Clustering data with hclust algorithm for Effects of dilution on analyte identification and quantification (Study ST000589)

GC POSITIVE ION MODE (Analysis AN000904)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11
LeucineME170820NA0.960.991.000.931.051.090.911.231.150.94
Tetradecanedioic acidME170865NA1.021.001.010.731.031.080.861.011.050.95
Arachidonic acidME170771NA0.890.950.990.821.041.080.821.141.140.86
DisaccharideME170792NA0.930.981.020.751.041.070.851.111.140.91
MethionineME170825NA0.910.951.000.791.031.060.861.111.140.89
alpha-TocopherolME170768NA0.961.001.020.791.061.090.881.131.140.93
Palmitoleic acidME170844NA0.960.991.020.801.061.090.881.131.140.93
GlutamineME170805NA0.950.981.040.781.071.080.891.121.140.92
TyrosineME170874NA0.950.981.040.801.061.080.891.121.140.93
PhenylalanineME170850NA0.950.971.020.851.051.070.911.111.130.93
Threonic acidME170867NA0.981.001.030.821.061.070.881.101.110.94
Glutamic acidME170804NA0.960.981.030.821.061.070.901.111.130.94
Uric acidME170877NA0.960.991.030.831.061.080.901.111.110.94
2-Aminoadipic acidME170744NA0.930.940.940.851.011.020.861.071.080.91
N-MethylalanineME170836NA0.960.981.010.811.021.030.911.081.110.94
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME170751NA0.940.981.000.811.031.050.881.101.110.94
ErythritolME170795NA0.960.981.000.831.031.050.891.091.090.95
Malic acidME170824NA0.940.971.000.761.021.040.871.091.100.92
PentitolsME170847NA0.950.971.000.781.031.060.891.121.130.94
2-KetoleucineME170749NA0.930.950.980.861.021.070.861.111.110.90
beta-AlanineME170775NA0.930.980.990.831.041.040.871.051.070.92
Glyceric acidME170806NA0.940.960.980.831.001.030.881.071.080.91
AsparagineME170772NA0.920.951.000.801.031.030.851.071.090.91
TrisaccharideME170871NA0.930.950.980.811.041.030.841.091.100.92
O-PhosphocolamineME170841NA0.940.950.990.821.041.070.881.101.100.93
6-DeoxyhexoseME170757NA0.930.950.990.821.021.050.861.091.110.91
Gluconic acidME170802NA0.940.951.000.821.031.040.891.101.100.90
3-MethyloxyindoleME170738NA1.031.031.050.841.061.000.951.031.011.01
OrnithineME170842NA1.001.031.030.851.041.000.931.041.000.96
AldopentosesME170764NA0.990.971.020.891.011.010.961.061.080.97
ProlineME170852NA0.981.001.010.901.021.010.931.021.050.97
Nicotinic acidME170835NA0.970.951.020.891.031.070.941.091.060.98
CreatinineME170785NA0.991.001.010.901.011.050.921.071.090.95
ValineME170878NA0.991.011.030.881.031.020.941.051.080.96
AlanineME170763NA0.981.001.030.871.031.040.941.061.080.96
IsoleucineME170817NA0.991.011.030.861.031.040.931.061.080.96
p-CresolME170845NA0.960.971.000.891.031.050.931.091.090.95
ThreonineME170868NA0.970.971.010.881.041.050.941.081.090.96
SerineME170857NA0.990.991.020.891.031.040.941.061.070.97
1,5-AnhydroglucitolME170741NA0.980.991.010.891.031.050.931.081.080.96
beta-Hydroxybutyric acidME170777NA0.980.991.010.891.031.040.941.071.080.96
CholesterolME170782NA0.981.001.020.881.041.060.931.071.070.96
MyoinositolME170832NA0.970.991.020.871.031.050.931.081.090.96
2-Hydroxybutyric acidME170745NA0.980.991.020.871.041.050.931.081.090.96
Citric acidME170784NA0.980.991.020.871.041.050.931.081.080.96
2-Hydroxyvaleric acidME170748NA0.981.001.000.851.031.050.901.101.120.96
Linoleic acidME170821NA0.971.001.020.861.051.070.911.091.100.94
LysineME170822NA0.970.991.030.851.051.040.921.091.100.96
Docosanoic acidME170794NA0.960.970.950.860.981.000.931.031.050.85
Fumaric acidME170799NA0.980.900.960.930.981.010.951.061.070.95
1-MethyltryptophanME170742NA0.870.900.930.881.011.060.831.151.180.81
Glycerol 1-phosphateME170808NA0.860.920.980.701.061.120.791.191.210.84
TryptophanME170873NA0.910.940.970.691.021.080.831.151.160.89
Methyl palmitateME1708300.680.890.880.900.810.991.060.821.121.140.85
Methyl stearateME1708310.750.880.890.970.851.051.110.851.161.180.84
EthanolamineME1707960.931.021.021.010.731.000.971.010.941.011.00
FructoseME1707980.950.930.951.011.081.031.070.861.081.080.91
AcetoacetateME1707590.980.930.980.990.851.011.030.921.091.140.93
Decanoic acidME1707880.950.940.960.970.891.001.030.931.081.090.95
O-MethylphosphateME1708400.920.940.961.020.851.031.070.891.111.110.90
Pyruvic acidME1708560.920.971.001.030.831.051.060.931.091.100.97
1,2-PropanediolME1707390.980.940.920.941.040.961.000.971.081.080.95
Nonanoic acidME1708380.870.980.990.990.961.061.030.961.061.050.97
beta-MonopalmitinME1707780.901.001.001.010.961.021.040.981.051.050.99
Heptadecanoic acidME1708110.900.980.991.000.951.021.040.971.071.080.97
Myristic acid or PentadecanolME1708340.920.980.990.990.961.031.030.971.071.070.98
Palmitic acidME1708430.920.980.991.010.961.021.040.971.061.070.98
GlycerolME1708070.920.991.001.010.941.031.050.951.071.070.97
Succinic acidME1708610.920.980.991.010.941.021.030.951.051.050.97
Glycolic acidME1708100.900.970.981.010.911.031.040.931.071.090.95
Pentadecanoic acidME1708460.900.970.991.000.931.011.040.941.071.080.99
Ethylene glycolME1707970.961.011.000.990.971.071.001.011.001.050.99
Gentisic acidME1708011.010.990.961.001.001.001.011.001.071.041.01
alpha-MonopalmitinME1707660.971.000.991.000.991.001.020.991.021.020.99
alpha-MonostearinME1707670.961.001.001.001.001.011.011.001.011.011.00
2-HydroxypyridineME1707470.951.001.001.010.971.031.000.981.031.031.00
1,4:3,6-DianhydroglucitolME1707400.931.000.990.990.981.011.040.981.021.031.00
beta-MonostearinME1707790.931.001.001.010.961.011.030.981.031.040.99
Stearic acidME1708600.950.991.001.000.981.011.020.991.041.040.99
ThymolME1708691.000.960.990.990.991.021.020.991.041.040.97
Arachidic acidME1707700.990.980.990.990.971.001.010.981.031.021.01
Tiglic acidME1708700.980.970.990.990.980.991.020.961.021.050.99
HomoserineME1708141.001.011.000.991.010.991.001.011.001.001.00
SucroseME1708620.991.010.971.010.970.981.030.991.011.021.01
GlucoseME1708030.591.031.041.040.971.041.041.011.041.031.02
gamma-TocopherolME1708000.770.940.971.010.801.051.090.871.151.150.91
Lauric acidME1708190.740.950.971.000.871.051.080.881.131.130.93
Aspartic acidME1707730.810.970.990.990.931.031.050.921.091.100.90
PhenolME1708490.830.940.951.010.890.981.050.881.071.130.90
Oleic acidME1708390.620.981.011.030.881.061.090.931.111.110.96
UreaME1708760.731.011.021.010.941.011.010.981.021.010.99
4-HydroxypyridineME1707550.700.991.001.010.861.041.010.951.031.050.99
GlycineME1708090.761.001.001.010.911.041.020.951.061.060.99
Lactic acidME1708180.700.991.001.020.911.031.040.951.061.070.97
Phosphoric acidME1708510.810.991.011.030.911.051.060.951.091.090.98
Prunetin or similar isoflavoneME1708530.770.960.970.970.901.001.040.931.071.071.00
Methionine sulfoxide 1ME170826NANA0.920.97NA0.960.990.931.061.060.82
CampesterolME170781NA0.820.850.94NA1.001.04NA1.101.110.74
HistidineME170813NA0.800.830.91NA0.950.99NA1.071.090.72
2-KetovalineME170750NA0.840.890.96NA0.971.02NA1.041.060.81
Docosahexaenoic acidME170793NA0.810.850.90NA0.951.02NA1.091.100.82
2-Hydroxyglutaric acidME170746NA0.880.910.94NA1.021.05NA1.191.150.85
Acetylsalicylic acidME170760NA0.930.940.95NA1.001.00NA1.061.041.02
Dehydroascorbic acidME170790NA0.930.921.01NA1.001.03NA1.071.080.88
HypotaurineME170816NA0.890.880.96NA1.011.03NA1.071.080.91
Myoinositol-2-phosphateME170833NA0.780.880.87NA0.971.030.771.071.070.78
3-Phosphoglyceric acidME170753NA0.850.920.96NA1.011.040.771.101.120.84
PseudouridineME170854NA0.900.940.99NA1.041.070.791.131.140.86
HydroxyprolinesME170815NA0.920.950.98NA0.991.030.861.101.120.90
Maleic acidME170823NA0.890.930.96NA1.021.050.841.121.120.87
3-Indolelactic acidME170752NA0.910.950.99NA1.031.060.821.111.120.88
alpha Ketoglutaric acidME170765NA0.900.930.98NA1.011.050.831.101.110.90
Aminomalonic acidME170769NA0.910.940.96NA1.011.020.871.071.070.86
CystineME170787NA0.880.920.95NA0.971.010.811.071.110.87
SerotoninME170858NA0.880.940.96NA0.991.010.821.071.080.90
Barbituric acidME170774NA0.920.940.99NA1.001.000.891.041.020.95
5-HydroxylysineME170756NA0.940.951.01NA1.011.040.911.081.110.93
Tartronic acidME170863NA0.930.970.99NA1.021.040.871.071.090.91
DehydroalanineME170789NANA0.780.88NA0.910.98NA1.071.09NA
beta-SitosterolME170780NANA0.830.88NA0.961.02NA1.071.10NA
N-Methylglutamic acidME170837NANA0.830.85NA0.951.02NA1.061.07NA
Cysteinesulfinic acidME170786NANA0.870.98NA0.961.01NA1.011.01NA
6-Hydroxynicotinic acidME170758NANA0.920.89NA0.990.93NA1.011.04NA
delta-TocopherolME170791NANA0.910.88NA0.940.99NA1.051.06NA
PyrophosphateME170855NA0.930.930.93NA0.991.02NA1.030.99NA
TryptamineME170872NA0.840.860.91NA0.981.00NA1.101.08NA
Methyl eicosatrienoateME170827NA0.760.860.86NA0.910.99NA1.081.10NA
Methyl oleateME170829NA0.800.840.85NA0.930.98NA1.041.06NA
4-Hydroxyphenylacetic acidME170754NA0.96NA0.89NA0.920.98NA1.051.04NA
Pentonic acidsME170848NA1.04NA0.99NA1.010.98NA1.011.000.96
Hexanoic acidME1708120.96NA0.920.94NA0.961.060.981.051.02NA
TetrasaccharideME170866NANA0.830.98NANA1.040.850.981.02NA

Factors:

F1Plasma Volume Extracted:0 uL
F2Plasma Volume Extracted:100 uL
F3Plasma Volume Extracted:150 uL
F4Plasma Volume Extracted:200 uL
F5Plasma Volume Extracted:25 uL
F6Plasma Volume Extracted:300 uL
F7Plasma Volume Extracted:400 uL
F8Plasma Volume Extracted:50 uL
F9Plasma Volume Extracted:600 uL
F10Plasma Volume Extracted:700 uL
F11Plasma Volume Extracted:75 uL
Data matrix
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