Clustering data with hclust algorithm for Evaluation of specific concentrations for use in experimental protocol (Study ST000586)

GC POSITIVE ION MODE (Analysis AN000901)
MetaboliteStructureF1F2F3
n-TriacontaneME1706371.020.99NA
PhytaneME1706541.001.00NA
O-MethylphosphateME1706390.930.961.05
2-HydroxypyridineME1705350.910.991.02
Phosphoric acidME1706520.900.981.03
Heptadecanoic acid/Octadecanol 2ME1706040.940.981.02
Palmitic acidME1706430.920.971.04
beta-MonostearinME1705700.920.981.03
Myristic acid or PentadecanolME1706300.930.981.03
GlycerolME1705980.850.971.05
beta-MonopalmitinME1705690.890.971.04
Prunetin or similar isoflavoneME1706560.880.961.04
1,4:3,6-DianhydroglucitolME1705281.031.010.99
Heptadecanoic acid/OctadecanolME1706031.011.020.98
HomoserineME1706081.011.010.99
ThymolME1706721.000.971.03
alpha-MonostearinME1705580.981.001.01
Arachidic acid/ 1-HeneicosanolME1705610.970.991.02
alpha-MonopalmitinME1705570.970.991.01
Stearic acidME1706640.970.991.01
CholesterolME1705730.620.991.04
UreaME1706760.671.011.01
Glucose and other aldohexosesME1705940.651.011.04
Lactic acidME1706150.660.991.04
GlycineME1706000.740.981.03
Pyruvic acidME1706610.800.971.06
Oleic acidME1706380.410.971.07
Methyl eicosatrienoateME170623NA0.831.08
Maleic acidME170619NA0.801.07
PyrophosphateME170660NA0.811.06
Methyl oleateME170625NA0.811.01
Myoinositol-2-phosphateME170629NA0.821.02
Docosahexaenoic acidME170582NA0.851.05
2-Ketobutyric acidME170537NA0.861.06
2-Aminoadipic acidME170530NA0.871.05
Docosanoic acidME170583NA0.861.05
Pentadecanoic acid/HexadecanolME170647NA0.861.05
SerotoninME170663NA0.851.03
Hexanoic acidME170605NA0.871.03
UridineME170678NA0.861.03
n-OctanolME170635NA1.030.99
Oxalic acidME170642NA1.010.99
CreatinineME170576NA0.991.00
OrnithineME170641NA0.991.01
O-PhosphocolamineME170640NA0.981.02
2-Hydroxyisobutyric acidME170534NA0.961.02
HypoxanthineME170611NA0.971.01
2-Hydroxyvaleric acidME170536NA0.941.04
Aminomalonic acidME170560NA0.951.04
Barbituric acidME170566NA0.941.05
5-HydroxylysineME170548NA0.951.06
TrisaccharideME170673NA0.951.05
ThreonineME170670NA0.951.05
p-CresolME170646NA0.951.05
LysineME170618NA0.951.05
Linoleic acidME170617NA0.951.05
IsoleucineME170613NA0.951.05
Erythronic acidME170585NA0.951.05
beta-Alanine/3-Aminoisobutanoic acidME170567NA0.951.05
DisaccharideME170581NA0.951.05
EthanolamineME170587NA0.981.04
Succinic acidME170665NA0.971.03
MyoinositolME170628NA0.971.03
Glyoxylic acidME170602NA0.971.03
Glyceric acidME170597NA0.971.03
Gluconic acid or similar sugar acidME170592NA0.971.03
2-Hydroxybutyric acidME170532NA0.971.03
beta-Hydroxybutyric acidME170568NA0.971.03
ValineME170679NA0.961.04
Threonic acidME170669NA0.961.04
Sucrose and similar disaccharidesME170666NA0.961.04
Malic acidME170620NA0.961.04
Lauric acidME170616NA0.961.04
HydroxyprolinesME170609NA0.961.04
Glycolic acidME170601NA0.961.04
Gluconic acid or similar sugar acid 2ME170593NA0.961.04
Fructose or similar ketohexoseME170589NA0.961.04
Ethanol diglycine (EDTA decomposition product)ME170586NA0.961.04
Erythritol/TheitolME170584NA0.961.04
Citric acid/isocitric acidME170575NA0.961.04
Aspartic acid 2ME170565NA0.961.04
AlanineME170553NA0.961.04
1,5-AnhydroglucitolME170529NA0.961.04
6-DeoxyhexoseME170549NA0.961.04
2-Hydroxyglutaric acidME170533NA0.961.03
ProlineME170655NA0.961.03
4-HydroxypyridineME170546NA0.951.08
alpha Ketoglutaric acidME170556NA0.961.07
N-Methylalanine/2-Aminobutanoic acid/N-EthylglycineME170633NA0.931.06
Uric acidME170677NA0.941.06
SerineME170662NA0.941.06
PentitolsME170648NA0.941.06
Palmitoleic acidME170644NA0.941.06
Hexuronic acidME170606NA0.941.06
alpha-TocopherolME170559NA0.941.06
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid (CMPF)ME170541NA0.941.06
AldopentosesME170554NA0.941.06
Nonanoic acidME170636NA0.921.07
TyrosineME170675NA0.931.07
GlutamineME170596NA0.931.07
Glutamic acidME170595NA0.931.07
AcetoacetateME170550NA0.931.07
Arachidonic acid (also Eicosapentaenoic acid)ME170562NA0.931.07
2-KetovalineME170539NA0.941.00
Aspartic acidME170564NA0.901.05
delta-TocopherolME170580NA0.911.01
TetrasaccharideME170668NA0.911.02
HypotaurineME170610NA0.921.04
N-Methylglutamic acidME170634NA0.921.04
4-Hydroxyphenylacetic acidME170545NA0.931.03
PhenolME170650NA0.941.02
Methyl linoleateME170624NA0.861.11
Glycerol 1-phosphateME170599NA0.881.12
Tryptamine/NorepinephrineME170674NA0.891.13
2-Aminopimelic acidME170531NA0.931.11
KetopentosesME170614NA0.941.10
Acetylsalicylic acid/Salicylic acidME170551NA0.911.07
Methyl stearateME170627NA0.921.08
gamma-TocopherolME170591NA0.921.08
MethionineME170621NA0.921.08
beta-SitosterolME170571NA0.901.08
PseudouridineME170657NA0.911.09
PhenylalanineME170651NA0.911.09
2-Ketoleucine/ketoisoleucineME170538NA0.911.09
Methyl palmitateME170626NA0.911.09
Decanoic acidME170578NA0.911.08
3-Indolelactic acid/tryptophanME170543NA0.911.08
3-Phosphoglyceric acidME170544NA0.911.08
Tetradecanedioic acidME170667NA0.901.10
AsparagineME170563NA0.881.10
CampesterolME170572NA0.891.09

Factors:

F1Plasma Volume:0 uL
F2Plasma Volume:150 uL
F3Plasma Volume:700 uL
Data matrix
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