Clustering data with hclust algorithm for (Study ST002772)

(Analysis AN004512)
MetaboliteStructureF1F2F3
2-Methylmalonic acidME7185301.590.261.00
AdenosineME7185031.380.501.02
CarnosineME7185521.440.590.76
2-Hydroxyquinoline_2ME7186320.551.541.05
2-HydroxyquinolineME7186310.741.181.23
CytosineME7185590.831.221.00
Oxidized glutathioneME7186061.150.940.79
CarnitineME7185071.180.820.92
TaurineME7186161.110.910.92
AsparagineME7185511.100.900.96
4-HydroxyprolineME7185371.080.930.95
Hydroxyphenyllactic acidME7185761.070.930.97
BetaineME7185061.120.831.02
AcetylcholineME7185431.120.860.97
CreatineME7185551.100.880.99
CitrullineME7185091.080.891.02
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dioneME7186331.070.901.02
Nicotine amideME7185151.070.901.03
3-(1-hydroxyethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dioneME7186341.100.861.01
3-MethylhistidineME7185001.090.871.03
2-MercaptoethanolME7186281.070.791.18
Uric acidME7186241.100.811.10
Indole-3-propionic acidME7185781.240.710.98
Hippuric acidME7185731.220.671.07
InosineME7185791.200.701.07
AllopurinolME7185041.190.731.04
MelatoninME7185851.170.781.01
5-MethoxytryptophanME7185391.150.781.05
ProlineME7185181.160.761.06
HypoxanthineME7185140.991.100.86
PhosphocholineME7185170.891.031.17
ThiamineME7185210.871.041.19
Ascorbic acidME7185500.970.941.14
Pipecolinic acidME7186100.960.951.14
RiboflavinME7186120.940.991.13
Urocanic acidME7186260.940.971.17
cis-Aconitic acidME7185531.020.911.10
LeucineME7185821.020.951.05
TryptophanME7186211.020.931.06
DopamineME7185611.020.941.06
Guanidoacetic acidME7185691.020.941.06
Glyceric acidME7185660.990.971.07
AllantoinME7185470.970.991.07
Argininosuccinic acidME7185490.970.991.07
AnserineME7185481.020.961.02
Galactonic acidME7185621.020.961.02
4-Guanidinobutyric acidME7185361.020.971.01
Diaminopimelic acidME7185601.020.971.00
CystineME7185571.000.991.01
Glutamic acidME7185101.000.991.01
N-Acetyl-glucosamineME7185940.990.991.03
Glucuronic acidME7185640.991.001.03
AcetylhistidineME7185440.991.001.02
CreatinineME7185560.991.001.02
IsoleucineME7185801.010.971.04
2/3-Hydroxybutyric acidME7185251.000.971.05
N-Acetyl-phenylalanineME7186011.000.971.04
Pyroglutamic acidME7185201.000.971.04
MethionineME7185881.000.981.03
Hydroxyhippuric acidME7185751.000.971.03
AICAR-MPME7185451.010.971.03
UreaME7186231.010.971.03
Sugar alcohol (C6)ME7186150.980.991.04
3-Hydroxy-2-methyl-4-pyroneME7185330.990.981.05
UracilME7186220.990.981.04
Methionine sulfoxideME7185891.060.940.98
HistidineME7185111.050.941.00
N-Acetyl-ornithineME7186001.050.940.99
SerineME7186131.050.940.99
HomoarginineME7185121.040.941.02
GlutamineME7185651.040.941.01
TrigonellineME7186201.040.941.01
meso-Erythritol/ThreitolME7185861.040.931.03
PhenylalanineME7185161.030.931.04
Citric acidME7185541.060.960.95
Threonic acidME7186171.060.970.93
GuanosineME7185701.020.990.98
HomocitrullineME7185741.030.970.97
5-MethylcytosineME7185400.871.131.05
N-Acetyl-tyrosineME7186020.901.111.03
ThymineME7186190.891.101.06
2-MethylbutyrylglycineME7185290.981.040.97
PyridoxalME7185191.001.020.97
N-Acetyl-lysineME7185970.941.041.05
(+/-)-Propranolol HCL/8-Aminooctanoic acidME7185230.941.041.05
3-(3/4-Hydroxyphenyl)propionic/3-Phenyllactic/Tropic acid/Acetovanillone/MevalonolactoneME7185320.951.021.05
2-Oxoglutaric acidME7185310.951.031.06
5-Hydroxyindole-3-acetic acidME7185010.951.031.06
5-MethyltetrahydrofolateME7185410.951.031.05
N-Acetyl-arginineME7185920.951.031.05
CytidineME7185580.951.041.03
3-Methoxy-4-Hydroxyphenylglycol sulfateME7185340.951.031.04
GlycineME7185670.951.041.04
3-Methyl-2-oxovaleric acidME7185350.961.031.03
N-Acetyl-glutamineME7185950.971.031.03
N-FormylmethionineME7186030.961.021.04
O-AcetylserineME7186040.961.031.04
Pantothenic acidME7186070.961.031.04
2-Aminoadipic acidME7185270.971.011.03
Phosphoenolpyruvic acidME7186090.971.021.03
PentoseME7186080.971.021.03
N-Acetylneuraminic acidME7185990.971.021.03
Indole-3-acetic acidME7185770.971.021.03
1-Methyl AdenosineME7184990.971.021.03
Glycolic acidME7185680.971.021.03
N-Acetyl-glycineME7185960.981.011.03
N-acetyl-methionineME7185980.981.011.04
Sugar alcohol (C5)ME7186140.971.011.05
4-Methyl-2-oxovaleric acidME7185380.971.021.04
Galactosamine/GlucosamineME7185630.971.011.04
N-Acetyl-alanineME7185910.971.011.04
AlanineME7185460.981.021.00
UridineME7186250.981.011.02
Hexanoyl GlycineME7185710.971.021.01
HexoseME7185720.971.021.02
CaprolactamME7186290.921.061.07
Methanesulfonic acidME7185870.941.031.08
Pyruvic acidME7186110.941.031.07
LysineME7185830.931.081.01
5-MethyluridineME7185420.921.091.01
N-Acetyl-aspartic acidME7185930.921.091.02
XanthineME7186270.921.071.05
2^-DeoxyuridineME7185280.931.071.03
TyrosineME7185220.931.071.03
2′-DeoxycytidineME7185260.921.071.04
Lactic acidME7185810.931.071.04
N-BenzylformamideME7186300.931.071.04
CholineME7185080.931.061.05
2-(hydroxymethyl)butanoic/2-Ethylhydracrylic acidME7185240.931.061.04
OrnithineME7186050.941.061.04
HomoserineME7185130.951.051.02
N8-AcetylspermidineME7185900.951.051.04
Malic acidME7185840.941.061.03
ThymidineME7186180.941.061.03
7-MethylguanineME7185020.941.051.04
ArginineME7185050.941.051.03

Factors:

F1factor:Dark phase sample
F2factor:Light phase sample
F3factor:Pooled samples - quality control
Data matrix
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