Clustering data with hclust algorithm for Canine Diabetes - Preliminary Evaluation of Testing Methods (Study ST000541)

Reversed phase POSITIVE ION MODE (Analysis AN000822)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21
METHYL BETA-D-GALACTOSIDEME1598630.020.030.000.000.360.150.030.010.000.050.090.120.080.241.920.320.280.470.1918.820.18
TYRAMINEME1599100.604.450.150.100.130.2711.160.310.280.550.250.041.082.070.250.490.080.420.110.160.05
3-METHOXYTYRAMINEME1597940.7610.480.244.590.670.180.980.830.120.160.930.070.230.320.250.110.250.380.400.390.25
Taurodeoxycholic Acid (T-DCA)_R2ME1599020.01NA0.000.000.040.010.010.302.851.120.020.010.370.103.601.657.382.260.210.000.49
Taurodeoxycholic Acid (T-DCA)_R1ME1599010.030.000.000.100.390.000.060.454.461.770.100.060.570.011.863.644.641.640.050.012.04
Taurochenodesoxycholic acid (T-CDCA)ME1598950.010.000.000.010.200.020.030.293.881.750.040.030.400.353.242.316.191.930.580.010.49
Taurocholic acid (TCA)_R5ME1599000.040.140.010.110.500.690.080.384.371.880.020.020.640.562.111.815.081.370.790.000.96
Taurocholic acid (TCA)_R3ME1598980.050.180.020.260.400.570.120.424.092.050.040.070.640.452.171.505.551.370.610.011.04
Taurocholic acid (TCA)_R1ME1598960.090.150.050.230.430.570.130.394.121.890.070.050.570.451.991.745.741.380.680.010.93
Taurocholic acid (TCA)_R2ME1598970.090.150.040.230.420.570.120.364.101.930.060.070.580.442.061.645.851.350.680.010.97
Taurocholic acid (TCA)_R4ME1598990.020.150.010.260.440.560.110.374.151.970.020.020.600.452.141.595.861.330.670.011.01
NICOTINAMIDEME1598770.800.790.150.190.100.180.420.430.201.160.300.641.521.030.240.400.396.650.760.250.13
ADENOSINEME1598060.660.092.390.044.750.550.061.561.850.741.180.121.470.201.130.790.820.700.000.381.71
PIPECOLATE/L-PIPECOLIC ACIDME1598850.560.900.570.737.270.490.751.010.690.920.700.820.490.641.650.630.090.750.840.760.49
LysoPE (22:4)ME1598601.410.020.140.150.690.860.931.101.450.230.351.240.420.904.693.561.940.200.070.461.01
LysoPE (22:6)ME1598611.460.390.050.060.440.142.342.010.332.660.990.140.270.980.450.691.001.000.964.270.23
CREATINEME1598230.284.360.083.021.821.120.411.100.371.610.330.300.320.280.280.370.890.660.472.790.26
N-METHYL-D-ASPARTIC ACID_R2ME1598790.333.210.982.951.701.990.351.092.662.570.210.260.210.210.310.290.420.230.270.190.23
URIDINEME1599131.272.510.460.981.331.762.250.801.762.780.260.260.051.130.180.481.530.300.040.810.20
METHYL INDOLE-3-ACETATEME1598642.340.000.370.020.160.501.510.360.020.580.940.791.420.210.462.232.332.040.332.751.75
IsovalerylcarnitineME1598370.350.350.270.971.933.191.640.540.461.180.500.610.730.790.630.252.480.571.280.390.58
LysoPE (20:4)_R2ME1598590.240.390.090.171.240.122.341.790.302.060.290.810.331.742.513.420.490.080.491.181.92
Dicyclohexyl phthalateME1598281.500.270.280.040.610.461.291.051.541.320.730.260.520.581.973.870.170.810.702.581.13
LysoPE (18:1)ME1598571.160.240.180.080.620.610.891.101.711.030.410.611.121.202.382.910.530.630.412.671.19
LysoPE (20:4)_R1ME1598582.130.220.230.140.720.441.791.551.961.490.310.470.771.212.442.500.370.450.290.681.43
LysoPC (16:1)ME1598541.470.180.140.090.490.671.281.392.042.180.550.620.750.831.912.160.220.760.591.831.02
LysoPC (16:0)ME1598531.580.260.250.170.830.391.451.291.561.740.630.540.590.981.952.440.350.850.591.571.46
LysoPC (18:0)ME1598551.570.380.270.121.090.411.571.301.491.750.610.680.410.841.442.700.640.830.421.861.10
LysoPE (18:0)ME1598561.680.360.260.170.840.411.311.111.571.380.630.650.551.001.963.070.750.700.361.851.17
6-DEOXY-HEXOSEME1598040.340.220.180.150.920.600.290.300.300.241.601.371.321.411.382.492.011.482.400.781.86
5-AMINOLEVULINIC ACID_R1ME1597991.440.170.430.220.480.420.722.800.851.240.830.800.910.851.510.891.030.781.571.100.98
5-AMINOLEVULINIC ACID_R2ME1598001.890.230.090.140.650.260.913.720.060.121.081.090.101.101.990.090.130.772.071.431.33
4-GUANIDINOBUTANOATEME1597970.690.510.310.810.732.071.031.130.593.460.701.130.190.411.090.441.001.170.631.280.28
THREONINE/HOMOSERINE_R2ME1599060.910.440.992.321.551.670.440.200.462.350.350.620.412.450.460.590.461.070.811.630.86
3-HYDROXYKYNURENINEME1597931.760.970.190.720.710.323.080.570.230.770.411.810.670.591.471.702.261.150.940.461.20
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATEME1598110.720.250.851.491.571.330.721.531.150.260.530.680.200.212.201.722.420.550.151.420.64
Kynurenic AcidME1598381.210.340.330.681.571.340.350.950.650.711.191.151.240.292.582.371.131.240.290.480.35
Sphingosine (d18:1)ME1598910.201.000.590.951.730.940.410.732.101.750.640.840.800.982.471.540.601.340.180.800.39
BETAINEME1598140.891.422.791.382.850.790.570.841.020.730.850.710.660.830.620.870.920.590.850.541.05
N-Acetyl-ArginineME1598690.861.110.640.683.230.841.790.910.621.200.820.950.940.600.821.180.960.871.000.620.74
N-MethylnicotinamideME1598800.930.660.550.050.270.750.802.170.401.080.461.311.231.260.780.720.671.991.840.790.39
Pantothenic AcidME1598811.260.500.340.650.670.480.941.470.690.770.382.541.991.540.630.540.682.071.200.270.34
N1-Methyl-4-pyridone-5-carboxamideME1598681.341.961.980.200.601.021.460.830.491.210.420.810.760.810.510.601.092.111.100.390.35
AnthranilateME1598120.720.340.330.390.770.590.560.840.260.411.311.561.611.912.251.810.571.331.080.961.64
L-KYNURENINEME1598451.480.290.240.600.970.691.250.710.450.620.531.681.510.931.691.481.111.621.460.720.96
PYRIDOXALME1598871.041.260.710.450.670.400.930.770.510.661.372.260.780.912.061.560.921.461.400.470.77
L-METHIONINEME1598480.571.160.420.611.980.560.621.420.700.950.541.500.630.930.561.772.260.821.420.920.87
CITRATEME1598211.230.480.920.201.091.201.320.861.010.740.810.600.970.571.051.332.251.100.481.591.07
N-ACETYLPUTRESCINEME1598720.980.530.580.051.310.831.041.510.760.670.430.741.220.961.511.602.521.150.211.110.79
ADENINEME1598050.610.972.610.601.800.900.341.471.811.241.010.350.930.390.821.380.690.930.310.570.97
SEROTONINME1598880.891.081.520.541.251.200.570.950.631.550.920.560.710.570.641.590.801.480.500.941.48
SEROTONIN-NH3ME1598890.881.051.490.541.211.190.570.930.641.600.900.580.780.560.721.500.841.500.490.901.53
4-AMINOBUTANOATE (GABA)ME1597960.723.131.911.960.851.280.561.041.050.860.550.790.670.800.481.050.880.530.740.800.50
LEUCINEME1598420.842.421.021.680.890.970.861.290.981.410.720.780.930.930.671.150.740.520.810.890.72
L-VALINE/5-AMINOPENTANOATE/L-NORVALINEME1598520.822.011.391.641.500.950.801.261.161.210.680.730.780.840.750.980.760.670.800.780.62
L-CARNITINEME1598410.561.440.950.981.580.900.580.741.321.141.010.740.821.130.720.991.820.951.290.761.02
TAURINEME1598940.641.330.911.700.871.350.701.011.061.190.520.930.740.910.520.611.531.511.310.160.62
AllopurinolME1598100.791.260.661.371.671.490.831.211.911.400.340.520.550.730.630.761.021.020.591.030.50
N-METHYL-D-ASPARTIC ACID_R1ME1598780.601.890.581.741.001.170.850.991.581.510.790.910.610.890.530.631.020.881.020.890.89
ProprionylcarnitineME1598860.411.500.512.081.531.220.611.041.601.540.500.600.591.080.750.571.640.791.150.610.63
GLYCINEME1598341.382.030.610.211.460.491.270.680.320.941.621.460.811.111.231.401.010.671.141.330.99
ASPARTATEME1598131.490.851.081.400.730.701.661.020.630.330.731.091.150.421.360.881.661.170.861.010.89
CARNOSINEME1598191.760.991.141.500.271.361.681.521.140.150.830.740.650.750.970.720.920.720.791.000.81
2-AMINOPHENOLME1597891.180.571.200.721.070.630.761.350.550.551.281.841.140.880.891.610.551.032.080.310.78
4-IMIDAZOLEACETIC ACIDME1597981.260.301.060.780.710.830.831.010.611.080.880.950.991.720.991.030.811.082.231.050.90
N-ACETYL-L-ASPARTIC ACIDME1598710.850.770.520.670.760.760.830.700.520.591.420.881.011.201.050.930.951.751.241.911.49
ALANINE/SARCOSINEME1598071.150.470.330.351.760.640.991.331.531.011.101.391.071.170.891.450.850.860.940.761.14
L-(+)-Lactic AcidME1598391.050.650.520.352.001.070.481.370.850.981.290.820.381.021.161.311.211.400.860.410.99
SUCCINATEME1598921.060.650.911.010.991.240.991.210.830.741.130.490.671.830.840.441.201.280.371.151.24
3-UREIDOPROPIONATEME1597950.790.990.851.260.931.501.840.941.060.870.780.790.910.700.510.651.110.891.950.810.54
URACILME1599110.931.040.901.620.951.880.971.081.050.880.650.840.520.770.580.960.580.821.561.050.60
D-RiboseME1598320.570.750.461.241.390.981.171.431.230.810.411.451.310.501.820.831.340.780.870.530.94
N-ALPHA-ACETYL-L-LYSINEME1598730.601.340.731.011.630.750.731.581.300.970.561.041.040.761.410.831.300.811.060.700.72
DiphenylamineME1598291.380.630.620.431.000.621.281.361.221.390.560.580.630.911.252.020.730.901.101.441.05
N-BOC-L-TryptophanME1598751.070.840.930.800.900.851.180.861.081.031.200.670.700.671.311.960.530.970.921.641.20
1,2-Benzisothiazolin-3-oneME1597881.141.261.251.290.501.330.700.991.161.301.150.551.360.480.571.151.090.750.891.270.74
FormylkynurenineME1598331.040.730.621.041.041.280.590.821.321.231.541.621.060.760.930.920.541.050.771.040.90
HYPOXANTHINEME1598350.620.800.651.421.261.241.171.020.781.210.401.210.841.180.761.110.921.081.391.110.49
THREONINE/HOMOSERINE_R1ME1599050.831.130.851.651.291.011.051.221.130.520.851.160.671.490.730.980.890.841.010.990.63
L-SERINEME1598511.770.800.530.670.870.741.320.941.111.371.171.531.061.351.090.730.850.561.341.150.80
Source Fragment TRPME1598901.110.530.401.001.120.811.030.921.041.260.701.221.281.271.231.061.291.011.490.700.82
TryptophanME1599091.100.500.410.951.150.811.060.950.971.190.711.251.191.301.191.101.221.021.590.740.78
2-HydroxyphenylalanineME1597901.140.950.540.820.930.801.200.810.651.241.011.390.971.361.291.391.190.751.331.020.85
L-PROLINEME1598501.120.670.540.561.100.610.911.150.931.350.991.231.101.081.341.451.120.931.190.881.07
CYTIDINEME1598261.490.961.030.771.031.670.970.660.670.830.831.120.701.070.741.281.180.980.791.030.89
IsocytosineME1598361.540.980.990.850.951.670.960.580.730.910.861.150.691.090.771.211.210.990.690.990.97
N(PAI)-METHYL-L-HISTIDINEME1598670.931.101.180.870.841.081.050.760.611.040.881.410.710.741.220.981.700.701.201.111.32
CREATININEME1598251.300.560.870.710.650.541.071.290.610.581.191.310.861.031.301.301.351.071.160.981.34
UROCANATEME1599141.311.000.930.841.010.901.121.100.930.101.240.781.291.041.321.041.050.931.230.841.06
BUTYROBETAINEME1598180.931.351.120.800.730.590.721.220.970.731.280.760.701.280.941.021.230.951.620.971.31
PhenylalanineME1598841.051.400.651.330.950.901.220.940.761.140.861.210.871.180.791.151.060.811.160.960.97
URATEME1599120.761.170.590.930.981.141.310.990.710.421.100.960.791.261.161.371.270.851.211.120.93
ALLANTOINME1598091.200.580.841.131.131.081.401.100.740.790.780.900.780.731.131.091.440.990.951.021.03
CholineME1598200.800.850.661.061.171.161.190.901.121.160.640.950.990.900.871.011.341.171.080.990.78
N-ACETYL-L-ALANINEME1598701.070.890.811.241.501.141.081.180.970.870.681.000.850.851.030.911.020.861.020.930.91
Bis(2-ethylhexyl) phthalateME1598150.880.861.331.011.350.870.790.920.780.940.970.990.981.040.861.230.900.901.591.300.81
TexanolME1599040.921.011.260.401.470.850.970.980.770.741.230.990.950.970.971.360.970.971.241.290.89
L-ARGININEME1598401.451.110.691.061.120.971.281.020.971.181.000.861.000.750.880.850.910.861.111.290.80
L-GLUTAMINEME1598431.410.790.940.971.000.961.311.241.370.861.191.090.900.960.780.910.710.830.930.950.88
Methionine SulfoxideME1598621.090.950.720.810.860.780.931.351.231.150.831.290.911.000.950.830.711.051.420.951.01
Tetrahydrothiophene-1-oxideME1599031.030.910.800.890.970.870.960.911.350.891.331.650.921.030.920.840.830.931.110.991.15
N-BOC-L-Aspartic AcidME1598740.970.950.960.881.060.941.010.901.310.881.241.420.900.950.860.990.830.971.091.031.08
Creatine-D3ME1598240.940.870.900.780.940.990.940.901.430.891.201.461.011.040.940.930.851.051.020.891.13
L-Phenylalanine 13C6ME1598490.920.950.980.891.030.970.950.921.390.901.141.440.890.920.910.920.891.041.000.941.08
L-Leucine 13C6ME1598460.940.840.940.811.010.980.960.881.380.861.141.510.900.950.960.890.951.100.980.971.12
L-Leucine-D10ME1598470.940.800.960.791.040.980.980.871.380.841.171.510.880.940.940.900.941.091.010.991.10
5-OXO-L-PROLINEME1598031.210.781.071.191.110.841.220.920.900.731.221.281.001.001.011.180.930.891.020.701.13
Dipropylene glycolME1598300.760.841.280.810.920.830.821.081.130.761.031.350.941.101.121.011.151.070.801.041.19
PHENETHYLAMINEME1598831.011.021.050.690.870.790.681.100.930.911.001.090.991.031.291.031.061.081.131.151.12
TRANS-CINNAMATEME1599071.030.871.081.101.331.090.741.021.151.080.820.961.200.861.060.990.830.921.001.080.77
Dipropyleneglycol dibenzoateME1598310.910.931.211.151.131.080.740.960.900.901.081.061.131.090.910.960.980.951.140.970.84
BOC-D-PhenylalanineME1598160.950.891.040.951.110.991.040.910.900.931.180.820.980.851.011.350.820.971.241.201.01
BOC-L-TyrosineME1598170.970.981.111.011.111.031.060.920.880.911.100.850.970.880.981.230.820.961.181.170.96
SulcatolME1598930.980.951.030.941.101.000.920.970.940.961.051.020.991.100.971.021.021.000.941.061.04
N-ButylbenzenesulfonamideME1598761.090.930.990.960.991.031.060.940.950.981.051.011.011.041.011.060.980.941.111.090.86
3,5-Di-tert-butylbenzaldehydeME1597910.990.941.220.961.141.020.920.970.920.961.071.040.961.040.921.110.900.941.151.050.86
Dibutyl phthalateME1598271.000.941.200.981.111.010.950.970.960.921.050.951.021.000.971.100.880.931.191.090.88
METHYL JASMONATEME1598651.030.971.170.881.000.961.060.940.990.941.121.030.920.920.971.100.920.971.171.061.00
Monobutyl phthalateME1598660.990.931.120.891.060.991.040.990.940.911.061.000.971.030.931.100.970.991.061.071.00
L-HISTIDINEME1598440.941.200.891.230.920.870.841.010.970.871.011.100.991.150.930.961.130.971.250.911.01
Triethyl phosphateME1599080.911.050.981.060.920.981.061.001.110.911.050.970.861.060.921.051.131.030.830.961.14
5-HYDROXY-L-TRYPTOPHANME1598011.900.470.780.920.800.960.980.760.911.320.660.961.310.881.420.881.121.300.960.910.77
CITRULLINEME1598222.080.570.750.750.980.811.461.100.990.710.831.580.620.760.921.161.280.870.961.410.59
PEG n5ME1598822.091.390.981.270.742.072.571.370.420.530.540.430.830.430.640.840.570.580.420.800.48
3-HYDROXY-3-METHYLGLUTARATEME1597920.481.921.632.580.171.011.251.331.700.600.750.340.570.310.360.251.960.540.521.850.99
5-Hydroxymethyl-2-furaldehydeME1598021.411.291.261.760.591.461.211.992.240.710.470.390.450.430.530.610.400.570.650.950.60
ALDO/KETO-HEXOSEME1598081.171.471.321.830.551.450.941.942.240.830.540.400.520.510.600.630.470.690.540.680.59

Factors:

F1Health Status:Diabetic | Gender:Neutered male | Fasting Status:Fasted | Breed:Labrador retriever | Size (S/M/L):Large
F2Health Status:Diabetic | Gender:Neutered male | Fasting Status:Fasted | Breed:Miniature schnauzer | Size (S/M/L):Small
F3Health Status:Diabetic | Gender:Neutered male | Fasting Status:Fasted | Breed:Mixed | Size (S/M/L):Large
F4Health Status:Diabetic | Gender:Neutered male | Fasting Status:Fed | Breed:Dachshund | Size (S/M/L):Small
F5Health Status:Diabetic | Gender:Neutered male | Fasting Status:Fed | Breed:Mixed | Size (S/M/L):Medium
F6Health Status:Diabetic | Gender:Spayed female | Fasting Status:Fasted | Breed:Dachshund | Size (S/M/L):Small
F7Health Status:Diabetic | Gender:Spayed female | Fasting Status:Fasted | Breed:Labrador retriever | Size (S/M/L):Large
F8Health Status:Diabetic | Gender:Spayed female | Fasting Status:Fed | Breed:Labrador retriever | Size (S/M/L):Large
F9Health Status:Diabetic | Gender:Spayed female | Fasting Status:Fed | Breed:Mixed | Size (S/M/L):Small
F10Health Status:Diabetic | Gender:Spayed female | Fasting Status:Fed | Breed:Shih Tzu | Size (S/M/L):Small
F11Health Status:Healthy | Gender:Neutered male | Fasting Status:Fasted | Breed:Flat coated retriever | Size (S/M/L):Large
F12Health Status:Healthy | Gender:Neutered male | Fasting Status:Fasted | Breed:Labrador retriever | Size (S/M/L):Large
F13Health Status:Healthy | Gender:Neutered male | Fasting Status:Fed | Breed:Dachshund | Size (S/M/L):Small
F14Health Status:Healthy | Gender:Neutered male | Fasting Status:Fed | Breed:Labrador retriever | Size (S/M/L):Large
F15Health Status:Healthy | Gender:Neutered male | Fasting Status:Fed | Breed:Mixed | Size (S/M/L):Medium
F16Health Status:Healthy | Gender:Neutered male | Fasting Status:Fed | Breed:Mixed | Size (S/M/L):Small
F17Health Status:Healthy | Gender:Neutered male | Fasting Status:Fed | Breed:Shih Tzu | Size (S/M/L):Small
F18Health Status:Healthy | Gender:Spayed female | Fasting Status:Fasted | Breed:Dachshund | Size (S/M/L):Small
F19Health Status:Healthy | Gender:Spayed female | Fasting Status:Fasted | Breed:Labrador retriever | Size (S/M/L):Large
F20Health Status:Healthy | Gender:Spayed female | Fasting Status:Fasted | Breed:Miniature schnauzer | Size (S/M/L):Small
F21Health Status:Healthy | Gender:Spayed female | Fasting Status:Fed | Breed:Labrador retriever | Size (S/M/L):Large
Data matrix
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