Clustering data with hclust algorithm for (Study ST002512)

(Analysis AN004136)
MetaboliteStructureF1F2F3F4F5F6F7F8F9F10F11F12F13
lauroylcarnitineME6056850.130.630.093.28NA0.300.710.284.041.150.871.030.79
7-MethyladenineME6052820.330.560.395.43NA0.220.850.294.670.150.160.220.31
OctanoylcarnitineME6055340.080.590.035.09NA0.190.600.134.820.170.140.220.23
decanoylcarnitineME6056760.120.59NA4.64NA0.210.610.164.220.340.210.360.32
Hexanoyl-carnitineME6054130.080.840.035.03NA0.330.920.354.240.340.300.520.65
2-Methylbutyryl-carnitineME6052590.501.660.224.10NA0.501.330.333.190.290.330.360.62
Nicotinamide ribosideME6055310.630.620.674.26NA0.410.530.513.720.440.380.380.58
Nicotinic acidME6055320.770.970.874.95NA0.090.750.233.090.280.370.350.49
SarcosineME6055901.703.384.190.03NA0.110.660.620.040.060.070.070.05
SN-GLYCERO-3-PHOSPHOCHOLINEME6055880.122.470.110.32NA0.491.140.540.990.472.690.703.27
N6-AcetyllysineME6055221.493.960.680.34NA0.561.280.400.160.881.180.790.89
N-AcetylornithineME6055211.713.441.990.40NA0.661.380.790.200.280.320.320.29
OrnithineME6055361.972.982.040.05NA0.841.180.900.020.350.400.380.48
HomocitrullineME6056841.652.861.220.61NA0.771.470.660.260.640.930.600.44
N-Acetyl-carnosineME6055091.752.911.460.62NA0.360.550.810.271.170.730.900.40
AgmatineME6052891.650.410.423.49NA1.060.340.352.190.670.720.820.76
4-HydroxyquinolineME6052691.130.831.243.07NA0.500.480.691.440.730.650.810.79
PyridoxineME6055801.311.211.303.77NA0.430.530.541.380.460.470.550.59
Pentaethylene glycolME6055421.021.460.772.93NA0.670.690.660.690.730.880.791.32
Pro-ValME6055741.631.751.152.47NA0.440.530.530.670.710.810.780.94
1,4-D-XylobioseME6052271.070.921.112.09NA0.700.650.792.560.620.610.640.63
N-Acetyl-tryptophanME6055140.801.130.803.20NA0.520.700.522.880.680.570.620.41
Myristoyl-carnitineME6055040.390.850.371.97NA0.560.890.642.371.221.121.291.01
Xanthurenic acidME6056720.930.841.411.80NA0.310.400.981.530.870.511.280.70
7,8-DihydrobiopterinME6052810.780.661.072.13NA0.570.490.821.871.210.710.980.97
coproporphyrin iiiME6056750.910.870.972.57NA0.500.480.611.360.901.190.991.16
DIETHANOLAMINEME6053600.791.000.962.03NA0.590.800.821.351.020.970.931.07
CytidineME6053561.650.901.570.79NA2.210.851.770.530.240.190.300.29
IsocytosineME6054511.112.211.251.52NA0.731.300.871.150.450.570.660.33
PhenylacetaldehydeME6055571.192.030.870.77NA1.062.110.780.800.620.760.620.53
CarnitineME6053480.640.850.670.94NA1.691.171.191.450.770.730.841.15
1-(1Z-Hexadecenyl)-sn-glycero-3-phosphocholineME6052280.960.841.140.93NA1.351.431.671.630.390.480.410.48
1-(1Z-Octadecenyl)-sn-glycero-3-phosphocholineME6052290.810.970.970.75NA1.081.491.461.260.190.340.450.30
2^-O-MethylcytidineME6052561.651.621.201.12NA1.381.351.100.720.460.430.440.30
Ala-ProME6053071.651.460.910.96NA1.291.141.141.170.510.640.580.57
His-ProME6054261.280.940.950.90NA1.600.871.240.970.580.671.040.76
Arg-ProME6053181.181.160.830.81NA1.701.411.301.290.460.480.740.52
Lys-ProME6054851.221.190.941.06NA1.301.451.221.140.550.570.730.53
CitrullineME6053512.061.871.770.27NA1.211.341.270.130.310.520.330.38
DEOXYCARNITINEME6053591.640.941.490.11NA1.531.511.230.210.680.660.650.78
XanthosineME6056712.040.971.660.80NA1.420.701.300.410.770.360.420.62
3alpha,6alpha-MannotrioseME6052651.401.001.420.76NA1.041.371.100.300.750.750.830.77
5-Methyl-2^-deoxycytidineME6052761.601.541.440.61NA1.190.971.090.290.880.870.830.31
5-METHYLCYTOSINEME6052751.641.551.440.62NA1.170.951.060.270.890.890.840.31
N2-MethylguanosineME6055251.581.471.580.65NA1.140.891.300.310.840.490.740.52
GuanosineME6054111.891.251.730.74NA1.210.771.200.380.640.570.610.50
N2,N2-DimethylguanosineME6055241.691.321.641.04NA1.160.801.120.430.650.580.580.65
N,N^-DiacetylchitobioseME6055051.541.261.560.90NA1.100.891.140.420.680.690.720.77
6^^-O-AcetyldaidzinME6052781.090.860.930.44NA0.890.560.840.181.511.401.781.33
SissotrinME6056060.921.050.990.59NA0.820.851.010.291.211.521.361.29
SpinosineME6056080.951.111.020.58NA0.851.021.050.291.251.311.400.96
TMAOME6056111.600.870.940.76NA0.800.531.000.401.520.751.261.17
N-2-HydroxycyclopentyladenosineME6055081.331.041.450.75NA0.840.611.020.261.131.051.081.14
1-MethyladenosineME6052351.241.031.310.58NA0.980.641.170.351.110.871.350.95
1-MethylguanosineME6052371.211.051.250.61NA1.000.721.120.351.221.051.130.99
3-MethylcytidineME6052631.151.161.160.67NA0.830.741.090.241.291.141.211.02
MelezitoseME6054921.101.041.210.50NA1.140.911.190.481.010.991.081.04
LactoseME6054581.351.221.310.64NA1.110.941.130.280.910.990.900.94
MaltotrioseME6054911.351.171.390.71NA1.120.921.180.270.870.920.880.89
Lys-Asp-LysME6054801.130.961.311.14NA0.710.530.820.551.051.051.391.25
DaidzinME6053621.080.941.231.11NA1.060.781.140.490.811.100.980.86
CholineME6053501.081.131.141.03NA0.930.940.980.860.940.980.970.99
Ala-Asp-LysME6052921.181.001.131.33NA0.830.700.880.810.951.031.061.15
UreaME6056501.181.081.121.17NA0.830.740.900.831.031.011.041.10
Gly-Ala-ArgME6053881.080.931.011.09NA0.920.960.910.661.101.001.241.04
Ser-Gly-ArgME6055951.101.131.081.05NA0.870.800.910.661.081.001.141.16
3-HydroxyoleylcarnitineME6052620.790.910.970.85NA0.830.741.001.271.110.741.611.06
Oleoyl-carnitineME6055350.641.200.940.67NA0.781.101.170.961.051.011.410.92
PalmitoylcarnitineME6055390.601.000.800.67NA0.680.921.090.891.291.181.611.20
3alpha,4beta,3alpha-GalactotetraoseME6052641.000.801.220.59NA1.261.041.390.880.890.630.970.93
SucroseME6056100.870.671.030.51NA1.090.871.391.041.080.871.211.06
InosineME6054501.270.971.200.80NA1.070.991.120.850.870.880.830.99
Glycerophospho-N-palmitoylethanolamineME6054071.101.121.331.02NA0.990.931.121.080.710.980.770.71
WogonosideME6056691.131.001.141.12NA1.170.911.181.330.700.780.760.72
LinoleoylcarnitineME6054790.841.391.050.95NA0.921.261.221.150.780.710.990.63
Phe-ProME6055520.861.150.750.87NA1.150.981.061.191.031.031.050.97
Kynurenic acidME6054551.100.931.831.27NA0.510.531.310.740.890.661.180.51
1-Methyl nicotinamideME6052391.380.821.541.11NA0.680.691.280.691.400.490.790.70
Guanidinosuccinic acidME6054091.380.801.451.38NA0.880.561.150.841.180.390.960.66
Pipecolic acidME6055621.390.971.401.99NA0.890.600.931.320.590.600.730.59
SaccharopineME6055891.470.991.511.99NA0.890.321.020.970.550.590.580.70
Asp-AspME6053311.781.151.532.18NA0.810.580.780.670.560.640.550.84
Asp-GluME6053341.701.151.512.11NA0.880.650.860.960.500.540.500.67
S-succinylcysteineME6055871.551.101.492.02NA0.830.620.860.870.600.630.640.80
PutrescineME6055781.051.491.361.23NA0.780.961.090.740.730.501.000.90
XanthineME6056701.471.651.381.15NA0.850.870.990.730.650.720.491.05
5-MethylcytidineME6052771.591.491.381.29NA0.920.770.930.620.731.170.520.58
PelargonidinME6055201.761.141.261.26NA0.880.660.890.820.890.850.840.68
N-AcetylglutamineME6055231.151.431.401.62NA0.791.031.021.240.450.630.740.47
PyroGlu-ProME6055821.331.281.371.48NA1.051.021.101.090.480.650.560.51
alpha-Asp-GlyME6056731.761.131.611.74NA0.980.680.990.920.500.470.490.59
Asp-IleME6053381.591.391.471.65NA0.980.851.010.930.420.560.560.53
BicineME6053461.521.341.351.70NA0.830.720.810.960.690.830.630.72
Asp-Asp-ArgME6053321.551.291.401.77NA0.900.760.870.850.580.740.580.76
Asp-Asp-LysME6053331.541.231.401.80NA0.920.750.890.890.590.690.580.76
alpha-Asp-LysME6056741.551.251.481.59NA0.940.760.960.860.560.640.620.72
Asp-SerME6053411.601.241.441.67NA0.880.720.950.810.610.710.610.73
Asp-ArgME6053301.481.301.481.48NA0.950.750.970.820.570.710.700.69
N-Carboxyethyl-gamma-aminobutyric acidME6055151.451.231.341.49NA0.870.760.890.890.750.790.740.80
Asp-HisME6053371.701.241.641.61NA0.830.680.930.660.590.570.650.74
PyroGlu-MetME6055811.501.021.561.53NA0.930.741.140.770.570.640.720.64
4,6-Diamino-5-formamidopyrimidineME6052671.331.631.181.48NA0.811.020.810.920.640.940.620.83
Cyclo ? Asn-ProME6053541.391.401.291.56NA0.820.890.861.070.640.850.610.75
N-MethylthreonineME6055191.621.601.401.76NA0.770.910.780.800.580.790.530.56
Pro-AlaME6055631.531.611.301.56NA0.780.920.730.810.670.700.770.68
Pro-SerME6055721.651.441.231.44NA0.870.900.690.810.780.800.810.67
Glu-GlnME6053821.671.571.661.52NA0.740.810.700.590.540.850.680.63
Gly-Asp-ArgME6053901.361.621.571.27NA0.860.980.880.610.490.800.710.75
ectoineME6056781.401.541.561.56NA0.800.930.920.800.540.650.660.57
gamma-Glu-epsilon-LysME6056801.471.561.441.36NA0.910.940.970.800.540.650.610.67
Thiamine CationME6056181.070.601.641.63NA0.860.521.271.050.770.560.701.06
CreatinineME6053531.310.751.041.48NA1.030.540.931.090.900.901.021.04
Ferulic acid methyl esterME6053671.080.621.111.34NA1.010.460.961.300.870.961.061.29
DiosminME6053640.930.791.021.31NA0.850.740.951.430.911.001.011.19
4,5,7-TrihydroxyisoflavoneME6052661.030.950.991.19NA1.020.891.021.320.820.960.910.98
GlyciteinME6054081.050.931.101.33NA0.880.750.931.460.811.060.890.93
IsovitexinME6054531.010.911.071.35NA0.870.830.961.480.840.890.851.06
Kaempferol-3-O-rutinosideME6054541.120.891.211.66NA0.970.721.051.440.650.620.780.93
Demethoxycentaureidin 7-O-rutinosideME6053630.930.811.101.53NA0.830.711.001.600.720.810.911.19
VitexinME6056681.060.891.201.56NA0.760.570.941.590.820.830.911.00
MethylguanidineME6052361.241.301.081.32NA0.770.870.880.890.821.030.920.98
His-GlyME6054201.081.361.101.28NA0.980.891.050.860.770.860.980.77
Val-GluME6056531.131.171.001.34NA1.050.931.001.070.740.900.840.90
His-MetME6054251.331.191.091.40NA1.190.780.830.990.841.010.720.77
PhenylacetylglutamineME6055581.291.161.111.31NA0.850.710.931.091.070.970.850.70
Malonyl-carnitineME6054901.120.981.201.61NA0.800.760.971.180.950.740.840.88
Nipecotic acidME6055331.220.951.281.57NA0.950.780.991.060.750.700.850.86
2-Methyl-4-oxo-4H-pyran-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranosideME6052581.240.971.351.77NA0.860.741.051.050.590.750.720.91
7-MethylguanineME6052831.281.181.291.55NA0.870.861.011.120.720.680.700.72
PyroGlu-ValME6055831.411.061.331.79NA0.860.730.991.190.610.720.650.68
His-Pro, cyclo?ME6054271.301.251.271.80NA0.800.750.891.160.620.750.660.89
TRH, free acidME6056121.341.151.241.68NA0.850.760.871.100.740.830.730.82
N-AcetylhistidineME6055121.241.131.431.36NA0.810.821.040.920.790.670.880.73
N(2)-AcetyllysineME6055281.361.011.271.51NA0.780.610.850.821.050.730.971.01
Val-LysME6056601.261.041.221.55NA0.810.700.880.900.930.860.890.98
5-(Galactosylhydroxy)-lysineME6052741.320.911.331.55NA0.860.610.980.830.900.770.851.02
Asp-Gly-LysME6053361.301.031.371.46NA0.870.680.930.800.810.770.901.03
Gly-Glu-ArgME6053931.251.001.261.40NA0.890.700.940.830.860.880.921.04
AnserineME6053121.030.971.101.69NA0.630.710.951.140.960.791.071.04
Gly-valME6054061.131.291.171.54NA0.720.680.791.130.820.980.941.00
Methacholine cationME6055001.131.101.301.42NA0.680.730.941.150.760.990.880.94
Ile-Ile-ArgME6054421.911.051.951.73NA0.350.200.650.160.790.830.981.20
4-Pyridoxic acidME6052721.451.131.581.65NA0.290.280.480.431.141.101.091.46
4-Guanidinobutyric acidME6052681.340.941.361.64NA0.360.490.720.261.061.311.301.22
Tyr-ArgME6056411.110.991.531.54NA0.400.250.760.211.341.141.391.19
Pro-ThrME6055731.891.871.481.58NA0.500.660.460.350.800.870.950.71
Gly-ThrME6054051.822.081.621.39NA0.250.340.340.300.921.001.110.94
ProlineME6055751.792.121.761.42NA0.250.490.420.090.921.010.900.87
Gly-GluME6053921.722.781.751.51NA0.250.400.370.260.630.980.830.71
Gly-SerME6054042.062.452.081.67NA0.180.220.220.200.650.750.830.61
N-MethylhistidineME6055171.362.590.920.36NA0.360.770.350.121.491.561.351.07
Gly-PheME6054000.842.280.670.95NA0.600.700.530.671.281.341.431.13
pyridoxalME6056941.442.230.921.06NA0.480.810.480.441.171.720.790.93
Gly-HisME6053951.472.191.540.98NA0.260.300.360.131.131.221.391.10
His-AsnME6054161.391.701.400.80NA0.430.420.530.271.221.281.461.08
His-AspME6054171.551.831.460.77NA0.230.230.340.121.551.211.511.18
Gly-Pro-AlaME6054021.442.371.191.04NA0.650.930.610.400.841.120.880.70
Pro-GlnME6055661.772.351.440.96NA0.660.830.550.300.740.910.850.70
TRIGONELLINEME6056131.371.911.471.44NA0.610.940.880.390.610.690.870.76
N-6-TrimethyllysineME6055291.471.911.280.97NA0.861.070.810.470.770.910.780.71
Pro-GlyME6055681.441.661.340.96NA0.830.950.750.450.811.130.890.76
Pro-GluME6055671.282.011.031.38NA0.640.970.590.710.791.200.870.88
GalactosamineME6053681.381.841.271.13NA0.590.790.670.610.851.200.890.96
N-Methylglutamic acidME6055161.391.711.211.28NA0.680.850.720.830.791.150.760.84
glucosamineME6056831.451.331.200.57NA0.780.880.790.221.061.680.961.06
CystineME6053551.651.361.650.85NA0.850.590.810.270.860.990.821.09
AsparagineME6053421.501.801.430.70NA0.640.870.730.190.961.170.980.94
ThreonineME6056351.411.691.320.77NA0.710.920.750.270.991.160.990.99
delta(5)-HydroxylysineME6056771.421.571.341.02NA0.670.700.710.350.901.211.081.02
His-ThrME6054291.441.501.390.85NA0.540.540.680.411.101.231.171.11
Pro-HisME6055691.271.431.141.01NA0.880.800.820.560.901.031.180.97
StachydrineME6056091.171.551.301.16NA0.610.880.760.390.911.081.011.24
4-IMIDAZOLEACETIC ACIDME6052702.051.332.510.95NA0.500.490.810.170.500.570.820.65
HydroxyprolineME6054342.451.861.981.88NA0.500.680.700.230.320.450.430.33
DL-LanthionineME6053611.881.551.861.67NA1.030.821.040.710.220.350.280.33
Proline-hydroxyprolineME6055761.761.431.851.68NA0.900.881.030.660.290.390.510.33
Gly-ProME6054012.281.991.701.80NA0.720.760.760.810.210.260.410.26
Pro-ProME6055711.862.051.471.42NA0.861.060.870.790.360.430.490.31
1-MethylhistamineME6052381.211.161.981.48NA0.690.781.291.030.320.320.890.32
HistamineME6054321.091.051.832.33NA0.790.841.191.410.170.210.500.38
N-AcetylcytidineME6055101.421.161.641.81NA0.990.881.111.270.390.080.310.20
1-Hexadecyl-sn-glycero-3-phosphocholineME6052341.151.291.310.87NA0.880.791.040.69NANA0.880.26
BiliverdinME6053471.031.241.051.40NA0.901.310.981.080.300.110.03NA
Lys-IleME6054810.461.200.410.43NA3.190.680.490.461.131.321.161.38
Ser-GlnME6055930.681.250.610.60NA2.670.850.680.560.901.240.981.18
Gln-SerME6053770.611.100.540.33NA2.200.850.720.571.051.441.261.39
Ser-SerME6056020.721.140.630.74NA1.960.830.730.600.981.361.081.46
Gln-Val-LysME6053800.440.820.410.40NA1.562.680.921.080.851.270.820.91
PropionylcarnitineME6055770.080.830.031.20NA1.461.870.812.690.680.690.851.56
(R)-ButyrylcarnitineME6052240.071.270.031.16NA1.001.610.942.110.830.801.251.56
(2R)-3-HydroxyisovaleroylcarnitineME605223NA1.90NA0.53NA1.720.751.031.350.360.500.791.29
AcetylcarnitineME6052860.081.330.030.73NA1.961.240.831.810.840.881.191.65
N6-(1-Iminoethyl)-lysineME6055270.230.370.190.15NA0.130.212.190.081.440.913.142.27
3-HydroxyhexadecanoylcarnitineME6052610.360.640.281.28NA0.400.550.431.801.831.232.261.37
Pantothenic acidME6055410.321.110.321.62NA0.190.350.231.181.832.201.522.06
6-MethyladenosineME6052800.050.340.26NANANA0.030.73NA1.071.031.831.63
Ala-Leu-ArgME605302NA1.000.02NANA0.020.150.170.181.541.251.611.68
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholineME6052450.361.170.150.46NA0.431.020.340.972.131.741.223.12
1,2-Dilinoleoyl-sn-glycero-3-phosphocholineME6052250.281.070.190.43NA0.641.230.501.172.221.471.132.68
Palmitoyleicosapentaenoyl phosphatidylcholineME6055400.361.010.210.43NA0.501.110.451.002.181.781.272.39
1,2-dioleoyl-sn-glycero-3-phosphatidylcholineME6052260.201.310.120.30NA0.471.200.371.742.320.931.692.34
1-Hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholineME6052330.351.700.220.53NA0.501.060.391.512.241.291.091.90
1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholineME6052470.412.020.240.67NA0.360.750.380.922.111.341.152.68
Lys-Pro-LysME6054860.512.220.380.47NA0.530.830.790.371.331.361.252.53
Ala-Phe-LysME6053060.142.130.170.17NA0.100.260.370.241.791.901.932.88
Val-Val-LysME6056660.042.010.060.13NA0.350.800.470.431.831.561.841.88
Met-ValME6054990.240.250.330.27NA0.560.540.720.911.542.011.603.57
9(10)-Epoxy-12Z-octadecenoic acidME6052840.410.340.530.48NA0.380.300.650.501.591.742.013.41
Met-IleME6054960.320.420.390.39NA0.410.400.540.591.662.381.943.09
NiacinamideME6055300.181.150.150.08NA0.220.510.390.282.222.601.813.12
Phe-Glu-ArgME6055460.350.250.280.47NA0.190.170.290.191.992.161.894.07
AdenosineME6052880.180.510.200.41NA0.170.480.320.402.042.721.723.67
Arg-Pro-ArgME6053190.070.650.070.10NA0.450.440.330.252.082.281.844.00
Ala-Glu-ArgME6052950.380.510.410.23NA1.560.480.520.311.671.701.862.66
Gln-Ile-LysME6053740.260.910.270.21NA0.991.460.740.621.322.501.381.79
gamma-Aminobutyric acidME6056790.570.610.530.63NA1.020.660.400.381.522.211.612.30
Val-HisME6056550.451.080.420.36NA0.800.880.680.381.202.501.442.31
Met-ArgME6054930.080.860.080.17NA0.500.560.370.332.431.752.571.56
Ser-ArgME6055920.140.780.100.18NA0.350.430.390.222.791.703.241.40
D-erythro-N-stearoylsphingosineME6053580.460.610.560.36NA0.410.350.630.452.771.542.111.78
SpermineME6056070.740.760.840.42NA0.170.680.420.432.121.762.401.20
1-O-Hexadecyl-2-O-(2E-butenoyl)-sn-glyceryl-3-phosphocholineME605241NA0.080.03NANA0.010.040.110.082.181.752.261.98
Phe-Ile-LysME605549NA0.830.040.06NA0.110.240.220.181.912.271.932.22
Phe-ArgME6055440.190.480.230.25NA0.330.640.480.312.392.522.471.99
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamineME6052510.170.450.200.15NA0.310.380.470.402.582.792.272.23
Leu-Ile-ArgME6054660.190.420.210.37NA0.190.280.310.482.682.612.432.30
lysoPC 22:1ME6056910.080.090.090.09NA0.160.490.440.472.622.582.772.42
lysoPC 20:1ME6056890.070.340.140.11NA0.270.550.540.512.492.492.522.27
lysoPC 20:2ME6056900.120.310.150.14NA0.250.500.470.462.402.752.542.28
Val-Leu-ArgME6056580.050.540.060.34NA0.230.490.320.642.352.122.052.29
1-Oleoyl-sn-glycero-3-phosphoethanolamineME6052440.120.500.130.19NA0.270.590.480.532.322.692.182.50
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamineME6052460.140.580.180.19NA0.340.580.530.572.292.662.142.27
1-Oleoyl-sn-glycero-3-phosphocholineME6052430.260.480.290.31NA0.410.550.600.632.152.422.182.05
Leu-TyrME6054760.150.320.220.26NA0.490.440.510.692.332.422.292.24
Ile-Val-ArgME6054480.120.350.100.16NA0.170.310.320.242.962.442.642.57
RiboflavinME6055840.140.580.120.28NA0.200.380.330.392.672.382.292.78
Leu-Leu-ArgME6054680.060.240.070.14NA0.250.620.470.422.542.112.642.58
Leu-Ala-ArgME6054590.220.420.180.23NA0.240.450.590.232.722.012.672.19
Arg-LysME6053160.220.630.210.28NA0.610.340.390.312.302.002.562.48
Ile-Gly-LysME6054390.190.850.220.26NA0.270.320.380.312.392.392.602.19
Phe-LysME6055510.250.460.260.30NA0.310.320.340.342.512.362.582.32
Asn-Gly-LysME6053240.210.530.210.31NA0.300.420.450.322.462.002.672.38
His-LysME6054240.170.560.180.21NA0.310.370.420.262.372.222.812.37
Palmitic acid alkyneME6055370.400.330.490.36NA0.250.200.410.281.962.262.602.71
gamma-GlutamylmethionineME6056820.400.690.360.27NA0.200.280.290.162.362.622.272.57
Val-Leu-LysME6056590.140.900.140.23NA0.310.460.420.452.192.192.332.74
Leu-Ala-LysME6054600.130.670.130.21NA0.210.440.370.352.262.332.482.90
Leu-Ile-LysME6054670.130.620.150.19NA0.270.480.440.332.152.252.512.93
Asn-ValME6053290.190.880.310.24NA0.210.480.500.282.002.402.482.36
Asn-Pro-LysME6053270.220.440.280.20NA0.310.420.490.292.122.372.522.66
Trp-LysME6056390.240.560.300.35NA0.310.420.480.372.182.352.362.45
Arg-PheME6053170.180.650.160.13NA0.480.940.370.182.552.802.101.87
Lys-PheME6054840.280.800.200.09NA0.670.370.220.172.212.702.711.95
Ala-PheME6053050.380.830.360.42NA0.480.570.550.751.462.381.982.32
Val-SerME6056620.460.670.420.56NA0.600.580.560.711.582.461.851.96
Pro-ArgME6055650.390.600.330.44NA0.460.550.520.421.992.521.992.21
Leu-PheME6054720.220.600.230.30NA0.500.540.510.861.942.492.012.33
Leu-TrpME6054750.280.600.340.32NA0.510.700.630.741.892.421.862.12
Val-MetME6056610.260.520.260.34NA0.550.570.671.051.662.181.862.58
Phe-IleME6055480.380.530.540.35NA0.760.550.620.641.612.181.802.36
Ser-ValME6056030.410.670.360.38NA0.900.650.650.841.612.031.722.15
TaurineME6056150.351.130.300.46NA0.820.530.430.361.721.701.822.93
Thr-Pro-LysME6056300.340.770.310.51NA0.430.770.620.581.971.901.772.46
Gly-Pro-LysME6054030.320.840.310.31NA0.440.690.610.401.922.301.832.46
Met-Gln-LysME6054950.311.020.250.45NA0.450.730.630.601.722.171.602.39
Glu-Leu-LysME6053840.370.870.330.49NA0.340.630.550.561.772.101.852.66
Ile-Glu-LysME6054380.331.120.410.51NA0.390.690.560.561.552.061.792.55
Ala-Pro-ArgME6053080.341.150.310.42NA0.500.990.720.531.681.881.552.38
Ser-Pro-LysME6056010.261.070.290.22NA0.520.840.680.401.622.071.792.70
Arg-LeuME6053150.190.830.200.14NA0.560.890.520.251.922.072.142.71
Gly-Gln-ArgME6053910.350.650.400.40NA0.420.550.540.342.111.952.032.60
Asp-Leu-LysME6053390.360.820.310.29NA0.300.520.480.301.842.292.082.74
Leu-Glu-LysME6054640.340.940.320.41NA0.250.370.420.331.952.132.102.96
Leu-Leu-LysME6054690.350.780.320.44NA0.310.500.370.422.042.181.992.85
ArginineME6053210.370.630.191.02NA0.410.470.400.542.012.352.012.17
Tyr-Leu-LysME6056440.550.560.440.65NA0.370.330.440.402.372.122.042.09
Ile-ArgME6054360.180.430.210.27NA0.880.740.570.562.212.152.181.86
Leu-ArgME6054610.210.700.240.29NA0.580.890.630.592.172.012.311.57
Gln-ArgME6053700.320.820.340.44NA0.450.580.610.472.371.652.471.58
Thr-ArgME6056200.330.760.370.42NA0.750.690.700.542.041.652.241.60
Val-ArgME6056520.280.620.340.50NA0.500.640.660.702.201.762.311.66
1-Heptadecanoyl-sn-glycero-3-phosphocholineME6052320.350.730.380.36NA0.530.730.690.732.062.031.911.76
Gly-Ile-ArgME6053960.200.770.200.28NA0.630.820.830.921.771.732.111.99
Ser-Leu-LysME6055980.330.700.430.48NA0.910.450.550.481.941.692.271.95
Thr-Gly-ArgME6056250.431.030.390.43NA0.380.670.620.492.151.642.111.89
Val-Gly-LysME6056540.460.700.420.66NA0.440.530.530.542.261.722.031.99
gamma-GlutamylleucineME6056810.590.850.530.51NA0.340.370.420.341.972.062.142.21
BetaineME6053440.430.650.430.51NA0.410.670.610.351.821.752.242.34
Lys-LysME6054830.430.860.420.45NA0.580.450.540.382.021.752.192.15
Gly-Gly-LysME6053940.280.790.290.28NA0.310.490.520.302.342.032.562.02
His-ArgME6054150.200.770.290.27NA0.460.590.550.342.341.952.332.14
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholineME6052500.290.800.360.30NA0.380.460.530.512.252.352.141.95
lysoPC 19:0ME6056880.250.850.350.26NA0.360.520.540.612.542.082.061.88
Ala-Leu-LysME6053030.161.140.130.25NA0.380.750.580.641.991.882.192.35
Ala-Ile-LysME6053000.191.170.220.30NA0.290.620.440.461.942.412.102.45
Val-Ile-LysME6056570.111.060.100.35NA0.370.790.550.601.902.292.102.33
Gly-Ile-LysME6053970.271.040.220.26NA0.650.750.440.361.972.412.062.04
Thr-Ile-LysME6056280.250.860.230.36NA0.390.650.510.421.912.162.282.36
Thr-Val-LysME6056340.230.800.220.39NA0.400.570.440.562.102.152.392.13
Met-LysME6054970.290.640.380.56NA0.460.550.610.621.942.022.132.13
Leu-LysME6054700.320.790.370.42NA0.520.600.560.541.872.182.072.12
Ser-Ile-LysME6055970.330.860.280.36NA0.510.780.610.461.782.182.042.17
Ile-Ile-LysME6054430.480.520.540.48NA0.300.350.640.241.711.902.632.25
Met-TrpME6054980.600.430.930.62NA0.440.370.880.301.342.131.792.21
Asp-ProME6053400.930.800.790.60NA0.220.220.310.161.881.972.072.33
Leu-Pro-LysME6054740.560.770.510.61NA0.370.430.530.312.052.101.692.49
L-gamma-Glutamyl-glutamic acidME6054570.710.930.670.56NA0.400.490.490.231.692.161.692.36
TarginineME6056140.770.880.850.52NA0.460.500.590.231.751.751.672.19
Gln-Glu-LysME6053730.530.730.560.53NA0.550.600.710.481.641.661.892.36
Thr-Glu-LysME6056240.630.710.610.66NA0.480.460.590.431.731.801.952.20
Aspartic acidME6053431.241.280.960.85NA0.200.280.260.171.562.241.481.90
MethionineME6055010.521.180.430.25NA0.220.390.310.182.192.512.122.16
Thr-GluME6056230.791.770.470.45NA0.340.530.370.221.592.011.961.98
PhenylalanineME6055590.681.430.540.25NA0.420.630.440.241.882.191.921.69
AlanineME6053110.881.570.750.39NA0.220.430.350.151.832.141.791.84
IsoleucineME6054520.791.420.630.33NA0.270.480.410.181.912.211.901.79
Tyr-GluME6056420.641.340.510.47NA0.400.510.500.321.642.091.882.11
LeucineME6054770.601.180.510.32NA0.340.530.470.261.982.231.961.94
N6,N6-dimethyllysineME6055260.711.190.570.36NA0.430.670.460.181.911.951.891.97
ThymidineME6056360.770.690.710.31NA0.600.480.530.182.442.462.210.54
ThymineME6056370.790.680.750.32NA0.650.490.590.212.272.432.150.55
DeoxyguanosineME6052540.920.530.880.44NA0.760.440.700.282.052.002.060.74
GuanineME6054100.920.580.880.53NA0.750.570.730.341.951.911.940.73
DeoxyinosineME6052550.940.600.900.38NA0.890.610.830.351.831.861.920.64
2^-DeoxycytidineME6052531.010.541.000.48NA0.940.530.860.241.641.931.810.76
CytosineME6053571.000.540.980.47NA0.880.510.830.221.721.961.850.78
Gln-Leu-LysME6053750.330.760.390.30NA1.770.770.500.431.941.681.731.61
Arg-AlaME6053130.260.910.280.35NA1.140.850.750.732.051.442.141.18
Ser-LysME6055990.350.990.370.39NA1.250.610.590.451.981.602.041.55
Monolinolenin (9c,12c,15c)ME6055030.320.350.360.35NA0.521.181.050.582.341.522.250.97
PhytosphingosineME6055610.320.560.490.59NA0.840.770.881.102.030.782.411.04
Val-IleME6056560.460.720.420.80NA1.010.930.912.100.901.481.041.77
Tyr-SerME6056460.580.560.430.55NA1.410.800.790.991.201.201.361.98
Phe-SerME6055530.751.050.650.83NA1.480.990.760.940.991.331.061.44
Ala-IleME6052980.610.580.710.93NA0.940.831.001.211.191.241.221.71
Phencyclidine???ME6055560.570.560.510.88NA0.881.040.961.231.271.321.181.88
Thr-ValME6056330.740.790.660.92NA1.050.870.851.131.071.461.121.65
Leu-GluME6054630.671.010.510.73NA1.050.950.781.211.081.811.041.61
Tyr-IleME6056430.550.860.610.68NA1.020.990.941.001.021.651.181.78
Gln-AlaME6053690.291.140.320.40NA1.241.310.881.061.131.401.441.71
Arg-ValME6053200.411.320.360.39NA1.730.820.580.561.481.511.521.65
Gln-GlnME6053710.501.080.560.43NA1.591.040.860.591.141.591.411.36
1-Myristoyl-sn-glycero-3-phosphocholineME6052400.210.310.230.24NA0.681.431.181.581.521.641.581.55
lysoPC 16:1ME6056860.200.360.190.22NA0.581.351.041.261.611.871.681.85
Trp-IleME6056380.340.710.330.31NA0.931.020.931.071.102.141.292.26
Leu-GlnME6054620.430.830.400.49NA0.930.980.841.171.132.021.371.85
Leu-MetME6054710.560.980.430.58NA0.660.840.741.251.201.861.392.00
Ala-LeuME6053010.360.570.380.48NA0.840.830.821.551.112.051.551.90
Ile-SerME6054470.450.550.420.52NA0.880.920.891.370.981.871.342.23
Phe-ValME6055550.370.730.360.53NA0.830.910.771.531.101.551.322.55
Phe-LeuME6055500.380.610.400.42NA0.720.750.721.111.321.891.482.71
Tyr-ValME6056470.340.800.350.48NA0.590.830.700.911.481.881.672.41
Ile-IleME6054410.300.450.340.44NA1.070.560.621.311.351.881.652.53
Val-ValME6056650.300.470.300.55NA0.650.640.741.531.441.991.542.41
N,N-Diethyl-2-aminoethanolME6055060.651.020.610.63NA0.680.690.650.691.341.541.462.43
Leu-HisME6054650.541.160.510.47NA0.810.880.760.591.142.001.452.09
Thr-AlaME6056190.561.110.440.58NA0.760.960.770.871.061.701.382.27
UracilME6056490.411.480.450.55NA0.541.060.730.931.381.871.281.83
Ala-GlnME6052930.471.480.390.45NA1.151.090.700.751.111.861.201.85
Gln-ValME6053790.591.150.520.40NA0.930.870.670.991.221.881.531.61
Ile-GlnME6054370.761.250.490.53NA0.950.920.710.871.192.011.261.47
CarnosineME6053490.811.360.740.71NA0.740.810.930.590.971.641.191.77
Phe-GlnME6055450.651.190.720.48NA0.920.850.960.871.061.641.231.64
Gln-ThrME6053780.541.400.510.49NA1.110.930.740.741.251.401.541.61
Glu-ThrME6053850.661.450.540.65NA0.820.990.760.661.131.721.361.61
His-IleME6054220.631.440.500.57NA0.711.100.750.651.321.531.531.57
His-LeuME6054230.511.310.500.53NA0.771.140.860.751.191.551.501.66
Ser-AlaME6055910.581.310.540.66NA0.610.740.670.701.351.681.681.81
Pro-LysME6055700.721.090.630.84NA0.680.980.820.791.341.451.401.49
Ser-Val-LysME6056040.611.120.550.76NA0.710.830.840.741.441.471.501.68
Ala-Ala-ArgME6052900.741.090.760.55NA0.610.860.750.491.631.431.671.49
Thr-Ser-LysME6056310.601.310.670.64NA0.620.800.830.601.441.261.671.71
Ile-Pro-IleME6054460.261.570.160.45NA0.430.700.530.631.882.251.851.89
Lys-ThrME6054870.401.100.400.41NA1.100.740.660.521.541.691.861.85
Gly-Leu-LysME6053980.201.260.180.35NA0.600.950.640.681.981.761.812.03
Ala-LysME6053040.311.350.300.45NA0.650.980.780.761.651.651.811.64
Val-Ala-LysME6056510.271.550.220.46NA0.530.990.810.891.681.681.611.88
Gly-LysME6053990.391.250.350.41NA0.580.730.570.442.091.792.141.49
Ala-Ile-ArgME6052990.501.040.450.65NA0.540.710.700.691.761.491.901.83
Ala-Val-LysME6053100.401.220.410.61NA0.420.590.590.711.751.761.912.06
Thr-Leu-LysME6056290.411.200.350.45NA0.560.700.620.611.811.722.021.88
His-TyrME6054300.401.230.210.29NA0.560.860.530.351.701.842.151.70
Gln-LysME6053760.421.570.420.35NA0.690.670.590.431.691.841.881.81
His-ValME6054310.381.330.350.38NA0.600.930.660.491.611.931.851.85
1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholineME6052310.650.910.630.44NA0.550.670.650.481.932.231.521.60
lysoPC 22:6ME6056920.550.940.480.49NA0.470.730.570.711.722.281.711.73
N-AcetylglucosamineME6055110.530.890.580.68NA0.460.550.570.652.161.791.541.84
EthanolamineME6053660.560.890.540.73NA0.380.450.540.541.882.091.851.90
His-GluME6054190.831.010.710.87NA0.350.320.460.311.792.001.941.66
CreatineME6053520.190.820.700.85NA0.880.870.860.781.421.511.491.81
1-Palmitoyl-sn-glycero-3-phosphocholineME6052480.480.920.520.52NA0.650.830.840.891.601.801.651.52
lysoPC 18:2ME6056870.410.570.490.53NA0.720.700.890.931.631.921.751.64
lysoPC 24:1ME6056930.620.720.720.52NA0.750.780.830.761.751.561.701.31
Val-TrpME6056640.690.790.650.78NA0.630.600.710.941.601.651.641.54
Ser-Pro-ArgME6056000.690.820.630.69NA0.590.610.650.791.591.681.562.02
Ile-LysME6054440.550.910.510.69NA0.750.770.660.651.561.791.641.83
Tyr-LysME6056450.570.800.510.69NA0.610.640.660.601.751.811.861.73
Ala-ThrME6053090.710.870.610.83NA0.780.700.720.891.251.711.361.94
Glu-LeuME6053830.540.950.430.72NA0.600.810.690.781.361.911.562.11
His-HisME6054211.111.731.060.57NA0.410.460.490.211.141.811.401.90
H-gamma-glutamyl-glutamineME6054121.001.211.070.51NA0.600.690.760.221.441.701.391.41
Linoleoyl ethanolamideME6054780.731.300.960.42NA0.550.740.780.421.542.051.371.24
Palmitoyl ethanolamideME6055380.731.221.060.47NA0.550.730.880.471.501.781.321.30
Ser-HisME6055960.871.780.770.55NA0.570.560.570.281.341.621.761.55
LysineME6054890.901.330.810.55NA0.500.690.530.261.591.771.581.71
ValineME6056670.871.480.820.35NA0.360.650.460.181.771.941.701.63
Indole-6-carboxaldehydeME6054490.901.430.770.38NA0.480.690.560.291.611.861.761.43
TryptophanME6056400.881.440.770.36NA0.440.660.550.251.651.881.811.47
His-SerME6054281.041.271.010.77NA0.480.460.520.311.471.661.651.49
SerineME6056051.131.531.000.52NA0.420.660.510.141.481.751.481.57
S-SulfocysteineME6055861.151.371.080.89NA0.440.340.600.501.351.381.711.24
Glutamic acidME6053861.171.701.000.91NA0.600.900.600.451.131.391.121.27
GlutamineME6053871.261.801.140.66NA0.630.940.670.281.161.371.131.02
HistidineME6054331.231.771.150.57NA0.480.760.580.181.291.501.301.27
Methioninesulfoxide [M+H]+ME6055021.331.790.880.52NA0.460.790.530.251.241.631.451.36
Asn-SerME6053281.111.811.160.76NA0.430.630.530.261.211.551.531.10
His-GlnME6054181.071.681.070.58NA0.510.580.600.291.281.831.431.21
His-AlaME6054140.801.550.700.58NA0.800.830.810.561.311.571.451.20
TyrosineME6056480.941.690.860.53NA0.690.980.700.411.351.501.381.09
Thr-GlnME6056220.861.430.690.77NA0.980.830.750.601.111.391.291.56
Ala-Glu-LysME6052960.811.500.750.76NA0.650.770.770.581.201.401.321.79
Ala-Gly-LysME6052970.871.280.740.74NA0.690.900.790.691.311.261.391.50
Thr-ThrME6056320.891.290.710.90NA0.650.700.700.761.201.311.481.68
N(6)-MethyllysineME6055181.001.290.950.77NA0.650.810.750.421.311.321.341.47
Ser-GlyME6055941.101.450.980.96NA0.540.630.640.481.201.571.261.43
Gln-GluME6053720.841.640.770.71NA0.890.910.740.591.071.541.201.38
Ile-HisME6054400.841.860.760.70NA0.760.970.760.600.921.511.141.51
Ile-ProME6054450.971.820.810.97NA0.500.650.630.471.141.321.471.54
Thr-HisME6056270.971.890.790.67NA0.660.720.720.471.051.391.311.65
Glu-AlaME6053810.761.430.720.88NA0.881.180.880.880.971.231.121.31
Ala-GluME6052940.741.540.621.00NA0.940.850.641.000.991.621.021.59
Lys-ValME6054880.771.450.681.28NA0.650.840.701.031.151.361.161.35
Leu-ProME6054730.991.220.771.24NA0.410.470.580.481.311.411.611.82
S-AdenosylmethionineME6055850.810.860.921.04NA0.500.590.760.671.701.061.451.74
N-AcetylmannosamineME6055130.881.080.780.82NA0.550.560.670.591.611.631.381.61
Thr-Gly-LysME6056260.800.890.700.90NA0.530.480.590.571.731.471.881.63
DimethylarginineME6055071.120.901.001.58NA0.660.520.710.781.131.171.131.53
PyridoxamineME6055790.820.750.941.35NA0.700.660.841.061.201.081.381.32
Met-GlnME6054940.920.950.921.06NA0.820.710.700.670.971.771.191.61
AMINOADIPICME6052851.001.180.900.98NA0.690.890.780.741.151.441.151.30
Phe-ThrME6055540.951.150.851.00NA0.730.660.770.940.961.431.191.67
Val-ThrME6056630.841.070.781.02NA0.750.710.740.991.171.531.231.49
Arg-GluME6053140.900.921.050.97NA0.740.510.810.441.381.651.411.23
Thr-Asp-LysME6056211.020.891.041.08NA0.760.660.820.661.181.211.311.42
Asn-Ile-LysME6053250.810.910.841.00NA0.700.600.760.621.341.421.551.57
Asn-Glu-LysME6053230.930.890.941.03NA0.730.670.770.671.351.251.341.53
Asp-Gly-ArgME6053350.900.940.930.93NA0.710.670.790.591.301.221.531.53
Urocanic acidME6052711.030.601.440.50NA0.360.210.810.111.641.451.771.77
1-AcetylimidazoleME6052300.900.581.280.72NA0.450.370.830.451.701.051.721.71
5^-MethylthioadenosineME6052730.980.601.040.79NA0.390.330.740.331.831.171.682.06
2,2^,2^^-NitrilotriethanolME6052570.430.740.821.44NA0.310.500.580.652.091.671.691.29
6-BiopterinME6052790.720.720.870.96NA0.520.601.110.751.970.991.471.18
Asn-ArgME6053220.731.010.700.79NA0.540.590.660.511.891.411.931.29
Gly-ArgME6053890.700.950.660.71NA0.710.770.650.621.971.191.991.08
ErgothioneineME6053650.761.620.541.32NA0.540.750.521.180.981.081.132.27
Phe-AlaME6055431.162.350.570.49NA0.771.080.680.910.881.440.801.43
Phe-GlyME6055470.741.910.610.68NA1.241.200.881.320.761.170.791.11
Lys-LeuME6054820.391.880.340.46NA0.771.230.840.821.251.481.371.57
Ala-Ala-LysME6052910.191.610.180.28NA0.661.421.060.951.271.391.362.04
Pro-Ala-LysME6055640.371.860.310.31NA0.831.621.120.781.111.251.001.79
AdenineME6052870.382.310.441.36NA0.271.430.471.411.061.201.071.39
HypoxanthineME6054350.402.060.380.65NA0.481.680.711.440.831.390.732.04
Taurocholic acidME6056160.240.580.240.26NA0.220.170.280.302.951.703.102.09
Asn-Phe-LysME6053260.060.080.030.04NA0.040.060.120.063.241.832.832.22
Tauroursodeoxycholic acidME6056170.140.490.120.11NA0.140.140.160.213.762.072.931.94
Betaine aldehyde cationME6053450.140.170.180.11NA0.130.150.270.222.133.332.433.41
L-Leucyl-leucine methyl esterME6054560.120.260.140.20NA0.250.150.190.122.322.862.433.63
1-Pentadecanoyl-sn-glycero-3-phosphocholineME6052490.020.030.030.02NA0.010.010.150.253.063.402.722.87
DeoxyadenosineME6052520.030.050.020.10NA0.090.080.090.062.733.523.282.39
1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholineME6052420.090.160.080.19NA0.722.571.172.881.080.650.761.71
3-HydroxybutyrylcarnitineME6052600.032.910.020.17NA0.651.740.831.660.730.751.051.49
PhosphocholineME6055600.042.990.010.02NA0.461.120.731.62NA0.030.010.19

Factors:

F1SampleType:Cecal | Group:15644
F2SampleType:Cecal | Group:2243
F3SampleType:Cecal | Group:AB12n2
F4SampleType:Cecal | Group:GF
F5SampleType:- | Group:-
F6SampleType:LI | Group:15644
F7SampleType:LI | Group:2243
F8SampleType:LI | Group:AB12n2
F9SampleType:LI | Group:GF
F10SampleType:SI | Group:15644
F11SampleType:SI | Group:2243
F12SampleType:SI | Group:AB12n2
F13SampleType:SI | Group:GF
Data matrix
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