Clustering data with hclust algorithm for Analysis of the effects of Tyrosine Kinase Inhibitors Sunitinib and Erlotinib on Heart, Metabolism In Vivo (Study ST000893)

GC POSITIVE ION MODE (Analysis AN001455)
MetaboliteStructureF1F2F3
PutrescineME2287091.001.00NA
Siloxanes_R8ME228721NA1.001.01
SpermineME2287231.040.960.97
2-Hydroxyglutaric acidME2285941.060.980.97
C20 HydrocarbonME2286311.030.980.98
C22 hydrocarbonME2286331.041.000.97
DiethanolamineME2286461.040.990.97
Maleic acidME2286801.011.050.98
Threonic acid/erythronic acidME2287301.011.040.97
3-Aminoisobutyric acid/beta-AlanineME2285961.041.020.98
AsparagineME2286151.031.020.94
GlutamineME2286581.021.020.96
ArginineME2286140.990.971.04
Inosine 5^-monophosphateME2286731.000.961.05
Tryptamine/NorepinephrineME2287340.970.981.04
Siloxanes_R4ME2287170.970.991.05
Glyoxylic acidME2286640.981.001.05
Nonanoic acidME2286920.971.001.04
Fructose or similar ketohexoseME2286520.961.011.02
Inosine/AdenosineME2286740.971.011.02
Siloxanes_R6ME2287190.961.031.02
Siloxanes_R2ME2287150.971.021.02
6-Hydroxynicotinic acidME2286020.961.021.02
C19 hydrocarbonME2286300.961.021.03
Phosphoenolpyruvic acidME2287040.951.021.01
Siloxanes_R7ME2287200.941.031.02
N-Acetylneuraminic acidME2286881.020.981.03
Uric acidME2287391.010.981.01
C23 HydrocarbonME2286341.020.991.00
C25 hydrocarbonME2286361.010.991.00
Ketopentose-5-phosphateME2286761.010.991.00
Palmitoleic acidME2286981.020.981.00
Unknown-possibly propylene glycolME2287361.010.981.00
Xanthine (and/or Cytindine-5^-monophosphate)ME2287421.030.981.01
gamma-TocopherolME2286541.040.971.00
UracilME2287371.030.971.00
SpermidineME2287221.001.020.98
Nicotinic acidME2286911.001.020.98
SerineME2287131.001.020.98
C14 HydrocarbonME2286261.011.010.98
HydroxyprolinesME2286701.001.010.98
Dihydroxyacetone phosphateME2286471.011.020.97
Docosanoic acidME2286501.001.030.97
LysineME2286791.011.010.99
Isoleucine/LeucineME2286751.021.000.99
C21 HydrocarbonME2286321.011.000.99
HistidineME2286681.011.000.99
possibly Erythritol/TheitolME2287061.021.000.98
ValineME2287411.021.000.98
Gly-ProME2286591.021.010.97
PentitolsME2287011.021.010.98
Pyruvic acidME2287121.000.991.00
UridineME2287401.001.001.00
Sucrose and similar disaccharidesME2287281.001.001.00
Stearic acidME2287261.001.001.00
Siloxanes_R1ME2287141.001.001.00
Malic acidME2286811.001.001.00
CholesterolME2286391.001.001.00
C16 HydrocarbonME2286281.001.001.00
C10 hydrocarbonME2286221.001.001.00
beta-MonostearinME2286201.001.001.00
Aspartic acidME2286161.001.001.00
alpha-MonostearinME2286091.001.001.00
alpha-MonopalmitinME2286081.001.001.00
6-MethyluracilME2286031.001.001.00
AlanineME2286071.001.001.00
C24 HydrocarbonME2286351.001.000.99
Siloxanes_R3ME2287161.001.000.99
UreaME2287380.991.011.00
Succinic acidME2287270.991.011.00
SqualeneME2287240.991.011.00
Phosphoric acidME2287050.991.011.00
Pentadecanoic acid/HexadecanolME2287000.991.011.00
Pantothenic acidME2286990.991.011.00
NicotinamideME2286900.991.011.00
MSTFA artifactME2286840.991.011.00
Heptadecanoic acid/OctadecanolME2286650.991.011.00
Glucose and other aldohexosesME2286550.991.011.00
deuterated Myristic Acid (RTL std)ME2286450.991.011.00
Dehydroascorbic acid (possibly alpha-ketoglutarate)ME2286440.991.011.00
Citric acid/isocitric acidME2286400.991.011.00
CampesterolME2286370.991.011.00
C11 hydrocarbonME2286230.991.011.00
Benzoic acidME2286170.991.011.00
Adenosine/InosineME2286060.991.011.00
Adenosine-5-monophosphateME2286050.991.011.00
AdenineME2286040.991.011.00
1,5-AnhydroglucitolME2285920.991.011.00
2-Aminoadipic acidME2285930.991.011.00
Palmitic acidME2286971.001.011.00
MyoinositolME2286851.001.011.00
Lactic acidME2286771.001.011.00
Hexanoic acid (and/or Glycolic acid)ME2286661.001.011.00
2-HydroxypyridineME2285951.001.011.00
Glutamic acidME2286571.001.011.00
HomoserineME2286690.991.010.99
4-HydroxypyridineME2285990.991.010.99
beta-Hydroxybutyric acidME2286180.991.010.99
PyrophosphateME2287101.001.010.99
PhenylalanineME2287031.001.010.99
PhenolME2287021.001.010.99
Myristic acid or PentadecanolME2286871.001.010.99
MethionineME2286821.001.010.99
GlycineME2286621.001.010.99
CreatinineME2286411.001.010.99
C15 hydrocarbonME2286271.001.010.99
C13 hydrocarbonME2286251.001.010.99
C12 hydrocarbonME2286241.001.010.99
5-alpha-Coprostanol or similar oxysterolME2286001.001.010.99
Arachidic acid/ 1-HeneicosanolME2286121.001.010.99
3-Phosphoglyceric acidME2285980.981.030.99
beta-SitosterolME2286210.981.031.00
GlycerolME2286600.991.030.99
TyrosineME2287350.991.020.99
ThreonineME2287310.991.020.99
alpha-TocopherolME2286100.991.020.99
Glycolic acidME2286630.991.020.99
Pyrrole -2-carboxylic acidME2287110.981.010.99
Prunetin or similar isoflavoneME2287070.981.011.00
Siloxanes_R5ME2287180.981.011.00
3-Indolelactic acid/TryptophanME2285970.971.011.01
PseudouridineME2287080.981.011.01
N-Methylalanine/2-Aminobutanoic acid/N-EthylglycineME2286890.981.011.01
5^-Deoxy-5^-(methylthio) adenosineME2286010.981.011.01
HexitolsME2286670.981.011.01
Decanoic acidME2286420.971.021.01
Fumaric acidME2286530.981.021.01
1-Eicosanol/Nonadecanoic acidME2285911.000.981.02
StearamideME2287250.990.991.02
Methionine sulfoxideME2286830.990.991.02
EthanolamineME2286510.990.991.02
Glucose-6-phosphate or similarME2286560.990.991.02
O-MethylphosphateME2286930.981.001.01
p-Hydroxyphenyllactic acidME2286960.981.001.02
O-PhosphocolamineME2286940.981.001.02
Myoinositol-2-phosphateME2286860.981.001.02
Arachidonic acid (also Eicosapentaenoic acid)ME2286130.981.001.02
Docosahexaenoic acidME2286490.981.001.02
Tiglic acidME2287321.001.001.02
TaurineME2287291.001.001.01
Oleic acidME2286950.991.001.01
Linoleic acidME2286780.991.001.01
HypoxanthineME2286720.991.001.01
HypotaurineME2286710.991.001.01
Glycerol 1-phosphateME2286610.991.001.01
DisaccharideME2286480.991.001.01
Dehydroalanine (possibly from cysteine)ME2286430.991.001.01
beta-MonopalmitinME2286190.991.001.01
C17 hydrocarbonME2286290.991.001.01
Chenodeoxycholic acidME2286380.991.130.95
Aminomalonic acidME2286111.001.030.91
TrisME2287331.001.070.93

Factors:

F1Treatment:40mg/kg Sun
F2Treatment:50mg/kg Erl
F3Treatment:PBS Ctl
Data matrix
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