arachidonic acidME3679521.430.990.871.100.911.100.911.281.321.241.041.150.970.781.151.170.880.820.610.780.790.870.730.820.770.521.041.020.941.131.11
Eicosatrienoic acidME3679531.310.930.880.990.811.080.911.401.371.251.041.290.980.791.261.120.960.850.590.870.870.960.760.750.760.521.170.880.821.160.98
Adrenic acidME3679601.741.151.081.250.941.080.911.281.291.141.031.220.980.791.251.110.900.740.530.760.730.880.690.750.680.471.150.930.841.190.99
DPAME3679591.591.061.021.200.941.170.891.381.421.201.011.130.920.741.141.061.060.850.600.830.780.830.500.630.590.321.160.920.821.150.95
11Z,14Z-Eicosadienoic acidME3679541.430.970.870.950.711.020.811.151.130.991.041.551.141.011.581.440.980.920.610.930.921.120.870.890.880.581.110.900.751.070.90
Palmitic acidME3679371.291.091.001.101.050.980.971.121.061.131.041.171.060.911.141.200.860.870.700.860.901.010.920.890.930.801.060.980.871.081.01
Linoleic acidME3679441.360.920.861.020.870.920.811.081.031.041.051.361.241.011.281.390.921.020.620.951.100.980.890.810.860.771.000.910.791.111.04
Oleic acidME3679451.361.030.931.030.900.910.851.031.000.991.051.321.181.001.331.400.940.980.660.951.060.970.980.900.910.780.970.960.811.071.00
17-Methyloctadecanoic acidME3679501.501.451.411.381.331.021.281.551.531.440.950.700.650.570.830.710.520.390.330.450.480.930.890.930.820.701.221.071.181.161.11
10Z-Heptadecenoic acidME3679391.801.411.201.441.121.081.031.551.411.391.001.121.000.660.991.060.720.530.270.480.600.860.890.670.740.531.050.920.811.331.06
Nonadeca-10Z-enoic acidME3679481.711.381.201.311.230.941.061.481.401.471.011.090.870.651.151.240.720.580.350.550.700.890.860.840.790.641.030.930.791.131.01
DHAME3679581.471.100.941.211.001.120.921.241.441.191.031.040.780.761.031.060.850.740.570.700.681.330.911.030.980.631.161.020.871.141.04
Myristic acidME3679321.311.191.121.311.400.981.011.301.251.461.001.091.150.840.981.110.820.710.530.680.760.990.870.770.810.671.060.930.791.071.01
Nonadecylic acidME3679491.271.151.031.071.080.971.071.221.211.270.970.950.820.781.030.990.820.760.620.750.800.830.910.900.810.791.181.071.021.131.12
Margaric acidME3679401.571.281.151.281.231.031.081.351.331.380.990.850.750.670.880.910.660.580.450.570.610.920.900.870.880.751.171.061.001.221.18
Pentadecylic acidME3679341.371.201.121.331.331.101.121.381.351.490.980.860.800.690.820.790.720.640.540.600.660.981.010.870.880.771.061.030.921.181.09
IbuprofenME3679870.490.910.380.800.690.080.020.060.040.020.240.1117.850.127.190.090.150.430.210.370.400.220.150.280.140.130.160.110.090.220.10
SaccharinME3679830.840.420.880.780.232.490.302.690.590.360.485.6313.390.230.210.420.090.300.110.130.110.270.030.420.290.200.260.030.020.140.08

Factors:

F1Study_Diet:Modulen | Sex:Female | Time:Baseline
F2Study_Diet:Modulen | Sex:Female | Time:Day 12
F3Study_Diet:Modulen | Sex:Female | Time:Day 15
F4Study_Diet:Modulen | Sex:Female | Time:Day 5
F5Study_Diet:Modulen | Sex:Female | Time:Day 9
F6Study_Diet:Modulen | Sex:Male | Time:Baseline
F7Study_Diet:Modulen | Sex:Male | Time:Day 12
F8Study_Diet:Modulen | Sex:Male | Time:Day 15
F9Study_Diet:Modulen | Sex:Male | Time:Day 5
F10Study_Diet:Modulen | Sex:Male | Time:Day 9
F11Study_Diet:NA | Sex:NA| Time:NA
F12Study_Diet:Vegan | Sex:Female | Time:Baseline
F13Study_Diet:Vegan | Sex:Female | Time:Day 12
F14Study_Diet:Vegan | Sex:Female | Time:Day 15
F15Study_Diet:Vegan | Sex:Female | Time:Day 5
F16Study_Diet:Vegan | Sex:Female | Time:Day 9
F17Study_Diet:Vegan | Sex:Male | Time:Baseline
F18Study_Diet:Vegan | Sex:Male | Time:Day 12
F19Study_Diet:Vegan | Sex:Male | Time:Day 15
F20Study_Diet:Vegan | Sex:Male | Time:Day 5
F21Study_Diet:Vegan | Sex:Male | Time:Day 9
F22Study_Diet:Western | Sex:Female | Time:Baseline
F23Study_Diet:Western | Sex:Female | Time:Day 12
F24Study_Diet:Western | Sex:Female | Time:Day 15
F25Study_Diet:Western | Sex:Female | Time:Day 5
F26Study_Diet:Western | Sex:Female | Time:Day 9
F27Study_Diet:Western | Sex:Male | Time:Baseline
F28Study_Diet:Western | Sex:Male | Time:Day 12
F29Study_Diet:Western | Sex:Male | Time:Day 15
F30Study_Diet:Western | Sex:Male | Time:Day 5
F31Study_Diet:Western | Sex:Male | Time:Day 9
Data matrix
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