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

Reversed phase NEGATIVE ION MODE (Analysis AN000823)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21
Cholic Acid_R1ME1599430.010.522.270.000.700.310.170.412.000.710.060.420.070.340.010.180.070.400.530.0113.71
Cholic Acid_R2ME1599440.000.532.180.000.640.320.160.402.050.730.040.450.070.340.010.130.070.420.450.0013.88
N-ACETYL-L-LEUCINEME1600010.450.380.110.350.920.240.470.558.210.500.791.041.291.290.571.310.370.400.760.312.49
ISOCITRIC ACIDME1599650.440.400.300.821.020.700.491.320.470.620.260.280.290.597.510.390.630.453.890.410.26
Plasmenyl-LysoPE (P-18:1)ME1600120.670.020.010.050.940.751.010.810.221.350.130.450.060.530.061.470.461.720.739.190.08
a-LINOLENIC ACIDME1599290.230.921.690.320.421.140.440.961.580.570.390.210.070.040.122.042.370.730.345.860.73
L-Cysteine-S-SulfateME1599711.531.120.460.560.721.420.760.661.250.780.390.790.400.410.430.501.010.790.626.010.54
Tauroursodeoxycholic acid (T-UDCA)_R1ME1600210.230.010.280.461.290.100.290.491.152.790.710.341.141.351.080.404.941.201.130.172.66
Taurocholic acid (TCA)ME1600190.090.180.060.260.460.660.140.363.561.680.080.090.630.501.661.136.761.530.710.030.88
Taurodeoxycholic Acid (T-DCA)ME1600200.030.010.030.130.510.040.070.453.481.600.090.090.760.231.451.856.622.060.330.021.57
ASCORBIC ACID-2HME1599331.421.680.370.336.481.451.170.600.341.080.760.780.570.360.850.220.950.520.091.180.25
Tauroursodeoxycholic acid (T-UDCA)_R2ME1600220.030.010.010.182.500.140.010.481.240.720.110.360.782.441.930.731.322.180.620.015.42
ALPHA-HYDROXYISOBUTYRIC ACIDME1599310.374.582.373.920.791.870.451.011.100.690.210.220.420.220.320.490.620.330.200.370.25
CITRAMALATEME1599450.316.612.362.530.611.950.501.130.880.120.230.150.380.270.380.520.510.310.220.310.33
NICOTINAMIDEME1600101.030.440.190.670.040.290.540.450.251.210.450.431.501.180.240.610.525.910.800.390.24
Xanthurenic AcidME1600311.110.290.241.050.480.581.301.210.911.090.891.150.520.334.720.752.300.660.420.850.70
CATECHOLME1599410.780.010.300.420.190.630.100.130.090.290.123.922.810.234.990.333.721.160.080.081.71
Catechol SulfateME1599420.980.111.450.980.290.850.430.550.320.420.422.652.170.693.270.212.641.100.450.271.25
Docosahexaenoic Acid (22:6)ME1599530.570.780.100.130.390.161.201.990.353.391.550.130.040.530.120.261.631.452.393.120.13
LysoPE (22:6)ME1599891.720.360.060.070.510.122.581.950.243.240.830.130.081.280.200.301.101.230.933.540.21
3-(2-HYDROXYPHENYL)PROPANOATE_R1ME1599150.190.870.292.410.460.630.230.652.250.230.540.530.971.021.521.711.420.883.880.290.86
3-(2-HYDROXYPHENYL)PROPANOATE_R2ME1599160.940.321.120.980.410.670.720.774.600.300.410.411.220.862.410.401.441.011.600.340.62
Ferulic acid sulfateME1599550.450.010.020.630.650.160.331.370.681.300.451.572.080.981.174.131.551.191.060.051.45
HEXANESULFONIC ACID-SulfateME1599620.330.640.141.260.180.300.430.480.421.840.911.561.941.441.380.150.422.752.100.111.72
INDOXYL SULFATEME1599640.050.280.220.170.540.320.071.350.712.201.090.382.241.561.370.290.461.871.350.633.30
LysoPE (20:4)_R2ME1599880.530.160.690.551.490.293.191.782.311.800.350.710.961.470.270.200.340.810.850.332.05
URIDINEME1600291.262.280.420.950.951.521.870.841.582.500.311.300.201.310.220.421.520.410.470.620.29
Kynurenic AcidME1599661.230.340.320.721.401.320.350.970.660.741.181.181.290.312.682.201.131.290.290.470.35
LysoPE (20:4)_R1ME1599872.170.250.290.181.000.632.441.511.931.340.330.510.851.581.141.480.510.510.340.671.68
LysoPC (18:1)ME1599832.050.240.250.090.820.552.371.161.281.730.570.600.731.080.721.280.470.840.722.761.16
LysoPE (18:1)ME1599861.140.290.230.100.860.721.141.241.651.240.460.701.401.580.911.600.750.750.522.621.35
Arachidonic Acid (20:4)ME1599321.110.390.570.321.040.841.601.411.411.450.600.830.631.050.571.600.761.070.551.741.12
LysoPE (18:0)ME1599851.780.410.330.261.140.491.751.281.591.680.670.770.711.410.661.580.780.800.411.711.21
LysoPE (16:0)ME1599841.400.450.300.211.200.381.531.251.091.870.950.570.671.670.751.380.651.140.601.661.47
Mono-(2-Ethylhexyl) Phthalate DimerME1599941.480.330.390.261.210.481.681.321.371.770.740.660.751.270.831.430.480.960.781.571.47
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONEME1599562.360.791.931.540.531.192.041.071.570.740.710.950.450.560.690.710.730.720.490.620.64
Linoleic Acid (18:2)ME1599750.401.641.300.670.791.310.681.401.961.000.900.590.400.160.352.080.691.050.451.570.86
CITRIC ACID-13C6ME1599471.070.640.620.580.840.900.990.771.060.901.193.110.970.820.910.751.031.100.711.021.22
L-METHIONINEME1599800.601.240.440.651.650.570.591.460.710.990.531.550.681.000.581.702.190.891.300.910.86
N-METHYL-L-GLUTAMATEME1600110.682.060.911.361.111.050.541.200.941.410.720.750.870.571.640.851.790.580.551.130.46
3-SULFINO-L-ALANINEME1599210.470.781.390.690.681.360.450.660.460.900.740.930.810.900.710.751.192.271.531.240.81
SulfoacetaldehydeME1600171.130.441.121.410.750.830.760.900.311.291.291.281.201.170.990.520.151.781.390.990.79
D-SACCHARIC ACIDME1599540.391.131.181.631.150.781.061.682.081.170.370.660.881.210.460.501.780.311.270.401.13
GuanosineME1599610.781.240.671.171.821.490.681.301.721.400.430.430.820.770.690.681.091.120.380.820.59
C6H12O6-HEXOSE/KETOSE/INOSITOLME1599381.051.101.081.490.651.200.891.832.040.880.480.460.490.550.651.161.430.620.480.661.17
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACIDME1599511.401.131.071.820.761.241.291.531.771.090.670.810.540.610.660.660.790.740.640.580.67
GLUCOSE/FRUCTOSE_R1ME1599571.241.231.181.480.661.261.101.621.680.920.750.690.670.680.730.750.650.790.720.800.74
GLUCOSE/FRUCTOSE_R2ME1599581.241.231.181.480.661.261.091.611.680.920.750.690.670.680.730.750.650.790.730.800.74
CARNOSINEME1599401.630.720.900.880.301.011.690.980.620.141.131.160.840.981.361.281.470.800.941.251.14
CITRULLINEME1599482.090.640.880.751.080.791.440.980.890.680.901.620.590.770.931.291.220.851.041.400.55
L-GLUTAMINEME1599731.040.470.670.441.370.681.160.540.500.821.741.851.221.371.061.381.020.991.281.061.13
L-HISTIDINEME1599740.890.070.770.921.120.780.850.820.731.061.151.361.071.331.021.361.500.961.481.071.13
L-TYROSINEME1599811.260.980.450.840.740.751.230.830.661.321.001.481.011.461.351.251.230.771.190.970.87
TryptophanME1600251.190.460.350.941.040.781.050.940.931.230.691.341.291.461.231.011.231.041.640.660.76
N-ACETYL-DL-SERINEME1599971.351.140.721.371.070.791.301.550.761.220.800.990.850.801.200.811.020.830.860.630.76
NALPHA-ACETYL-L-LYSINEME1600020.691.330.681.041.350.710.831.861.240.930.531.061.040.801.450.771.140.850.960.670.68
MALATE_R2ME1599911.120.690.650.981.341.011.061.221.110.880.840.750.810.840.911.010.871.110.931.640.86
LACTATEME1599670.740.670.690.821.751.191.181.151.430.840.590.810.930.780.951.451.001.040.900.920.78
MALATE_R1ME1599900.690.630.570.821.811.231.161.211.680.830.480.740.940.731.001.421.081.040.780.850.80
CYTIDINEME1599501.610.990.890.850.731.640.930.820.650.900.741.180.751.140.821.061.111.130.630.950.89
SUCCINATEME1600151.000.850.840.960.861.200.951.170.860.720.990.660.721.751.010.781.141.170.481.171.17
N-FORMYLGLYCINEME1600091.690.790.950.910.771.050.850.740.601.241.500.881.311.110.971.040.680.851.151.251.04
4-HYDROXYBENZALDEHYDEME1599241.420.731.280.911.311.101.490.580.680.900.941.050.961.010.950.571.320.981.021.270.87
L-CARNITINEME1599690.641.240.990.921.410.910.650.821.151.061.140.780.841.170.801.161.381.011.280.900.97
N-ACETYLGLYCINEME1599981.111.760.810.991.120.711.320.960.710.781.041.280.880.970.981.240.980.891.220.840.86
URATEME1600280.811.160.580.990.841.131.321.010.700.431.070.990.831.261.201.301.220.911.121.070.97
ALLANTOINME1599301.210.680.941.121.071.021.301.050.690.800.810.920.730.731.181.231.360.981.011.140.96
ASPARTATEME1599341.350.860.911.060.880.591.200.910.770.631.091.151.000.991.211.211.341.071.091.061.08
3-methyladipic acidME1599200.831.100.841.081.160.700.901.181.091.110.910.871.190.811.321.081.171.040.840.691.18
LACTATE-dimerME1599680.900.800.780.921.211.091.071.051.180.950.780.941.060.941.021.230.961.080.871.010.95
N-ACETYL-L-ALANINEME1599991.070.990.851.121.390.981.171.220.960.930.741.090.900.861.051.111.200.910.760.730.86
Salicylic Acid-D4ME1600130.921.031.021.000.940.990.960.941.110.911.241.400.930.990.861.020.600.991.051.041.13
SUCCINIC ACID-13C4ME1600161.000.970.860.950.880.861.000.881.380.921.271.710.950.950.890.820.800.941.021.091.17
Tryptophan-2,3,3-D3ME1600260.980.940.860.910.970.960.960.901.310.901.131.490.971.030.940.920.881.031.050.891.07
N-BOC-L-tert-Leucine_R1ME1600050.920.980.970.910.960.970.910.921.300.891.191.540.930.950.890.950.851.060.980.971.03
N-BOC-L-tert-Leucine_R2ME1600060.910.970.970.900.970.970.930.911.310.891.201.540.910.960.870.970.841.051.010.971.03
N-BOC-L-Aspartic Acid_R1ME1600030.981.000.890.890.900.920.970.901.390.891.251.490.921.020.880.900.851.010.991.011.09
N-BOC-L-Aspartic Acid_R2ME1600040.981.000.900.900.910.920.990.901.370.891.261.460.921.010.880.910.861.001.021.031.08
BOC-L-Tyrosine_R1ME1599361.041.081.161.041.061.081.060.960.800.881.160.941.010.980.890.990.670.981.121.130.96
BOC-L-Tyrosine_R2ME1599371.021.071.181.041.091.081.070.960.780.871.170.940.990.970.871.030.680.961.161.150.94
N-BOC-L-Tryptophan_R1ME1600070.921.101.211.071.021.071.190.850.970.971.300.790.880.770.791.060.611.061.031.201.16
N-BOC-L-Tryptophan_R2ME1600080.931.131.181.090.971.071.190.860.980.991.290.800.890.770.821.030.611.071.001.161.17
4-oxoprolineME1599251.220.781.051.191.030.851.230.910.850.751.201.301.021.011.011.160.890.951.010.761.12
GLYCOLATEME1599600.940.931.060.981.010.921.071.020.970.921.101.070.881.071.011.071.030.981.160.900.98
Dinoterb (herbicide)ME1599521.061.040.851.020.841.031.051.051.041.011.001.011.051.061.040.851.061.050.820.911.02
Mono-(2-Ethylhexyl) PhthalateME1599931.011.121.031.200.881.091.140.950.870.851.001.051.071.010.980.931.031.020.940.910.84
Monobutyl phthalateME1599950.820.900.910.890.810.910.900.780.790.760.990.812.030.980.840.940.921.771.020.920.89
N-ACETYL-L-ASPARTIC ACIDME1600000.940.850.370.630.810.660.790.830.540.581.231.020.971.220.961.121.261.681.181.781.40
Caffeic AcidME1599390.701.360.912.170.830.871.440.950.771.051.120.921.420.940.520.980.830.670.840.901.29
3-Hydroxydecanoic acidME1599180.861.532.162.260.641.591.010.781.030.500.830.660.750.540.650.770.970.970.710.750.70
3-tert-Butyladipic acidME1599221.121.311.532.100.830.791.030.910.920.690.870.910.950.700.821.121.191.120.880.620.77
3-UREIDOPROPIONATEME1599230.811.080.791.380.771.541.931.020.980.890.750.730.990.640.480.631.010.932.000.690.48
XANTHINEME1600300.851.850.512.070.591.380.781.021.171.580.380.780.811.010.701.010.520.860.921.360.56
GLYCERIC ACIDME1599590.871.110.852.031.070.950.791.111.281.450.650.880.761.001.001.120.940.870.840.700.81
L-GLUTAMIC ACIDME1599720.571.870.591.561.111.060.850.841.331.540.881.120.630.980.560.731.050.931.200.890.90
TAURINEME1600180.291.180.831.540.941.210.360.970.891.320.571.080.751.010.560.711.571.531.321.030.64
HYPOXANTHINEME1599630.530.850.631.801.141.281.091.030.731.250.321.210.831.190.721.090.811.111.411.100.46
URACILME1600270.850.940.671.760.742.060.920.981.020.850.520.900.460.860.730.940.840.801.750.930.63
ALDOPENTOSEME1599281.250.580.670.890.930.651.101.211.471.110.750.930.700.811.821.192.490.820.530.540.87
CITRATEME1599461.260.490.850.270.871.221.320.890.960.750.770.630.980.611.111.202.221.220.451.501.12
L-KYNURENINEME1599781.510.300.220.600.790.691.170.720.460.620.511.711.651.021.791.401.111.661.360.680.96
LL-2,6-DIAMINOHEPTANEDIOATEME1599790.820.790.930.790.920.420.731.190.700.500.931.541.281.352.060.972.100.771.270.600.96
L-CYSTEIC ACIDME1599701.960.161.540.170.421.250.420.320.801.031.771.800.941.651.120.980.231.371.541.290.29
THREONINE/HOMOSERINE_R1ME1600230.580.770.580.591.310.620.810.680.501.701.051.780.802.200.861.621.230.941.361.040.74
THREONINE/HOMOSERINE_R2ME1600240.220.400.320.131.520.410.990.550.321.671.482.480.112.521.201.611.401.191.761.340.22
CREATINEME1599490.304.100.093.151.691.150.441.120.361.600.350.310.340.300.290.380.870.710.492.750.24
SARCOSINE/BETA-ALANINEME1600140.323.850.103.061.861.130.451.100.371.540.420.360.350.340.290.430.870.710.532.710.27
6-Hydroxycaproic acid_R2ME1599270.224.550.492.481.511.100.261.412.280.210.210.130.640.650.211.530.390.370.780.331.36
MEVALOLACTONEME1599920.302.151.503.560.461.311.030.682.100.180.360.950.280.951.030.241.281.060.430.640.48
L-ISOLEUCINE_R2ME1599770.643.180.841.350.550.931.351.280.811.321.130.530.580.610.470.910.530.930.521.321.10
6-Hydroxycaproic acid_R1ME1599260.672.641.392.100.970.830.601.341.230.350.720.490.801.140.731.260.770.560.830.601.27
AZELAIC ACIDME1599350.533.200.622.781.380.970.800.880.671.080.750.970.790.680.790.970.960.600.570.780.79
N-ACETYL-DL-GLUTAMIC ACIDME1599960.613.490.882.830.650.820.501.661.031.340.470.390.510.620.580.581.220.730.610.620.64
L-ISOLEUCINE_R1ME1599760.763.200.842.160.660.900.711.450.961.580.590.721.020.950.531.080.610.490.670.690.58
L-VALINEME1599820.743.011.022.220.870.870.691.531.291.330.610.690.720.780.671.040.630.520.720.660.47
3-HYDROXY-3-METHYLGLUTARATEME1599170.681.590.892.471.031.700.662.541.810.720.320.320.430.310.470.400.880.530.270.740.47
3-METHYL-2-OXOVALERIC ACIDME1599190.552.850.661.831.951.410.521.931.190.980.190.330.460.330.440.461.500.510.361.180.52

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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