Clustering data with hclust algorithm for (Study ST001980)

(Analysis AN003230)
MetaboliteStructureF1F2
Isocitric acidME4574810.071.93
XylitolME4575620.061.94
Galactosamine_1_majorME4574570.031.97
Glucono-1,5-lactone_1ME4574620.021.98
Tagatose_1_minorME4575410.002.00
Fructose_1ME4574540.011.99
Tagatose_2_majorME4575420.011.99
Galactose_1ME4574590.131.87
Mannose_1_majorME4574980.131.87
Psicose_1_minorME4575250.261.74
Fructose_2ME4574550.201.80
N-Acetylputrescine_3TMS_2018ME4575060.201.80
4-Aminobutyric acidME4574201.880.12
Orotic acidME4575141.930.07
Citric acidME4574390.441.56
UreaME4575540.501.50
Melibiose_1_majorME4574990.711.29
Oleic acid(18_1n-9)ME4575110.731.27
Icosanoic acid(20_0)ME4574780.621.38
Fructose 6-phosphate_3ME4574530.681.32
3-Phenyllactic acidME4574180.661.34
Putrescine_4TMS_2018ME4575270.651.35
XanthineME4575601.090.91
Serine_2TMS_minorME4575341.090.91
Ribulose 5-phosphate_1ME4575321.090.91
Nicotinic acidME4575081.090.91
Methionine sulfoxide_3ME4575001.090.91
2-DeoxyguanosineME4574141.090.91
Isoleucine_1TMS_minorME4574821.090.91
GuanosineME4574731.080.92
Galactose_2+Glucose_2ME4574601.080.92
2-Hydroxypyridine (also found in blank)ME4574161.080.92
AdenosineME4574251.080.92
Glycine_3TMSME4574701.110.89
NicotinamideME4575071.100.90
1-HexadecanolME4574110.971.03
Uridine_4TMSME4575570.971.03
Palmitoleic acid(C16_1n7)ME4575170.981.02
Glycerol-2-phosphate+glycerol 3-phosphateME4574690.981.02
Myristic acidME4575020.981.02
Glucose_1ME4574631.001.00
2-DeoxyadenosineME4574130.991.01
SucroseME4575400.991.01
Thymidine_3ME4575451.010.99
Putrescine_3TMS_2018ME4575261.020.98
MannitolME4574971.020.98
MaltotrioseME4574961.020.98
1,6-AnhydroglucoseME4574101.020.98
Ketovaline_2ME4574851.020.98
Lauric acidME4574871.030.97
5-MethylthioadenosineME4574221.030.97
InosineME4574791.030.97
Valine_1TMS_minorME4575581.040.96
CytosineME4574441.050.95
Leucine_1TMSME4574881.060.94
Fumaric acidME4574561.060.94
Galactosamine_2_minorME4574581.060.94
Pentadecanoic acid(15_0)ME4575190.951.05
PhosphateME4575220.951.05
Nonanoic acid(9_0)ME4575090.931.07
CitrullineME4574400.941.06
AconitateME4574230.941.06
b-Lactose_2_minorME4574360.941.06
Lactic acid (also found in blank)ME4574860.921.08
Malonic acidME4574920.921.08
2-Deoxyribose 5-phosphateME4574150.911.09
Decanoic acid(10_0)ME4574450.901.10
AdenineME4574240.801.20
Maltose_1_majorME4574930.801.20
a-Ketoglutaric acidME4574260.811.19
Maltose_2_minorME4574940.821.18
TrehaloseME4575470.821.18
MaltotetraoseME4574950.861.14
b-Lactose_1_majorME4574350.861.14
Malic acidME4574910.861.14
Uridine 5^-diphosphate_2ME4575560.871.13
Succinic acid(or anhydride)ME4575390.871.13
Stearic acid(18_0) (also found in blank)ME4575380.871.13
Palmitic acid(16_0) (also found in blank)ME4575160.871.13
Cytidine_2ME4574430.871.13
Elaidic acid(18_1n-9)ME4574490.871.13
Turanose_1ME4575510.851.15
RaffinoseME4575300.831.17
SorbitolME4575360.841.16
Alanylalanine_1ME4574291.220.78
Threonine_2TMS_minorME4575431.210.79
2-Aminobutyric acidME4574121.210.79
Leucine_2TMSME4574891.210.79
Isoleucine_2TMS_majorME4574831.200.80
Alanylalanine_3ME4574301.200.80
Asparagine_4TMSME4574331.200.80
PantothenateME4575181.180.82
XanthosineME4575611.190.81
Serine_3TMS_majorME4575351.190.81
Quinic acidME4575291.190.81
PrephenateME4575231.190.81
GuanineME4574721.190.81
HomoserineME4574761.190.81
ThymineME4575461.120.88
Tryptophan_1TMSME4575481.130.87
CaffeineME4574371.130.87
Lysine_4TMSME4574901.130.87
Uridine 5^-diphosphate_1ME4575551.170.83
Glycolic acidME4574711.150.85
Valine_2TMSME4575591.160.84
Glutamine_3TMSME4574651.160.84
Ketoisoleucine_1ME4574841.160.84
Phenylalanine_1TMSME4575201.290.71
N-Acetyl glutamateME4575051.290.71
Methionine_2TMSME4575011.290.71
Aspartic acid_3TMSME4574341.290.71
3-Hydroxy butyrateME4574171.290.71
Alanine_3TMSME4574281.290.71
Asparagine_3TMSME4574321.280.72
Pyroglutamic acid_2TMS(5-Oxoproline)ME4575281.280.72
InositolME4574801.270.73
o-Acetyl serineME4575101.270.73
Threonine_3TMS_majorME4575441.260.74
TyrosineME4575521.260.74
Gluconic acidME4574611.230.77
Alanine_2TMSME4574271.240.76
Glutamic acid_3TMSME4574641.240.76
Ribulose 5-phosphate_2+Xylulose 5-phosphate_2ME4575331.250.75
HomocysteineME4574751.250.75
Fructose 6-phosphate_2ME4574521.250.75
Glyceric acidME4574681.250.75
Tryptophan_2TMSME4575491.390.61
Proline_2TMSME4575241.380.62
Arabinose-5-phosphate_2ME4574311.380.62
Phenylalanine_2TMSME4575211.380.62
Tryptophan_3TMSME4575501.370.63
Glyceraldehyde_2_majorME4574671.370.63
Histidine_3TMSME4574741.370.63
Ornithine_3TMSME4575121.350.65
Dihydroxy acetone phosphate-2ME4574471.350.65
Erythrose_2ME4574511.350.65
4-Hydroxybenzoic acidME4574211.340.66
UracilME4575531.330.67
Sorbitol 6-phosphateME4575371.330.67
N-a-Acetyl ornithine_2_majorME4575031.330.67
DihydroxyacetoneME4574481.330.67
Dihydroxy acetone phosphate-1ME4574461.330.67
3-Phosphoglyceric acidME4574191.570.43
Cysteine sulfinic acidME4574411.620.38
N-Acetyl aspartic acid_1_minorME4575041.490.51
Ornithine_4TMSME4575131.490.51
HypoxanthineME4574771.410.59
Erythrose_1ME4574501.420.58
Oxaloacetic acid+PyruvateME4575151.420.58
Glyceraldehyde_1_minorME4574661.460.54
Citramalic acidME4574381.450.55
Cysteine_3TMSME4574421.440.56
RiboseME4575311.440.56

Factors:

F1Hours:3 | D-tagatose (%):-
F2Hours:3 | D-tagatose (%):5
Data matrix
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