Clustering data with hclust algorithm for Metabolomic testing of a putative MDH inhibitor (global) (Study ST000475)

UHPLC POSITIVE ION MODE (Analysis AN000739)
MetaboliteStructureF1F2
LysoPE (18:1)ME1549280.431.57
DIETHANOLAMINEME1548960.551.45
LysoPC (18:2)ME1549260.661.34
CYS-GLYME1548930.881.12
4-AMINOBUTANOATE (GABA)ME1548800.811.19
LysoPE (20:4)ME1549290.771.23
Triethyl phosphateME1549441.001.00
TRANS-CINNAMATEME1549431.030.97
Dibutyl phthalateME1548951.010.99
Tryptophan-2,3,3-D3-NH3ME1549481.020.98
Tryptophan-2,3,3-D3ME1549471.020.98
Monobutyl phthalateME1549311.020.98
DIHYDROXYACETONE PHOSPHATEME1548971.020.98
L-Tryptophan 13C11ME1549231.020.98
Creatine-D3ME1548910.951.05
N-BOC-L-Aspartic AcidME1549350.951.05
L-Phenylalanine 13C6ME1549210.981.02
L-Tyrosine 13C6ME1549240.971.03
L-Leucine 13C6ME1549180.971.03
L-Leucine-D10ME1549190.971.03
PHENETHYLAMINEME1549391.130.87
CMPME1548891.160.84
ALDO/KETO-HEXOSEME1548841.140.86
DiphenylamineME1548981.150.85
N-ACETYLPUTRESCINEME1549341.150.85
CYTOSINEME1548941.100.90
GlycerophosphocholineME1549021.080.92
Dipropylene glycolME1548991.060.94
L-CYSTEINEME1549111.070.93
GUANINEME1549041.440.56
L-IsoleucineME1549161.430.57
ALANINE/SARCOSINEME1548831.420.58
4-HYDROXYPROLINEME1548811.410.59
L-GLUTAMINEME1549151.410.59
TryptophanME1549461.390.61
CholineME1548881.390.61
Pyroglutamic AcidME1549411.390.61
Tryptophan-NH3ME1549491.400.60
L-VALINE/5-AMINOPENTANOATE/L-NORVALINEME1549251.400.60
CREATININEME1548921.400.60
L-METHIONINEME1549201.400.60
PEG n5ME1549381.520.48
3-UREIDOPROPIONATEME1548791.490.51
Glycyl-L-leucineME1549031.500.50
L-GLUTAMIC ACIDME1549141.470.53
N-ACETYL-HEXOSAMINEME1549321.480.52
OrthophosphateME1549361.210.79
GLUCOSAMINE/MANNOSAMINEME1549011.230.77
HEXOSE-DISACCHARIDEME1549071.230.77
1-AMINOCYCLOPROPANE-1-CARBOXYLATEME1548781.330.67
ALDOPENTOSEME1548851.330.67
HEXOSE-6-PHOSPHATEME1549061.360.64
THREONINE/HOMOSERINEME1549421.350.65
METHYL BETA-D-GALACTOSIDEME1549301.270.73
ADENINEME1548821.290.71
N-ACETYLNEURAMINATEME1549331.300.70
CREATINEME1548901.750.25
BETAINEME1548861.790.21
ButyrylcarnitineME1548871.800.20
INOSINEME1549081.670.33
LysoPE (18:0)ME1549271.710.29
Pantothenic AcidME1549371.700.30
IsocytosineME1549091.570.43
LEUCINEME1549131.570.43
LL-2,6-DIAMINOHEPTANEDIOATEME1549171.600.40
L-CARNITINEME1549101.590.41
TrigonellineME1549451.590.41
Leu ProME1549121.650.35
PHOSPHOCHOLINEME1549401.640.36
GUANOSINEME1549051.610.39
ErucamideME1549001.630.37
L-PROLINEME1549221.620.38

Factors:

F1Treatment:-
F2Treatment:MDH inhib
Data matrix
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