Clustering data with hclust algorithm for Combined Metabolomics and Lipidomics of Type 1 Diabetes (GCMS) (Study ST000057)

MS positive ion mode (Analysis AN000095)
MetaboliteStructureF1F2
3-hydroxybutanoic acidME6519771.740.46
fructoseME6520211.750.45
dodecanolME6520180.981.01
pyruvic acidME6521050.991.01
putrescineME6521020.991.01
malic acidME6520700.991.01
hydrocinnamic acidME6520480.991.01
beta-alanineME6520020.991.01
gamma-glutamyl-valineME6520290.991.01
lauric acidME6520631.001.00
fumarateME6520251.001.00
glutamineME6520361.001.00
sophoroseME6521131.010.99
4-hydroxybenzoateME6519791.010.99
hydroxylamineME6520501.010.99
glycineME6520421.011.00
allantoic acidME6519901.011.00
beta-sitosterolME6520031.011.00
stigmasterolME6521160.921.06
lactamideME6520600.921.06
glyceric acidME6520380.921.06
glutamic acidME6520350.921.06
alanineME6519890.921.06
fructose-6-phosphateME6520220.921.06
myristic acidME6520780.941.05
xanthosineME6521390.931.05
taurineME6521220.931.05
2,3,5-trihydroxypyrazine NISTME6519650.931.05
aminomalonic acidME6519930.931.05
linolenic acidME6520670.951.04
glutaric acidME6520370.951.04
3-phosphoglycerateME6519780.951.04
aconitic acidME6519860.951.04
homoserineME6520470.941.04
stearic acidME6521150.941.04
methionine sulfoxideME6520750.961.03
isobutene glycol NISTME6520560.961.03
deoxytetronic acid NISTME6520160.961.03
delta-4-cholestenoneME6520150.961.03
arabitolME6519950.961.03
allantoinME6519910.961.03
2-phenylpropanol NISTME6519740.961.03
adipic acidME6519880.961.03
uridineME6521360.971.02
pelargonic acidME6520930.971.02
2-hydroxyglutaric acidME6519710.971.02
2-hydroxyvaleric acidME6519720.971.02
phenylethylamineME6520950.981.02
thymineME6521260.981.02
tagatoseME6521201.110.92
trihydroxypyrazineME6521301.110.92
uric acidME6521351.130.91
monopalmitin-1-glycerideME6520761.120.91
5-hydroxyindole-3-acetic acid NISTME6519831.120.91
glyoxalurea NISTME6520441.120.91
sucroseME6521181.080.94
arachidic acidME6519961.080.94
2-ketoisocaproic acidME6519731.080.94
4-hydroxybutyric acidME6519801.080.94
threitolME6521231.070.95
levoglucosanME6520651.070.95
hydroxycarbamate NISTME6520491.070.95
cytidine-5^-diphosphateME6520141.070.95
glycolic acidME6520431.070.95
myo-inositolME6520771.020.99
orotic acidME6520861.020.98
ornithineME6520851.020.98
2,3-dihydroxybutanoic acid NISTME6519661.020.98
N-acetyl-D-tryptophanME6520791.020.98
5-hydroxymethyl-2-furoic acid NISTME6519841.030.98
trans-4-hydroxyprolineME6521281.030.98
heptadecanoic acidME6520451.060.96
raffinoseME6521061.050.96
capric acidME6520051.050.96
galactinolME6520261.050.96
fucose 1 + rhamnose 2ME6520231.030.97
1-monostearinME6519641.050.97
xylitolME6521401.040.97
threonineME6521251.040.97
phenylalanineME6520941.040.97
2-deoxytetronic acidME6519691.040.97
alpha ketoglutaric acidME6519921.040.97
2-aminoadipic acidME6519680.661.25
adenosine-5-phosphateME6519870.651.25
N-methylalanineME6520830.711.21
arachidonic acidME6519970.701.22
tryptophanME6521310.691.22
5-methoxytryptamineME6519850.761.18
azelaic acidME6520000.741.19
glycerol-alpha-phosphateME6520410.721.20
xanthineME6521380.731.20
3,6-dihydro-3,6-dimethyl-2,5-bishydroxypyrazine NISTME6519760.881.08
trehaloseME6521290.881.09
pyrophosphateME6521040.881.09
propane-1,3-diol NISTME6521000.881.09
4-hydroxyprolineME6519810.881.09
conduritol beta expoxideME6520100.881.09
nicotinamideME6520810.901.07
1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethoxy-TMS NISTME6519630.901.08
hippuric acidME6520460.901.08
pyrazine 2,5-dihydroxy NISTME6521030.891.08
aspartic acidME6519990.891.08
linoleic acidME6520660.891.08
uracilME6521330.861.10
succinic acidME6521170.861.10
methanolphosphateME6520730.861.10
oxoprolineME6520880.861.10
lactic acidME6520610.871.10
lysineME6520680.871.09
hypoxanthineME6520510.851.11
tocopherolME6521270.841.11
5b-cholestanolME6519820.841.12
prolineME6520990.841.12
ribitolME6521070.821.13
palmitic acidME6520890.821.13
cholesterolME6520060.821.13
cysteineME6520120.821.13
methionineME6520740.791.15
cholic acidME6520070.801.15
sulfuric acidME6521190.801.15
tyrosineME6521320.791.16
oleic acidME6520840.781.16
glycerol-3-galactoside NISTME6520400.781.16
maleimideME6520690.781.16
citrullineME6520091.150.89
xyloseME6521411.160.88
glycerolME6520391.190.86
inulobioseME6520551.170.87
ureaME6521341.180.87
cystineME6520131.180.87
isocitric acidME6520571.180.87
mannoseME6520721.240.82
pinitol NISTME6520971.250.82
2,3-dihydroxypyridineME6519671.210.85
isoleucineME6520581.200.85
valineME6521371.200.85
leucineME6520641.230.83
benzoic acidME6520011.230.83
citric acidME6520081.230.83
N-acetylglycine NISTME6520801.210.84
(s)-(+)-mandelic acidME6519611.220.84
serineME6521111.220.84
arabinoseME6519941.220.84
galacturonic acidME6520281.220.84
oxalic acidME6520871.330.76
butyrolactam NISTME6520041.340.75
nicotinic acidME6520821.340.75
glucoseME6520311.370.73
parabanic acid NISTME6520921.370.73
erythritolME6520191.350.74
galactonic acidME6520271.350.74
ribonic acidME6521081.360.74
idonic acid NISTME6520521.360.74
ethanolamineME6520201.360.74
glucose-1-phosphateME6520321.360.74
phosphoethanolamineME6520961.270.80
isothreonic acidME6520591.270.80
pantothenic acidME6520911.270.80
saccharic acidME6521101.290.79
asparagineME6519981.280.80
taloseME6521211.280.80
shikimic acidME6521121.280.79
dihydroabietic acidME6520171.280.79
glucose-6-phosphateME6520331.280.79
pipecolic acidME6520981.310.77
riboseME6521091.300.78
3,6-anhydrogalactoseME6519751.300.78
indole-3-lactateME6520531.300.78
gluconic acid lactoneME6520301.570.58
sorbitolME6521141.630.54
maltoseME6520711.490.64
fucose 2ME6520241.510.63
lactobionic acidME6520621.510.63
glucuronic acidME6520341.460.66
2-hydroxy-2-methylbutanoic acidME6519701.440.68
pseudo uridineME6521011.420.69
1,5-anhydroglucitolME6519620.111.65
threonic acidME6521240.591.30
palmitoleic acidME6520900.491.37
creatinineME6520110.501.37
inosineME6520540.501.37

Factors:

F1Diagnosis:Diabetic
F2Diagnosis:Non-diabetic
Data matrix
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