Clustering data with hclust algorithm for (Study ST003032)

HILIC NEGATIVE ION MODE (Analysis AN004972)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24
mannitol/sorbitolME7822953.013.063.022.953.163.172.163.140.050.050.050.050.050.050.050.050.050.050.050.050.050.050.060.05
2,3-dimethylsuccinateME7822280.200.210.220.220.220.230.230.232.532.532.562.582.512.562.482.560.220.230.240.220.220.230.220.22
2-isopropylmalateME7822330.420.400.380.410.410.383.620.400.400.400.400.400.400.380.410.420.400.390.390.410.390.403.610.40
salicylateME7823160.270.240.260.280.260.254.250.280.260.250.250.260.260.270.240.270.270.240.240.290.240.244.170.25
isocitric lactoneME7822890.921.420.930.912.302.241.582.190.620.650.810.660.650.640.750.860.640.860.710.660.850.600.910.68
mannoseME7822961.861.941.712.061.932.001.542.250.480.470.540.420.450.480.460.480.470.460.420.450.460.530.580.50
N-carbamoylaspartateME7823030.471.930.471.600.560.460.982.020.470.441.490.431.400.480.850.780.551.530.461.040.980.501.521.71
glucarate (saccharate)ME7822770.220.220.240.280.310.231.260.261.101.201.260.801.020.901.030.931.211.171.081.251.111.221.651.51
galactonateME7822750.250.210.200.220.220.220.700.221.331.501.301.171.271.341.301.351.151.211.261.221.251.291.711.27
gluconateME7822780.140.130.130.140.130.121.130.141.101.111.201.181.211.151.191.231.171.281.251.251.261.111.651.16
galacturonateME7822760.460.340.330.360.330.410.810.371.161.091.501.081.131.051.181.071.191.030.931.640.931.551.491.14
glucuronateME7822800.380.390.400.410.440.450.840.431.151.161.311.241.201.141.271.341.221.301.211.331.241.201.271.19
2-hydroxyadipateME7822300.580.570.560.600.550.560.770.551.271.291.251.261.151.251.211.171.131.081.201.181.131.111.201.20
chiro-inositolME7822650.630.550.590.580.710.640.890.541.231.321.241.001.131.151.241.061.091.101.051.111.171.061.311.07
arabonate/xylonateME7822630.430.430.440.440.450.401.040.421.141.151.181.181.131.161.151.151.171.171.181.191.151.131.501.17
3-hydroxy-3-methylglutarateME7822390.550.580.570.570.580.561.140.581.021.061.211.081.121.081.131.221.041.211.201.161.211.021.241.16
gulonate*ME7822870.540.530.540.550.560.500.970.581.051.181.221.181.131.211.111.221.181.161.151.061.141.091.381.07
tricarballylateME7823230.931.111.450.910.840.841.141.290.941.210.740.480.810.760.820.441.480.681.001.261.351.501.190.70
succinateME7823200.710.661.090.810.680.860.820.761.230.960.891.060.930.911.321.581.521.490.811.090.851.490.910.83
2,3-dihydroxyisovalerateME7822270.740.750.740.760.740.762.070.770.760.760.770.750.720.740.750.740.750.730.740.760.740.742.090.78
5-acetylamino-6-formylamino-3-methyluracilME7822540.760.710.790.730.750.692.220.710.640.660.660.650.630.650.660.650.800.830.810.760.780.742.230.77
citraconate/glutaconateME7822660.910.880.890.900.870.911.600.900.870.890.890.870.840.870.880.850.830.830.870.830.780.831.560.86
erythritolME7822700.850.870.880.860.830.881.610.890.860.860.870.860.840.850.850.850.880.850.860.870.870.841.590.86
fructoseME7822730.620.620.800.630.770.691.690.580.890.860.940.910.840.861.010.921.050.781.030.920.820.871.610.78
sucroseME7823210.620.620.600.590.590.601.780.620.860.960.870.870.870.870.850.860.850.870.870.880.880.882.040.88
2-oxoadipateME7822351.261.281.311.071.261.291.581.220.700.780.760.720.690.760.760.740.790.760.840.720.760.811.280.76
alpha-ketoglutarateME7822601.051.101.130.981.141.081.591.030.750.820.870.740.780.820.840.850.790.900.930.770.830.811.340.86
cysteine s-sulfateME7822671.301.401.311.261.331.301.221.280.820.830.850.820.860.850.810.820.820.840.800.840.900.840.960.84
glycerophosphoglycerolME7822841.511.491.431.381.381.451.411.450.750.770.800.780.730.780.810.810.690.740.690.720.730.690.910.75
hypotaurineME7822880.930.661.330.871.041.041.110.830.911.001.130.900.911.150.910.991.030.891.060.910.990.931.141.21
allantoic acidME7822571.221.131.111.131.151.171.111.170.920.920.910.910.930.940.920.920.860.940.930.920.860.850.980.95
threonateME7823221.221.201.171.231.161.241.131.190.880.870.880.960.910.920.860.920.890.870.910.980.880.810.930.86
2-keto-3-deoxy-gluconateME7822341.031.131.031.051.021.061.231.110.930.861.000.930.880.780.890.920.840.910.880.950.920.901.180.92
pyruvateME7823111.091.141.101.061.071.071.341.050.940.900.880.850.790.890.910.890.880.870.930.800.800.891.210.90
ribonateME7823141.111.141.111.101.071.131.291.170.900.880.870.900.900.890.870.910.850.840.850.910.860.811.130.86
ribulonate/xylulonate*ME7823151.111.101.091.121.101.131.371.130.860.830.840.880.850.830.830.860.870.850.850.890.870.811.200.86
glutarate (C5-DC)ME7822810.970.950.881.110.980.960.920.971.051.061.061.081.031.010.960.991.020.920.881.051.000.981.021.05
3-hydroxy-2-methylbutyrateME7822381.021.080.991.011.101.011.001.211.031.011.061.141.141.141.071.160.930.900.900.810.850.890.880.90
2-hydroxybutyrate/2-hydroxyisobutyrateME7822311.051.051.021.061.031.071.091.061.021.051.071.031.031.031.041.040.860.880.870.910.860.890.970.88
alpha-hydroxyisovalerateME7822590.961.010.981.020.980.991.051.011.051.091.101.071.061.061.071.080.880.900.890.940.890.890.970.90
dihydroorotateME7822680.961.040.871.090.931.041.130.931.071.090.870.880.880.950.870.831.180.910.871.041.050.961.140.96
3-hydroxyphenylacetateME7822420.970.971.061.070.901.081.280.960.800.930.870.880.960.920.910.930.881.070.910.990.801.001.190.92
glycolate (hydroxyacetate)ME7822850.900.880.961.000.871.021.260.940.990.990.960.990.831.040.870.910.840.910.861.000.940.941.230.99
xyloseME7823240.910.960.910.990.901.001.231.010.880.960.990.990.900.950.980.920.940.980.890.900.830.951.260.93
N-methyltaurineME7823040.930.950.930.910.900.921.390.960.900.910.900.890.870.920.870.910.921.001.040.930.920.861.340.88
quinateME7823120.940.900.910.910.890.941.320.900.920.930.930.930.920.940.920.940.910.940.930.930.910.921.340.94
arabinoseME7822610.981.031.030.991.021.061.141.070.961.050.980.950.871.031.020.981.020.820.960.930.860.891.080.96
3-hydroxybutyrate (BHBA)ME7822401.041.061.061.031.001.061.241.050.990.960.970.990.930.981.000.990.870.780.850.870.860.791.140.84
5-acetylamino-6-amino-3-methyluracilME7822531.021.021.051.040.980.971.181.030.910.990.960.960.920.970.960.990.920.960.910.960.880.921.110.90
3-hydroxyisobutyrateME7822411.001.001.001.010.981.021.211.041.001.001.010.990.940.980.990.960.920.860.890.930.860.871.110.89
3-hydroxy-2-ethylpropionateME7822370.991.001.000.990.951.021.241.000.970.960.980.980.940.960.960.980.910.880.920.930.880.871.160.88
lactateME7822901.000.991.000.980.961.001.201.010.980.960.960.990.981.000.970.980.910.900.930.950.890.871.150.89
3-methyl-2-oxobutyrateME7822451.021.041.080.981.071.081.210.920.920.991.020.920.890.960.981.000.890.900.940.890.900.821.150.91
orotidineME7823081.071.041.071.041.041.081.211.080.930.950.940.940.890.930.920.930.930.900.950.940.920.881.100.92
phenylacetylglutamateME7823091.061.071.071.081.061.081.211.060.900.930.930.930.880.930.920.940.900.910.930.930.920.881.090.94
guanidinosuccinateME7822860.860.900.920.900.850.881.140.921.020.991.030.960.920.970.981.031.030.980.971.041.001.051.161.03
sedoheptuloseME7823181.050.871.000.900.910.931.090.910.991.011.010.980.950.991.011.030.980.990.981.020.970.961.141.01
allantoinME7822580.920.950.990.940.890.891.120.920.941.030.990.960.980.970.980.990.931.050.971.031.020.981.130.97
arabitol/xylitolME7822620.890.920.930.900.900.921.080.941.020.991.011.030.981.010.991.011.001.011.011.021.010.981.111.01
maleateME7822920.940.910.950.930.900.941.140.931.000.980.991.000.950.990.970.960.980.960.991.000.960.961.170.97
suberate (C8-DC)ME7823190.930.900.920.890.890.931.120.910.970.980.981.020.981.000.980.961.040.991.031.010.970.961.180.97
N-acetylserineME7823010.910.980.981.060.971.021.051.011.001.040.990.960.931.050.971.010.921.000.970.960.991.031.041.00
glycerateME7822821.041.010.981.050.991.021.001.041.001.021.011.050.991.011.011.020.950.950.951.050.950.930.960.96
N-carbamoylalanineME7823020.951.000.981.000.981.000.980.990.991.011.051.000.981.011.021.021.001.001.011.030.970.971.001.02
mesaconate (methylfumarate)ME7822971.050.911.041.020.991.081.101.000.970.940.900.960.930.960.960.891.050.980.981.000.961.031.051.02
3-hydroxysebacateME7822440.950.950.940.920.930.981.210.970.950.930.930.970.940.950.940.940.980.960.990.970.960.931.220.94
3-methylglutaconateME7822470.991.020.991.010.971.011.161.020.950.940.950.960.920.960.940.950.960.970.970.970.960.941.110.95
caffeic acid sulfateME7822640.991.030.981.010.980.991.071.010.970.980.980.990.960.980.970.980.950.970.951.001.030.961.060.97
erythronate*ME7822711.031.010.990.991.001.011.071.010.980.960.960.990.970.990.970.961.010.981.021.000.970.961.040.95
orotateME7823071.011.001.030.990.971.001.091.010.960.980.950.970.980.990.950.980.980.981.011.000.960.951.070.97
2-hydroxyphenylacetateME7822320.960.960.921.000.960.991.120.990.991.000.980.960.970.980.961.020.960.970.960.980.950.941.121.00
mandelateME7822940.970.940.960.970.950.981.140.990.980.990.890.970.990.980.950.971.030.940.990.990.980.981.140.92
3-hydroxypropanoateME7822430.870.970.880.910.960.931.220.891.031.000.991.120.901.011.051.100.950.941.000.950.860.891.080.85
dimethylmalonic acidME7822690.770.950.910.970.970.951.100.871.040.930.931.000.921.130.991.070.930.990.971.051.100.921.120.98
3-methylglutarate/2-methylglutarateME7822480.710.690.700.760.660.680.920.701.271.271.291.291.241.331.261.250.870.930.920.940.930.861.150.98
malonateME7822930.730.820.810.730.740.720.690.771.381.211.281.251.201.101.261.221.031.001.061.121.061.041.001.05
5-(galactosylhydroxy)-L-lysineME7822520.690.700.710.720.710.701.050.710.960.960.940.951.000.940.940.961.221.261.241.201.271.141.311.19
3-methyladipateME7822460.830.840.860.830.840.881.200.801.030.961.021.050.931.010.960.941.020.981.060.970.990.981.290.94
pimelate (C7-DC)ME7823100.810.830.840.820.790.751.250.850.990.950.950.890.960.970.940.970.981.021.130.990.970.941.360.99
fumarateME7822740.810.880.900.850.790.821.000.841.001.071.031.021.051.051.060.971.121.031.121.111.030.931.121.10
ribitolME7823130.850.870.860.900.890.861.060.900.981.061.070.990.991.011.011.100.941.040.961.031.040.981.151.10
adipate (C6-DC)ME7822560.780.810.870.840.830.881.070.801.061.041.041.051.021.051.041.031.031.071.021.031.021.011.151.03
2-aminoadipateME7822290.840.850.870.840.820.840.980.841.051.071.041.040.971.031.041.011.081.041.061.071.031.071.161.08
N6-acetyllysineME7823060.870.890.870.860.850.861.040.881.031.041.021.041.001.031.031.041.021.031.021.041.031.011.151.02
4-imidazoleacetateME7822500.800.810.790.890.820.830.940.861.131.011.031.201.091.051.031.091.051.031.061.121.081.031.041.04
4-ureidobutyrateME7822510.880.880.880.880.880.860.940.881.111.121.091.121.091.081.081.071.001.000.991.061.001.001.021.00
6-sialyl-N-acetyllactosamineME7822550.760.810.710.780.750.751.020.850.930.921.100.941.201.021.001.031.021.100.971.071.041.031.361.33
3-sialyllactoseME7822490.740.730.720.720.700.701.020.721.010.951.050.991.091.031.061.071.081.091.021.081.071.121.371.21
myo-inositolME7823000.730.700.780.700.710.751.050.711.001.071.130.921.021.071.071.120.991.030.981.021.141.081.411.20
lactoseME7822910.710.690.780.740.790.801.150.751.051.041.011.020.921.041.091.081.101.071.011.050.971.071.281.09
ethylmalonateME7822720.770.750.740.750.730.731.110.771.051.011.011.061.031.041.030.991.091.041.081.091.031.041.300.99
glycerophosphoethanolamineME7822830.710.780.720.700.760.781.130.750.991.041.060.971.041.051.051.021.021.081.131.041.101.031.311.07
methylmalonate (MMA)ME7822980.670.740.740.710.740.760.910.751.111.121.221.151.141.091.171.201.011.111.121.091.111.021.081.09
scyllo-inositolME7823170.720.660.660.660.680.680.910.681.181.161.051.171.071.101.111.051.191.141.231.151.071.131.191.07
3^-a-sialyl-N-acetyllactosamineME7822360.700.690.720.680.690.690.970.691.061.081.081.081.081.081.091.081.121.101.111.141.071.091.291.08
glucoseME7822790.640.670.650.660.650.671.010.661.091.111.111.091.091.081.081.091.091.091.111.151.111.071.301.12
methylsuccinateME7822990.700.740.690.740.700.720.860.771.111.101.131.131.101.141.101.101.121.151.101.171.051.111.141.19
N2-acetyllysineME7823050.740.760.750.760.740.750.970.771.091.081.111.071.061.081.071.081.101.081.071.101.081.071.191.11

Factors:

F1preservative:Borate | fridge_store_time:0 | thaw:1 fridge
F2preservative:Borate | fridge_store_time:0 | thaw:1 ice
F3preservative:Borate | fridge_store_time:0 | thaw:1 RT
F4preservative:Borate | fridge_store_time:0 | thaw:4 fridge
F5preservative:Borate | fridge_store_time:0 | thaw:4 ice
F6preservative:Borate | fridge_store_time:0 | thaw:4 RT
F7preservative:Borate | fridge_store_time:0 | thaw:none
F8preservative:Borate | fridge_store_time:24 | thaw:none
F9preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge
F10preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice
F11preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT
F12preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge
F13preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice
F14preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT
F15preservative:chlorhexidine | fridge_store_time:0 | thaw:none
F16preservative:chlorhexidine | fridge_store_time:24 | thaw:none
F17preservative:none | fridge_store_time:0 | thaw:1 fridge
F18preservative:none | fridge_store_time:0 | thaw:1 ice
F19preservative:none | fridge_store_time:0 | thaw:1 RT
F20preservative:none | fridge_store_time:0 | thaw:4 fridge
F21preservative:none | fridge_store_time:0 | thaw:4 ice
F22preservative:none | fridge_store_time:0 | thaw:4 RT
F23preservative:none | fridge_store_time:0 | thaw:none
F24preservative:none | fridge_store_time:24 | thaw:none
Data matrix
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