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

HILIC NEGATIVE ION MODE (Analysis AN002535)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31
Sebacic acidME3678940.210.300.290.7920.600.200.260.290.265.461.000.230.190.220.180.210.200.180.170.170.220.160.230.260.170.270.250.210.200.230.30
4-Pyridoxic acidME3678640.241.031.110.890.9311.241.261.061.061.380.880.510.740.470.610.380.840.620.660.620.560.13NANANA0.110.280.500.230.310.18
Caprylic acidME3678600.090.350.360.875.1514.220.340.230.732.731.060.140.220.130.080.170.070.080.090.070.160.090.070.130.050.280.110.130.080.090.27
3-Indolepropionic acidME3678801.02NANA0.16NA0.63NANA0.07NA0.533.280.470.013.40NA1.250.740.241.96NA0.400.380.020.56NA0.970.390.071.252.37
Hippuric acidME3678701.370.260.350.580.601.140.230.400.320.411.096.180.170.115.280.112.710.180.271.760.060.820.140.340.660.211.790.240.652.030.47
3-MethylxanthineME3678560.65NANANANA0.91NANANANA0.552.053.172.381.022.050.891.261.430.610.280.52NANANANA0.430.110.030.060.06
SorbitolME3678511.630.460.520.680.490.830.550.500.560.551.011.421.452.801.192.321.861.141.301.690.840.820.570.610.540.531.080.790.780.730.74
MethylcysteineME3678610.670.170.170.200.190.450.110.110.100.100.961.472.482.612.071.551.933.802.291.941.120.730.180.410.220.230.470.520.700.520.42
Gentisic acidME3678810.57NANA0.020.010.460.030.010.020.010.741.212.421.991.750.011.861.951.201.630.070.510.440.611.470.290.890.760.741.430.16
Quinic acidME3678762.28NANA0.11NA0.41NANANANA0.531.632.071.931.930.411.751.701.911.650.670.320.060.34NA0.320.430.650.440.530.31
CorticosteroneME367845NANANA2.81NA0.600.48NA0.770.310.361.640.73NA1.26NA1.020.430.341.360.33NA0.290.512.21NA0.80NA1.792.221.09
ADPME3679140.521.520.560.490.341.081.470.960.651.620.641.291.281.030.853.570.640.810.600.840.341.030.200.430.340.200.600.871.261.811.71
Methylmalonic acidME3679021.281.301.101.280.521.311.731.221.011.000.521.263.082.250.97NA1.181.190.721.02NANANANANA0.740.590.740.640.970.88
Glycocholic acidME367872NANANANA0.820.790.670.470.741.680.581.323.081.76NA0.721.041.781.900.731.320.35NA0.19NA1.520.610.470.750.310.88
Glycodeoxycholic acid/Glycochenodeoxycholic acidME3678660.360.190.240.480.951.030.620.660.571.700.971.021.701.010.470.471.031.801.740.701.330.370.150.500.241.621.570.471.410.861.28
Chenodeoxycholic acid/Deoxycholic acidME3678730.75NANA0.96NA1.10NA0.720.72NA0.590.870.620.780.53NA1.150.831.271.07NA0.370.372.240.37NA1.391.091.511.400.94
Indoxyl sulfateME3678651.640.040.391.840.021.640.181.251.640.031.011.331.340.831.240.021.380.800.681.540.060.710.620.801.010.012.681.410.941.630.14
Vitamin CME3679091.160.670.650.820.840.960.870.760.900.890.99NANA3.152.11NA1.140.850.911.170.850.870.640.750.780.651.480.931.061.270.95
Propionic acidME3678681.110.721.050.900.851.270.870.621.100.530.600.620.770.890.830.771.321.381.082.381.980.500.250.592.00NA0.830.950.920.900.81
Salicyluric acidME3678911.270.261.862.210.541.490.680.960.470.420.840.422.050.610.620.370.911.610.572.211.141.370.641.311.690.341.040.670.610.770.87
2-Phosphoglyceric acidME3679110.911.590.990.610.631.171.352.041.681.110.77NA2.16NANANA0.760.830.671.060.721.090.381.021.000.600.580.770.931.100.90
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME3679061.540.960.921.271.151.891.281.171.641.480.980.030.040.040.030.050.070.070.070.060.071.431.121.051.351.202.131.381.331.971.50
Aminoadipic acidME3678890.730.770.860.771.071.021.351.401.521.320.960.280.360.280.33NA0.400.620.490.590.550.470.700.610.620.681.481.151.361.321.52
Xanthurenic acidME3679081.450.741.031.410.581.160.871.341.591.330.88NANANANANA0.820.740.510.680.510.74NA0.661.100.851.270.690.781.411.17
PhosphocreatineME3678950.770.410.760.560.541.011.291.151.200.530.630.400.600.320.480.680.841.040.800.480.850.700.810.451.01NA0.852.731.641.511.64
4-Hydroxymandelic acid/Homogentisic acidME3678820.700.780.880.671.000.561.041.270.731.050.930.550.650.600.520.530.760.900.950.851.070.20NA0.15NA0.581.791.111.141.361.99
Lactose/Sucrose/TrehaloseME3678520.520.691.010.840.781.090.820.970.721.860.811.760.800.870.440.701.141.111.441.241.370.400.490.710.290.680.870.980.680.711.92
4,5-Dihydroorotic acidME3678750.670.690.601.020.621.231.731.301.222.100.820.670.540.550.530.620.971.321.291.241.260.841.391.341.091.940.710.830.610.990.97
Suberic acidME3678930.990.921.001.582.841.580.881.020.961.490.930.770.740.720.700.780.810.820.750.850.880.860.840.980.730.820.980.940.890.921.00
HypoxanthineME3678590.760.980.550.880.380.791.661.401.171.230.930.391.190.550.700.831.020.680.881.060.730.912.180.600.870.800.801.220.991.601.18
Erythronic acidME3678770.671.682.011.141.630.981.151.201.091.160.771.171.321.251.291.230.960.840.930.710.901.181.030.700.971.020.980.770.510.710.72
Myo-inositolME3678531.250.700.770.940.740.860.740.891.070.990.762.281.391.011.310.901.011.091.011.061.150.570.770.810.790.790.970.951.031.031.06
3-Phosphoglyceric acidME3679130.510.810.900.790.601.131.451.581.431.180.980.610.790.550.480.640.920.951.090.910.681.220.691.361.061.001.070.781.121.421.24
Indolelactic acidME3678790.860.600.730.700.560.870.910.910.930.761.000.650.950.890.610.600.811.141.610.990.920.640.640.670.900.601.461.361.461.421.24
Phenyllactic acidME3678620.800.600.720.890.590.711.201.301.040.751.100.911.210.980.840.700.821.161.171.050.880.860.720.960.710.741.121.241.151.261.17
2-Hydroxybutyric acid/3-Hydroxybutyric acidME3678631.160.920.770.791.150.921.091.161.111.151.001.210.900.691.531.560.580.620.710.750.930.781.160.981.170.751.250.940.961.161.13
Adipic acidME3678961.001.011.021.331.840.920.910.950.911.240.990.900.990.880.921.030.880.860.940.910.971.141.291.341.291.180.990.920.920.870.90
Glutamic acidME3678871.011.401.330.901.061.081.531.221.061.411.040.470.710.520.560.600.960.730.800.760.650.511.030.590.750.961.291.181.041.151.15
Pantothenic acidME3678710.641.050.950.770.951.481.431.331.191.390.920.630.810.870.801.040.940.990.910.970.980.620.700.620.750.711.011.040.990.991.02
XanthineME3678840.891.091.041.190.920.981.451.411.311.191.020.801.050.800.810.810.760.790.830.710.830.761.050.820.870.710.861.241.121.170.91
3-Methyladipic acid/Pimelic acidME3678921.271.331.471.451.380.921.031.081.071.000.960.890.870.820.840.810.870.820.860.860.840.920.830.850.800.831.161.000.990.991.00
Pyruvic acidME3678831.331.691.691.410.960.871.001.050.940.690.911.040.970.921.160.960.750.860.970.860.780.730.980.870.720.911.180.891.051.090.97
3-Methyl-2-oxovaleric acid/KetoleucineME3678570.770.830.961.020.940.721.041.111.211.170.980.780.680.620.700.750.901.031.091.041.060.940.491.121.151.101.071.021.151.251.29
ThymineME3678460.930.790.840.830.770.940.950.870.910.871.031.000.940.961.020.771.101.111.301.201.030.560.870.710.780.711.181.051.171.201.08
Aspartic acidME3678881.031.020.910.990.920.761.050.811.000.981.030.871.150.810.961.060.911.001.080.921.010.590.750.780.690.731.151.111.211.031.29
Homovanillic acidME3678780.940.950.891.151.160.901.111.001.211.101.010.750.760.700.740.820.870.980.970.940.920.520.760.780.590.651.221.181.151.231.22
Glyceric acidME3678740.880.911.070.960.971.131.061.081.241.041.211.120.980.920.990.871.111.031.091.010.891.211.050.891.031.020.990.830.810.870.82
sn-Glycero-3-phosphateME3679030.910.991.241.150.921.201.201.151.260.930.940.750.860.900.730.710.981.001.140.840.860.990.990.860.980.801.121.051.041.070.90
Azelaic acidME3678990.930.840.861.261.451.000.901.070.971.100.930.860.921.030.770.990.971.050.840.981.000.821.041.190.781.021.020.971.021.011.22
Oxalic acidME3679051.091.011.021.041.421.011.071.021.031.321.010.870.890.850.831.030.770.750.790.821.071.041.070.981.091.110.961.010.920.951.28
Quinolinic acidME3679071.030.921.041.021.210.991.061.081.001.211.010.940.841.080.670.750.700.860.890.830.990.891.181.061.051.071.011.131.091.041.18
Lactic acidME3678671.011.131.131.050.940.911.081.101.250.771.010.841.040.741.050.860.920.951.001.000.820.771.031.050.640.951.110.881.271.180.99
UracilME3678470.900.991.020.920.780.951.091.041.060.991.000.940.900.991.110.930.800.841.020.890.880.721.120.981.130.770.981.151.261.291.00
UridineME3678490.941.041.070.930.790.891.020.980.990.931.001.001.011.091.191.040.810.861.110.930.910.751.090.961.150.740.971.101.201.260.95
Fumaric acid/Maleic acidME3679010.880.960.931.011.200.850.940.940.930.950.991.061.081.031.071.140.991.120.941.011.000.900.891.170.901.020.990.911.001.051.14
Malic acidME3678980.850.950.910.971.200.850.930.950.930.961.001.081.071.031.061.140.991.140.951.030.990.920.881.210.891.040.990.910.991.041.15
Succinic acidME3678970.930.870.991.190.980.890.930.930.990.891.030.911.140.900.910.900.951.171.091.080.950.910.971.120.920.860.970.971.201.091.02
Uric acidME3678901.000.790.830.800.851.040.980.960.951.011.010.930.970.970.920.951.011.051.071.031.100.860.920.880.920.871.091.051.101.111.11
RibothymidineME3678480.940.870.900.910.910.941.000.960.980.971.010.990.981.041.031.050.920.981.090.931.000.691.000.940.880.921.071.061.121.171.08
Glucose/Fructose/GalactoseME3678501.050.930.950.980.931.040.980.951.010.970.990.950.960.960.950.940.960.991.080.980.990.850.950.890.920.981.091.031.071.091.06
N-AcetylalanineME3678690.990.980.991.030.970.940.970.920.910.971.040.940.981.010.870.930.861.001.010.940.980.941.090.970.970.931.091.101.091.121.11
Malonic acidME3678850.920.950.940.941.061.041.051.141.061.091.010.971.020.991.000.960.951.000.960.931.020.980.950.870.950.930.971.031.031.000.98
Oxoglutaric acidME3679040.931.061.101.031.090.911.000.971.010.980.991.051.041.051.081.010.980.980.970.960.990.921.001.090.970.881.011.010.971.011.01
Citric acid/Isocitric acidME3679100.990.970.941.010.950.991.000.981.010.961.001.061.051.051.101.050.981.041.051.031.050.880.921.011.000.900.930.991.030.970.98
trans-Aconitic acidME3679121.011.051.051.011.030.971.000.970.980.960.971.031.071.011.061.020.951.031.081.011.040.780.810.930.900.850.980.991.030.991.04
Thymine-d4 [iSTD]ME3678440.940.930.930.980.991.041.071.101.071.091.050.890.840.860.910.840.960.970.950.951.000.831.071.081.041.110.981.041.061.061.06
2-Hydroxyglutaric acidME3679000.991.121.121.081.041.170.961.000.990.960.960.951.051.060.950.930.960.961.000.950.990.991.031.021.001.161.020.970.990.960.97
Glycocholic acid-d4 [iSTD]ME3678431.001.030.970.981.001.121.011.091.001.070.990.960.991.001.020.960.990.990.940.970.991.151.091.031.111.020.970.980.950.950.97
2-Hydroxy-3-methyl-pentanoic acidME3678580.920.690.760.800.920.881.000.991.000.980.980.900.950.851.030.880.820.941.040.941.040.740.981.050.990.931.111.101.221.241.36
N6-AcetyllysineME3678540.890.920.991.061.040.891.171.071.121.120.930.860.941.000.850.870.900.881.020.860.920.661.020.860.910.951.061.051.101.151.21
Eicosapentaenoic acidME3678551.281.231.101.160.871.251.021.441.381.361.011.100.980.590.941.131.100.770.640.860.801.030.470.680.650.391.120.980.731.060.91
Glucuronic acidME3678861.220.880.981.101.321.260.871.101.061.031.091.361.181.311.110.791.211.030.980.980.991.490.620.840.950.801.010.670.690.830.77

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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