Clustering data with hclust algorithm for (Study ST002082)

Reversed phase POSITIVE ION MODE (Analysis AN003397)
MetaboliteStructureF1F2F3F4F5F6
UBRM_1.86_230.1276ME4834020.841.050.840.735.971.22
AgmatineME4832600.760.820.620.70NA2.82
TheophyllineME4833580.270.770.362.150.603.02
10-hydroxy capric acidME4831680.710.252.780.26NA0.41
p-Coumaric acidME4833940.300.692.931.75NA1.07
L-AnserineME4831670.591.090.820.613.771.89
CaffeineME4833610.511.460.830.602.130.97
ParaxanthineME4833590.561.161.030.652.191.15
?-Aminobutryic acidME4832411.730.510.322.900.410.39
2-Amino-6-(benzylthio)purineME4831820.820.910.642.710.160.63
XanthineME4832620.880.560.853.570.100.46
UBRM_4.24_278.1267ME4834002.010.410.311.200.061.45
CreatineME4832392.420.211.251.400.050.18
DihydrouracilME4832282.260.241.321.500.060.21
Caffeic AcidME4833952.320.540.690.810.250.60
HistamineME4832732.600.450.670.90NA0.43
Ethylmalonic acidME4832711.670.740.710.701.651.19
TyramineME4833651.690.560.600.831.351.78
2-hydroxy-4- (methylthio) butyric acidME4832480.580.920.931.480.821.88
Norepinephrine (noradrenaline)ME4833680.501.021.071.100.121.77
CadaverineME4832591.341.020.670.670.211.59
CortisolME4831991.460.950.410.15NA1.57
3-Hydroxyanthranilic acidME4833561.790.790.660.750.710.88
Methyl acetoacetateME4832691.820.940.360.470.341.05
2,3-Pyridinedicarboxylic acidME4833511.980.950.470.520.280.53
3-Methoxy-4-hydroxyphenylethylene glycolME4833861.990.980.510.73NA0.34
CorticosteroneME4831981.510.770.370.57NA0.48
(±)-MevalonolactoneME4832841.610.720.310.44NA0.88
3-Hydroxy-DL-kynurenineME4831581.091.490.490.590.050.57
KynurenineME4831571.101.410.410.690.150.70
5^-DeoxyadenosineME4831621.250.960.401.080.140.67
1-MethyladenosineME4831781.391.080.720.890.390.53
2-Aminoethylphosphonic acidME4832091.621.000.551.110.470.37
3-Amino-4-hydroxybenzoic acidME4833571.640.410.451.33NA0.41
DL-3-amino-isobutanoic acidME4832401.630.600.591.930.470.84
PutrescineME4832231.710.580.641.780.580.76
2-(4-Hydroxyphenyl)ethanol (tyrosol)ME4833621.660.710.701.290.250.87
desoxycorticosterone acetateME4832011.630.800.451.470.340.82
Cholic acidME4832021.330.800.531.660.250.68
Riboflavin (Vitamin B2)ME4831951.400.920.541.390.110.85
HypoxanthineME4832611.160.791.031.810.420.63
SpermidineME4833501.190.811.011.670.150.67
3-Hydroxyphenylacetic acidME4833771.070.611.491.500.321.04
UBRM_1.87_307.1174ME4834090.980.731.171.760.221.04
LumichromeME4831810.710.960.991.80NA0.93
S-(Carboxymethyl)-L-cysteineME4832820.621.010.712.200.021.06
L-LysineME4833241.090.740.752.080.371.05
PterineME4833311.060.870.581.95NA0.58
Homocysteine thiolactoneME4832340.671.360.611.450.330.66
UBRM_1.43_250.1063ME4834120.551.600.740.370.610.82
2-AminophenolME4833370.461.620.660.970.260.57
Indole-3-acetamideME4831550.471.560.570.760.311.08
L-DopaME4833840.481.320.980.970.521.05
L-CysteineME4832150.371.421.041.070.360.79
TrigonellineME4833540.431.440.950.850.300.94
Picolinic acidME4833331.370.601.370.671.541.33
N-Methyl-D-aspartic acidME4832791.240.591.580.981.091.06
L-GlutamateME4832781.250.591.580.981.101.06
O-AcetylserineME4832801.250.591.580.981.101.05
CarnitineME4833491.310.581.441.120.091.10
D-Aspartic acidME4832331.230.561.571.150.591.09
L-Aspartic AcidME4832321.230.561.571.150.601.09
Acetyl-L-tyrosineME4831760.680.841.611.000.541.31
3-O-Methyl-L-DOPAME4831650.920.871.421.170.290.88
IsocitrateME4833400.561.101.261.150.241.09
CitrullineME4833111.000.871.050.840.511.56
2-DeoxyglucoseME4833001.260.811.160.570.671.32
DulcitolME4833281.210.821.160.570.621.40
D-MannitolME4833291.200.821.160.570.621.39
D-SorbitolME4833301.200.821.160.570.621.39
GlucuronolactoneME4833390.821.070.751.040.531.48
L-Ascorbic acidME4833380.761.100.661.070.441.64
D-Saccharic acidME4832910.870.940.770.830.671.95
salsolinolME4831641.150.770.800.930.801.76
N-Acetyl-DL-tryptophanME4831930.790.941.171.531.270.87
UBRM_1.23_287.1583ME4834041.110.661.101.511.011.25
4-Quinolinecarboxylic acidME4831700.891.270.690.920.530.88
L-HistidinolME4832931.121.240.630.730.600.78
Flavin adenine dinucleotide (FAD)ME4832050.881.171.010.690.261.03
3,4-Dihydroxybenzoic acidME4833531.041.110.781.080.320.85
GlycineME4832061.041.030.911.010.230.99
Guanidineacetic acidME4832120.760.981.101.490.580.97
Citramalic acidME4832720.990.920.911.600.620.85
UracilME4832251.010.850.881.580.721.11
N-MethylhistamineME4832921.220.791.161.400.300.71
XanthosineME4831601.250.910.971.250.320.70
UBRM_1.47_228.1112ME4834131.330.711.121.110.461.09
HydroxylysineME4833251.280.750.981.300.341.07
UBRM_3.23_244.1423ME4834031.200.781.091.330.310.94
L-AsparagineME4832351.090.990.981.070.380.87
L-PhenylalanineME4833821.180.901.011.100.400.91
cAMPME4831611.120.990.851.230.480.85
L-HistidineME4833411.080.960.991.230.430.83
UBRM_1.68_342.1566ME4834081.160.871.131.020.510.95
3,4-Dihydroxyphenyl ethanol (DOPET)ME4833631.220.791.081.260.520.94
L-2-Aminoadipic acidME4832971.070.871.161.240.460.91
N-Methyl-L-glutamateME4832981.070.871.161.230.470.91
UBRM_4.63_777.3609ME4834051.200.721.241.370.620.86
L-CystineME4832991.130.830.981.410.660.94
R-(-)-Mandelic acidME4833761.200.870.951.350.550.83
2-Amino-1-PhenylethanolME4833661.180.970.781.350.400.78
DeoxyadenosineME4831631.261.010.681.400.370.60
3-MethoxytyramineME4833890.911.051.031.280.430.76
5^-Deoxy-5^-(methylthio)adenosineME4831770.871.200.741.300.360.73
Pantothenic AcidME4833930.881.080.821.510.440.82
KetoleucineME4832851.280.890.661.340.611.00
O-PhosphorylethanolamineME4832101.161.020.651.350.980.80
AHBAME4833551.300.930.721.250.880.82
CytidineME4833881.200.930.861.260.800.82
CarnosineME4833911.390.920.791.020.960.78
CortexoloneME4831971.490.890.820.900.790.77
Kynurenic acidME4831711.570.930.660.990.930.61
METHYL BETA-D-GALACTOSIDEME4833481.451.020.730.830.870.62
AllotetrahydrocortisolME4832001.430.830.931.070.550.79
N-acetylaspartateME4833421.400.850.891.080.670.82
Prephenic acidME4831561.241.050.820.860.700.78
Vanillylmandelic acidME4833811.191.000.871.020.670.80
N-Acetylneuraminic AcidME4831791.250.920.840.960.521.05
Dehydroascorbic acidME4833351.260.900.831.130.640.94
L-MethionineME4832521.260.940.841.030.700.91
D-Glucuronic acidME4832901.390.841.070.720.720.93
Methylmalonic acidME4832291.420.760.901.010.851.11
Imidazoleacetic acidME4832651.100.991.101.000.820.72
L-AlanineME4832130.970.931.191.040.850.98
SarcosineME4832140.970.931.201.040.850.98
LactoseME4831850.970.931.121.260.810.88
a,a-TrehaloseME4831840.960.941.121.240.800.88
MelibioseME4831870.970.941.111.240.790.89
6-Deoxy-L-galactoseME4833011.010.941.071.110.661.00
L-SerineME4832160.941.031.091.090.710.83
AcetoinME4832381.011.090.930.801.010.96
CreatinineME4832300.931.080.950.920.951.02
BetaineME4832550.911.091.070.870.850.93
D-Erythrose 4-phosphateME4832450.881.051.020.980.811.08
InosineME4831591.160.920.941.040.791.02
1-methylhistidineME4833431.081.030.891.050.830.86
N-Acetyl-L-alanineME4832771.081.030.831.060.840.95
2-hydroxypyridineME4832641.210.930.890.880.911.09
N-AcetylputrescineME4833231.200.920.881.080.950.98
5-MethylcytosineME4832671.090.980.901.030.951.02
12-Hydroxydodecanoic acidME4831911.150.930.901.011.021.06
Niacin (Nicotinic acid)ME4833321.100.930.980.971.011.06
5-Hydroxyindoleacetic acidME4831731.051.020.941.001.010.92
Valeric acidME4832471.000.971.031.031.051.04
3-Sulfino-L-alanineME4832170.931.090.780.940.861.21
N-Acetyl-L-glutamic acidME4833441.090.940.841.090.901.19
AdenineME4832630.910.970.911.200.871.22
PhosphocreatineME4832200.990.871.011.240.821.21
UBRM_1.62_172.0855ME4833980.970.881.041.321.051.09
Glycerol 2-phosphateME4832190.901.030.841.321.041.00
Glyceryl phosphateME4832180.901.050.841.290.930.96
Hippuric acidME4833960.851.071.081.121.300.83
Quinic acidME4833460.950.961.091.091.201.01
4-acetamidobutanoateME4832961.240.840.981.111.140.96
Guanidinosuccinic AcidME4832741.190.851.081.191.180.74
Pyroglutamic acidME4832681.060.961.061.131.180.79
ThymidineME4831661.060.980.931.151.120.90
L-TryptophanME4831750.910.871.021.330.301.30
UBRM_1.38_260.1007ME4834111.160.701.041.170.511.42
S-(5-ADENOSYL)-L-METHIONINEME4831940.791.031.120.820.931.34
HypotaurineME4832070.770.991.051.110.721.31
L-ArginineME4833260.830.941.171.040.681.26
RibitolME4832571.140.891.030.820.411.24
L-(-)-ArabitolME4832581.110.901.010.900.501.22
XylitolME4832561.090.911.020.890.501.23
4-Hydroxy-L-phenylglycineME4833791.130.921.020.830.731.15
Glucosaminic acidME4833171.100.990.900.890.681.09
3-MethyladenineME4833360.971.040.721.390.740.97
Glycocholic AcidME4832041.001.000.821.280.621.03
Dihydroxyphenylacetic acidME4833780.951.000.751.220.681.26
GlutamineME4832460.911.070.681.310.841.12
1-Aminocyclopropane-1-carboxylic acidME4832311.030.870.941.250.621.24
UBRM_1.3_202.0956ME4834011.040.880.931.230.641.23
L-ThreonineME4832431.090.870.991.140.541.17
AllothreonineME4832441.090.870.991.140.531.17
DL-HomoserineME4832421.090.870.991.140.531.17
D-OrnithineME4832531.170.870.881.180.591.15
L-OrnithineME4832541.170.860.881.190.591.14
L-TyrosineME4833830.850.961.021.230.411.22
MaleimideME4832240.950.981.001.170.471.06
5(d)-Aminolevulinic AcidME4832751.000.900.991.260.461.16
cis-4-Hydroxy-D-prolineME4832761.000.890.991.260.451.16
ButanalME4832370.961.110.741.190.470.94
4-Pyridoxic acidME4833800.871.070.851.230.511.06
Quinaldic acidME4831690.901.050.911.210.461.02
3-Ureidopropionic acidME4832360.941.030.941.060.561.07
N-Acetyl-ß-D-mannosamineME4833711.001.030.881.020.641.08
a-N-AcetylglucosamineME4833721.001.030.881.020.641.08
N-Acetyl-D-galactosamineME4833731.001.030.881.020.641.08
D-(+)-XyloseME4832490.981.040.890.980.571.11
D-(-)-LyxoseME4832500.981.040.890.980.571.11
D-RiboseME4832510.981.040.890.980.571.11
Gluconic acidME4833100.921.140.791.010.611.03
UridineME4833850.941.120.890.900.561.01
GulonolactoneME4832890.991.060.821.040.781.06
N-ALPHA-ACETYL-L-ASPARAGINEME4832830.891.040.891.130.721.14
3-(3-Indolyl)-2-oxopropanoic acidME4831801.120.871.120.742.071.18
RaffinoseME4831961.030.891.271.061.940.80
StachyoseME4832031.190.880.951.191.560.85
D-Glucosamine 6-phosphateME4833270.701.280.950.450.771.28
Hydroxyhippuric acidME4833970.461.320.890.701.151.42
Maleamic acidME4832270.901.040.960.871.751.16
DL-pipecolic acidME4832940.691.160.980.841.611.20
L-Pipecolic acidME4832950.701.160.970.841.651.21
Methyl N-(a-methylbutyryl)glycineME4833920.681.140.821.111.731.23
TheobromineME4833600.501.290.790.901.691.24
UBRM_1.84_174.1004ME4833990.621.320.641.231.191.04
NormetanephrineME4833901.021.220.710.820.890.82
PhenylethylamineME4833641.091.190.710.701.160.88
Xanthurenic acidME4831721.031.140.890.771.120.84
p-Hydroxyphenylacetic acidME4833751.051.050.640.931.391.26
DiethanolamineME4832220.811.240.720.951.231.02
DopamineME4833670.761.200.840.851.391.13
Diethyl fumarate HT-1ME4833691.061.060.840.991.120.90
UBRM_6.31_282.0983ME4834101.121.070.800.941.230.86
DeoxycytidineME4833870.981.120.820.931.310.98
N-Acetyl-DL-serineME4832811.001.040.860.971.421.06
GlycylprolylhydroxyprolineME4831831.450.342.250.950.410.58
Itaconic acidME4832660.811.121.600.440.390.55
HomocystineME4833741.440.710.861.100.221.24
UBRM_5.79_1540.7517ME4834141.680.581.081.020.360.97
UBRM_3.79_439.2055ME4834071.540.741.050.84NA0.76
UBRM_3.72_609.2743ME4834061.520.691.121.230.020.70
UBRM_4.32_1250.5524ME4834151.440.691.111.120.240.92
L-IsoleucineME4833121.510.800.991.010.250.72
L-LeucineME4833131.420.820.981.180.210.74
a-D-Galactose 1-phosphateME4833191.880.511.291.010.680.50
L-CystathionineME4833471.600.581.390.970.760.70
N1-AcetylspermineME4831922.110.540.940.930.650.53
5-MethoxyindoleacetateME4831741.870.601.020.960.350.68
Adipic acidME4832881.860.701.020.860.300.52
PyrocatecholME4833341.830.670.970.960.260.52
Suberic acidME4833701.660.780.871.070.530.59
2-Methylglutaric acidME4832871.790.630.961.250.400.52
3-Methylglutaric acidME4832861.790.640.971.220.400.50
D-GalactosamineME4833161.690.591.840.440.270.42
D-MANNOSAMINEME4833141.700.581.840.450.260.42
GlucosamineME4833151.700.581.830.450.260.42
D-Glucose 6-phosphateME4833181.800.501.630.890.400.36
a-D-Glucose 1-phosphateME4833221.790.501.630.880.430.37
D-Fructose 6-phosphateME4833211.810.501.610.870.420.37
D-Mannose 6-phosphateME4833201.800.501.630.860.420.36
CytosineME4832261.760.651.480.600.220.48
GlyceraldehydeME4832111.460.811.380.580.230.62
a-D-GlucoseME4833051.490.791.410.560.220.61
D-TagatoseME4833071.490.791.420.560.220.61
myo-InositolME4833031.490.801.400.570.220.62
L-(-)SorboseME4833021.490.801.400.570.220.62
AlloseME4833061.490.801.400.570.220.62
D-(+)-MannoseME4833041.490.801.400.570.220.62
D-GalactoseME4833081.500.801.390.570.220.61
D-PSICOSEME4833091.500.801.390.570.220.61
Pimelic acidME4833451.210.951.110.900.500.74
TaurineME4832081.280.951.130.960.560.51
mono-Ethyl malonateME4832701.090.721.630.770.491.11
ErythritolME4832211.310.811.440.740.420.70
D-(+)-CellobioseME4831901.220.791.380.840.500.91
SucroseME4831861.210.801.380.840.520.91
MaltoseME4831881.220.791.380.840.520.91
PalatinoseME4831891.220.801.380.840.520.91

Factors:

F1Time before death (weeks):1
F2Time before death (weeks):12+
F3Time before death (weeks):2
F4Time before death (weeks):3
F5Time before death (weeks):4
F6Time before death (weeks):4+
Data matrix
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