Clustering data with hclust algorithm for (Study ST000957)

(Analysis AN001570)
MetaboliteStructureF1F2F3
L-Leucine 13C6_R2ME2371591.25NA0.49
L-CystineME2371482.040.420.54
LysoPE (18:1)_R2ME2371752.090.230.94
LysoPC (18:2)ME2371711.820.300.88
LysoPE (18:1)_R1ME2371741.690.211.13
LysoPE (22:6)ME2371761.770.341.09
L-Leucine-D10_R2ME2371610.431.600.35
PYRIDINE-2,3-DICARBOXYLATEME2372040.631.251.12
URATEME2372180.591.291.13
L-IsoleucineME2371530.611.251.15
L-LEUCINE_R1ME2371560.591.261.15
L-LEUCINE_R2ME2371570.631.231.14
5,6-DIHYDROURACILME2370680.611.231.16
CREATINEME2371000.621.211.17
ALANINE/SARCOSINE_R2ME2370790.631.221.16
PhenylalanineME2371990.621.221.16
a-Ketoglutaric AcidME2370770.641.171.19
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATEME2370820.641.161.20
TrigonellineME2372130.661.181.16
CREATININEME2371030.641.201.15
5-OXO-L-PROLINEME2370730.641.191.17
4-AMINOBUTANOATE (GABA)_R2ME2370660.631.191.18
L-CARNITINEME2371460.631.191.17
5-HYDROXY-L-TRYPTOPHAN_R1ME2370700.591.191.22
5-HYDROXY-L-TRYPTOPHAN_R2ME2370710.591.231.17
NICOTINAMIDE-N-OXIDEME2371930.571.231.20
Pantothenic AcidME2371980.581.221.19
Glutathione DisulfideME2371130.671.211.13
5-Hydroxymethyl-2-furaldehydeME2370720.681.201.12
L-GLUTAMINEME2371510.681.201.11
5-AMINOLEVULINIC ACIDME2370690.691.161.15
CholineME2370960.681.181.14
L-PROLINEME2371660.701.171.13
2-hydroxyglutarate+NaME2370600.741.181.08
CMP_R1ME2370980.741.171.09
CYTOSINEME2371070.731.171.11
QUINATE_R1ME2372060.711.191.10
THREONINE/HOMOSERINEME2372120.711.181.11
N-BOC-L-Aspartic Acid_R2ME2371860.741.121.14
4-AMINOBUTANOATE (GABA)_R1ME2370650.731.151.12
4-GUANIDINOBUTANOATEME2370670.741.151.10
GlycerophosphocholineME2371140.741.151.11
ALANINE/SARCOSINE_R1ME2370780.741.141.12
PHOSPHOCHOLINEME2372000.741.141.11
CITRULLINEME2370970.821.051.13
L-LYSINE_R2ME2371630.701.101.20
GLUCOSAMINE/MANNOSAMINEME2371120.751.091.16
GUANINE_R1ME2371290.771.091.15
SPERMINEME2372090.611.011.38
ADENINE_R1ME2370750.601.141.26
ASPARTATE_R2ME2370850.701.071.30
N1-Methyl-2-pyridone-5-carboxamide_R2ME2371800.661.071.27
L-KYNURENINEME2371540.531.351.12
Leu Pro_R1ME2371490.471.481.05
Leu Pro_R2ME2371500.451.461.09
3-UREIDOPROPIONATEME2370640.521.211.26
N1-Methyl-2-pyridone-5-carboxamide_R1ME2371790.471.221.31
URIDINEME2372190.491.191.31
N-ACETYL-L-ASPARTIC ACIDME2371830.541.261.20
PYRIDOXALME2372050.541.261.21
N-Acetyl-ArginineME2371820.521.291.19
NICOTINAMIDE MONONUCLEOTIDEME2371920.531.281.19
QUINATE_R2ME2372070.491.291.22
Hydroxyhippuric acidME2371350.491.301.21
Isobutyrylcarnitine_R1ME2371360.501.291.21
ProprionylcarnitineME2372030.511.261.23
N1-Methyl-4-pyridone-5-carboxamideME2371810.511.271.23
3^-CMPME2370620.501.271.23
DEOXYCARNITINEME2371080.501.271.23
N-ALPHA-ACETYL-L-LYSINEME2371840.531.241.24
L-METHIONINEME2371640.511.241.26
TryptophanME2372140.511.251.24
Tryptophan-NH3ME2372170.511.251.25
PIPECOLATE/L-PIPECOLIC ACID_R2ME2372020.441.331.23
HEXOSE-DISACCHARIDE_R1ME2371310.461.311.23
OctanoylcarnitineME2371950.441.311.25
PIPECOLATE/L-PIPECOLIC ACID_R1ME2372010.451.301.25
2-HydroxyphenylalanineME2370610.471.271.27
CMP_R2ME2370990.421.291.29
LL-2,6-DIAMINOHEPTANEDIOATEME2371550.351.281.21
NICOTINAMIDE_R1ME2371900.431.391.18
NICOTINAMIDE_R2ME2371910.411.391.21
UROCANATEME2372200.431.361.22
CYTIDINEME2371060.411.371.22
IsocytosineME2371380.411.361.23
Kynurenic AcidME2371420.341.471.19
StachydrineME2372100.281.491.23
Xanthurenic AcidME2372230.301.451.24
3-HYDROXYKYNURENINEME2370630.281.401.32
Acyl-Carnitine(5-OH)ME2370740.291.401.31
Isovalerylcarnitine_R1ME2371390.311.371.32
Isobutyrylcarnitine_R2ME2371370.321.371.30
Isovalerylcarnitine_R2ME2371400.321.391.29
Hippuric AcidME2371330.351.331.32
Isovalerylcarnitine_R3ME2371410.371.291.34
LysoPC (16:0)ME2371690.920.711.44
SPERMIDINEME2372080.940.831.24
BOC-L-Tyrosine_R2ME2370890.811.171.02
Cyclic-ADP Ribose_R2ME2371050.931.210.92
Cyclic-ADP Ribose_R1ME2371041.070.891.05
L-CYSTATHIONINEME2371470.970.911.12
N-BOC-L-tert-LeucineME2371870.981.040.98
Caffeine-D3ME2370900.971.021.01
L-(+)-Lactic AcidME2371430.981.021.00
N-METHYL-D-ASPARTIC ACIDME2371940.911.041.05
AnthranilateME2370830.931.061.02
ASPARTATE_R1ME2370840.921.051.02
Creatine-D3_R2ME2371021.120.960.93
BETAINEME2370861.090.990.92
Formyl-5-hydroxykynurenamineME2371111.100.970.92
N(PAI)-METHYL-L-HISTIDINEME2371781.140.930.93
HEXOSE-DISACCHARIDE_R2ME2371321.090.950.96
L-SERINEME2371671.100.940.96
ALDO/KETO-HEXOSEME2370801.110.940.95
L-HISTIDINEME2371521.110.940.95
ErgothioneineME2371101.010.941.05
AllopurinolME2370811.000.971.03
L-LYSINE_R1ME2371620.980.991.03
L-ARGININEME2371451.080.970.95
N-BOC-L-Aspartic Acid_R1ME2371851.070.980.95
N-BOC-L-Tryptophan_R1ME2371881.060.990.96
N-BOC-L-Tryptophan_R2ME2371891.050.980.97
ORNITHINEME2371961.030.971.00
BOC-D-PhenylalanineME2370871.041.010.96
L-Leucine-D10_R1ME2371601.031.010.96
L-Phenylalanine 13C6ME2371651.011.000.99
L-Tyrosine 13C6ME2371681.011.000.99
Tryptophan-2,3,3-D3ME2372151.021.000.98
Tryptophan-2,3,3-D3-NH3ME2372161.021.000.98
BOC-L-Tyrosine_R1ME2370881.021.010.97
L-Leucine 13C6_R1ME2371581.031.000.97
ADENINE_R2ME2370761.270.561.17
Chenodeoxycholyglycine (GCDCA)_R2ME2370941.410.630.98
GUANINE_R2ME2371301.370.650.98
OrthophosphateME2371971.540.720.73
Creatine-D3_R1ME2371011.410.780.81
GLYCINEME2371151.420.730.85
TAURINEME2372111.450.690.86
Chenodeoxycholyglycine (GCDCA)_R1ME2370931.441.070.71
Glycodeoxycholic acid (GDCA)_R5ME2371251.300.990.72
LysoPE (18:0)ME2371731.390.870.73
Glycocholic Acid (GCA)_R5ME2371201.520.950.89
Glycodeoxycholic acid (GDCA)_R4ME2371241.290.940.92

Factors:

F1Milk fraction:fat
F2Milk fraction:skim
F3Milk fraction:whole
Data matrix
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