Clustering data with hclust algorithm for Analysis of the effects of Tyrosine Kinase Inhibitors Sunitinib and Erlotinib on Serum Metabolism In Vivo using Non-Targeted Metabolomics Analysis (Study ST000895)

GC POSITIVE ION MODE (Analysis AN001457)
MetaboliteStructureF1F2F3F4F5
Adenosine/InosineME228944NANA1.010.981.00
5-HydroxylysineME228939NA0.991.040.981.05
PyrophosphateME229079NA0.871.021.051.04
C20 HydrocarbonME2289740.980.991.031.05NA
Pentonic acidsME2290680.960.990.991.05NA
2-Phenylacetic acidME2289291.010.97NA1.050.94
GuanosineME2290181.060.971.00NA1.00
Siloxanes_R10ME2290941.02NA1.000.971.02
CystineME2289850.940.911.001.091.09
Pentadecanoic acid/HexadecanolME2290660.950.920.991.081.09
AlizarinME2289471.021.060.961.050.89
Tetradecanedioic acidME2291030.991.051.010.950.87
1,3-DihydroxyacetoneME2289151.080.960.941.031.09
Hexanoic acid (and/or Glycolic acid)ME2290200.951.091.000.990.99
C11 hydrocarbonME2289671.011.060.940.981.02
Siloxanes_R8ME2290920.981.040.990.941.05
Dehydroascorbic acid (possibly alpha-ketoglutarate)ME2289880.921.001.061.001.06
N-AcetyltryptophanME2290520.930.981.011.031.02
GuanineME2290170.930.981.021.041.02
Inosine/AdenosineME2290290.920.981.021.041.03
Malonic acidME2290380.951.040.991.011.03
Tryptamine/NorepinephrineME2291090.931.020.981.011.04
HomocysteineME2290241.001.000.961.031.04
Urocanic acidME2291160.981.030.971.051.05
4-HydroxypyridineME2289370.971.000.970.981.07
Siloxanes_R7ME2290910.970.990.931.011.06
gamma-TocopherolME2290041.040.970.981.021.00
TrisaccharideME2291081.030.970.961.041.01
Pyruvic acidME2290811.030.971.000.971.03
SerotoninME2290841.010.980.970.971.04
O-PhosphocolamineME2290611.010.960.961.011.05
Fumaric acidME2290021.000.980.990.991.06
SphingosineME2290961.010.950.990.991.05
C23 HydrocarbonME2289771.020.961.031.001.01
Tetracosanoic acidME2291021.030.961.010.991.01
Dehydroalanine (possibly from cysteine)ME2289870.990.941.011.021.04
HexosamineME2290221.010.921.011.011.03
Siloxanes_R11ME2290950.981.051.011.000.99
Glycolic acidME2290150.981.041.020.990.96
p-Hydroxyphenyllactic acidME2290720.991.031.010.980.95
2-Ethylhexanoic acidME2289220.991.040.970.981.02
Glucose-6-phosphate or similarME2290070.971.030.961.001.01
OrnithineME2290620.971.020.991.001.01
Glyoxylic acidME2290160.991.000.961.021.00
Siloxanes_R2ME2290861.001.030.961.020.98
Butyro-1,4-lactamME2289650.961.011.031.000.99
PutrescineME2290780.971.001.040.990.99
HypoxanthineME2290280.960.991.050.991.00
Nicotinic acidME2290540.980.991.041.001.00
2-DeoxyuridineME2289211.000.981.030.981.01
Xanthurenic acidME2291200.980.991.040.971.01
PseudouridineME2290760.990.961.021.011.03
N-AcetylglycineME2290501.010.971.011.001.02
4-Hydroxyphenylacetic acidME2289361.000.981.001.001.03
Myoinositol-2-phosphateME2290480.990.971.011.001.03
Threose/erythroseME2291070.990.981.011.001.03
Gluconic acid or similar sugar acidME2290050.970.971.021.001.05
Maleic acidME2290360.970.991.011.001.03
2-Hydroxybutyric acidME2289230.980.991.001.011.02
MSTFA artifactME2290460.980.981.011.011.02
TyrosineME2291100.950.981.021.021.03
GlutamineME2290090.970.981.031.001.02
LysineME2290350.960.991.021.011.02
Threonic acid/erythronic acidME2291051.021.011.020.980.98
UracilME2291121.011.011.010.990.98
Docosanoic acidME2289931.020.981.020.990.99
CarnitineME2289801.020.991.011.000.99
Eicosapentaenoic acidME2289941.021.001.010.990.99
Aspartic acidME2289581.020.990.991.000.99
MethionineME2290391.021.000.990.991.00
Octanoic acidME2290581.021.001.010.971.00
XanthosineME2291191.020.991.000.991.01
Prunetin or similar isoflavoneME2290751.021.001.000.981.01
N-Methylalanine/2-Aminobutanoic acid/N-EthylglycineME2290551.020.991.010.981.01
ProlineME2290741.030.991.000.981.01
3-Nitrotyrosine, but more likely tryptophanME2289340.991.000.981.011.04
DisaccharideME2289911.001.000.990.991.03
Sucrose and similar disaccharidesME2291011.001.000.980.991.03
Siloxanes_R5ME2290891.020.970.991.011.02
Acetoacetate/2-Aminoisobutanoic acidME2289421.011.000.971.001.01
Glutaric acidME2290101.020.990.981.001.02
2-KetovalineME2289281.000.990.991.011.02
6-Hydroxynicotinic acidME2289410.990.990.991.011.01
4-Hydroxymandelic acidME2289351.010.980.991.011.01
5-alpha-Coprostanol or similar oxysterolME2289381.010.990.991.001.00
C13 hydrocarbonME2289691.010.990.991.001.01
Glycerol 1-phosphateME2290130.961.011.021.001.01
Siloxanes_R9ME2290930.971.011.010.981.01
AllantoinME2289480.981.001.020.991.01
XanthineME2291180.971.001.020.981.01
N-AcetyltyrosineME2290530.981.001.010.971.03
Siloxanes_R4ME2290880.971.021.010.981.03
alpha Ketoglutaric acidME2289490.981.001.000.991.03
Hexuronic acidME2290230.981.011.000.991.03
Docosahexaenoic acidME2289920.981.011.010.991.02
Purine ribosideME2290770.981.011.010.991.02
AldopentosesME2289460.981.011.000.991.02
Arachidonic acid (also Eicosapentaenoic acid)ME2289550.981.011.000.991.01
EthanolamineME2289970.981.011.020.990.99
Methyl eicosatrienoate/Methyl arachidonateME2290410.981.021.011.001.00
Methyl oleateME2290430.981.011.011.010.99
FucosterolME2290011.001.011.020.981.00
ArginineME2289560.991.001.020.981.01
N-AcetylleucineME2290511.001.001.020.981.01
C12 hydrocarbonME2289680.991.021.000.981.01
StearamideME2290981.011.021.000.971.00
UreaME2291131.011.011.000.981.01
C25 hydrocarbonME2289781.001.011.000.981.00
Pimelic acidME2290731.011.011.000.981.00
Methyl stearateME2290451.001.011.001.000.99
MyoinositolME2290471.001.011.001.000.99
ValineME2291171.001.011.000.991.00
HydroxyprolinesME2290261.001.011.000.991.00
2-Aminoadipic acidME2289201.001.011.000.991.00
Glutamic acidME2290081.001.011.000.991.00
2-KetoisoleucineME2289261.001.011.001.001.00
PhenylalanineME2290701.001.011.001.001.00
Isoleucine/LeucineME2290301.011.001.000.991.00
SerineME2290831.011.001.000.991.00
beta-MonopalmitinME2289621.011.001.011.001.00
ThreonineME2291061.011.001.001.001.00
UridineME2291151.011.001.001.001.00
Siloxanes_R6ME2290901.011.011.000.990.99
Pantothenic acidME2290651.011.011.001.000.99
alpha-MonopalmitinME2289501.011.001.001.000.99
beta-MonostearinME2289631.011.001.001.000.99
3-Indolelactic acid/TryptophanME2289331.001.000.990.991.01
AsparagineME2289571.001.000.990.991.02
C10 hydrocarbonME2289661.011.000.990.991.01
Sebacic acidME2290821.011.010.990.991.01
AlanineME2289451.000.991.010.991.01
Uric acidME2291141.000.991.000.991.01
2-KetoleucineME2289271.010.991.000.991.01
DiethanolamineME2289901.010.991.000.991.01
1-DodecanolME2289180.991.001.000.991.01
Methionine sulfoxideME2290400.991.001.000.991.02
Flavonoid or short-chain cholesterol esterME2289981.000.991.000.991.02
gamma-Hydroxybutyric acidME2290031.001.001.000.991.02
O-MethylphosphateME2290601.001.001.001.011.00
C17 hydrocarbonME2289731.001.001.011.001.00
Phosphoric acidME2290711.001.001.001.001.00
Palmitic acidME2290631.001.001.001.001.00
Lactic acidME2290321.001.001.001.001.00
GlycerolME2290121.001.001.001.001.00
Glucose and other aldohexosesME2290061.001.001.001.001.00
alpha-MonostearinME2289511.001.001.001.001.00
CholesterolME2289811.001.001.001.001.00
CampesterolME2289791.001.000.991.001.01
Arachidic acid/ 1-HeneicosanolME2289541.000.991.001.001.01
Stearic acidME2290991.001.001.001.001.01
Lauric acidME2290331.001.001.001.001.01
HomoserineME2290251.001.001.001.001.01
deuterated Myristic Acid (RTL std)ME2289891.001.001.001.001.01
Decanoic acidME2289861.001.001.001.001.01
C15 hydrocarbonME2289711.001.001.001.001.01
1,4:3,6-DianhydroglucitolME2289161.001.001.001.001.01
beta-SitosterolME2289641.001.001.001.001.01
Myristic acid or PentadecanolME2290490.991.001.001.001.01
Heptadecanoic acid/OctadecanolME2290190.991.001.001.001.01
Erythronic acidME2289960.991.001.001.001.01
1,5-AnhydroglucitolME2289170.991.001.001.001.01
Aminomalonic acidME2289530.991.001.001.001.01
Glyceric acidME2290110.991.001.001.001.00
Unknown-possibly propylene glycolME2291110.991.001.001.001.00
Succinic acidME2291000.991.011.001.001.00
Oleic acidME2290590.991.011.001.001.00
Methyl linoleateME2290420.991.011.001.001.00
Methyl palmitateME2290440.991.011.001.001.00
Nonanoic acidME2290570.991.011.000.991.01
Palmitoleic acidME2290640.991.011.001.001.01
Malic acidME2290370.991.011.001.001.01
Linoleic acidME2290340.991.011.001.001.01
HexitolsME2290210.991.011.001.001.01
3-Aminoisobutyric acid/beta-AlanineME2289320.991.011.001.001.01
Azelaic acidME2289590.991.011.001.001.01
Threonic acidME2291040.981.011.001.001.01
alpha-TocopherolME2289520.981.011.001.001.01
beta-Hydroxybutyric acidME2289610.981.011.001.001.01
GlycineME2290140.981.001.011.011.01
Pyrrole -2-carboxylic acidME2290800.981.001.011.001.00
Citric acid/isocitric acidME2289830.981.001.001.001.01
3-(4-Hydroxyphenyl)propionic acidME2289310.991.001.001.001.02
Fructose or similar ketohexoseME2289990.981.001.001.001.02
2-Hydroxyglutaric acidME2289240.981.001.001.001.02
3-(3-Hydroxyphenyl)propionic acidME2289300.981.001.001.001.02
Erythritol/TheitolME2289950.991.001.011.001.02
2-HydroxypyridineME2289250.990.991.011.001.01
6-DeoxyhexoseME2289400.991.001.011.001.01
C14 HydrocarbonME2289700.990.991.011.010.99
PentitolsME2290671.000.991.011.000.99
Siloxanes_R3ME2290871.011.010.981.010.99
CreatinineME2289841.001.011.001.010.98
Benzoic acidME2289601.001.000.991.010.99
C16 HydrocarbonME2289721.001.001.001.010.99
Acetylsalicylic acid/Salicylic acidME2289431.001.001.001.040.99
HypotaurineME2290270.951.000.991.021.03
1-Eicosanol/Nonadecanoic acidME2289190.971.011.001.021.00
Siloxanes_R1ME2290850.961.001.001.031.00
Cholic acid or similar bile acidME2289821.031.001.020.970.91
SqualeneME2290971.030.991.020.950.96
Fructose-6-phosphateME2290001.101.030.971.000.94
C21 HydrocarbonME2289751.031.040.990.990.96
PhenolME2290691.041.040.970.970.97
Ketopentose-5-phosphateME2290311.071.020.961.000.98
N-Methylglutamic acidME2290561.061.030.960.991.01

Factors:

F1Treatment:30mg/kg Sor
F2Treatment:3mg/kg Trm
F3Treatment:40mg/kg Sun
F4Treatment:50mg/kg Erl
F5Treatment:PBS Ctl
Data matrix
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