Clustering data with hclust algorithm for ms3076 T1D poor glycemic control and control samples (Study ST000421)

Reversed phase NEGATIVE ION MODE (Analysis AN000666)
MetaboliteStructureF1F2
2-Hydroxyethinylestradiol - 10.176795ME1421641.490.33
D1-2-Hydroxymethylethisterone - 11.279384ME1421981.440.58
D-GlucoseME1420951.480.71
Ellagic acidME1420181.200.54
Loroxanthin ester/ Loroxanthin dodecenoateME1422861.330.46
CastasteroneME1423800.571.20
O-DesmethylnaproxenME1420760.511.31
a-hydroxybutyrateME1420750.411.46
3a,7b,12a-Trihydroxyoxocholanyl-GlycineME1423400.601.54
1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerolME1423100.561.46
Lactic acidME1420500.591.41
thyrotropin releasing hormoneME1421440.621.36
5Z,11Z,14Z-eicosatrienoic acidME1422611.170.85
5beta-Androstan-3alpha-ol-17-one sulfate - 7.173876ME1421321.160.89
4Z,7Z,10Z,13Z-eicosatetraenoic acidME1422321.160.87
17a-Ethynylestradiol 2-glucuronideME1421311.170.88
Glycoursodeoxycholic acidME1421401.180.88
2,3-Dihydroxybenzoic acidME1421091.130.84
IsoacitretinME1421781.120.89
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dihydroxy-11alpha-phenylcholecalciferolME1422881.110.88
4,8-dimethyl-dodecanoic acidME1422291.120.88
Isoacitretin - 10.747422ME1421841.140.86
2-Hydroxyethinylestradiol - 10.331066ME1421671.130.87
7-palmitoleic acidME1422311.140.87
HistidineME1420431.050.96
Embelin - 13.636872ME1422521.040.96
Uric acidME1420681.040.96
Gln Trp GlnME1421571.070.95
PanaxytriolME1422141.060.94
3-Methylsuberic acidME1421261.060.95
3-Methyl-2-oxovaleric acid - 3.8886838ME1421031.050.95
PROTOVERATRINE AME1420471.050.95
8R-hydroxy-9Z-octadecenoic acidME1423681.020.93
9R-hydroxy-12E-octadecenoic acidME1422231.060.91
UridineME1420661.060.92
clavulone I - 10.765902ME1423571.040.92
DL-12-hydroxy stearic acidME1423671.050.93
13E,17-octadecadienoic acidME1422361.110.93
5-octadecylenic acidME1422961.130.91
clavulone IME1423531.080.88
Ellagic acid - 3.0870278ME1423281.090.92
Met His LysME1423311.090.92
3-Methyl-2-oxovaleric acidME1420961.080.92
5-MethoxyindoleacetateME1424021.080.93
D1-2-Hydroxymethylethisterone - 11.506317ME1422061.080.90
Dihydroxyacetone (glycerone)ME1420711.080.91
Purine - 1.1767727ME1420651.100.90
Stearic acidME1423071.090.90
9,12,14-octadecatrienoic acidME1422221.280.82
Pregnanolone sulfateME1423391.270.78
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] - 14.669076ME1423141.260.78
Pyrocatechol sulfateME1420851.150.75
19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfateME1423301.180.76
PhenolME1421001.160.77
4,7,10,13,16-docosapentaenoic acidME1422581.210.85
DesmosineME1421731.250.81
1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferolME1422201.230.81
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-dihydroxy-24-oxocholecalciferolME1423561.220.80
9,12,14-octadecatrienoic acid - 12.930276ME1422261.200.80
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acidME1421351.190.79
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] - 14.429592ME1423051.200.79
D1-2-Hydroxymethylethisterone - 11.426857ME1422011.180.83
2-propyl-tridecanoic acidME1422791.190.82
2-propyl-tridecanoic acid - 14.683501ME1423121.190.81
3,9,15-Docosatriynoic acidME1422281.340.70
Indoxylsulfuric acidME1421061.340.67
20alpha-Dihydroprogesterone glucuronideME1420641.240.63
Loroxanthin ester/ Loroxanthin dodecenoate - 14.5606ME1423131.280.67
4-Hydroxybenzenesulfonic acidME1421011.280.73
Lys Trp ArgME1423691.210.69
Hippuric acidME1421081.240.70
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6]ME1422871.230.72
2-Hydroxyadipic acidME1420510.691.25
MethylglyoxalME1420490.681.24
13E,17-octadecadienoic acid - 13.613921ME1422490.851.23
Isoacitretin - 14.180219ME1422730.811.26
Glycoursodeoxycholic acid - 8.836754ME1423410.761.20
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamineME1421070.771.21
Arg Phe Arg - 10.677579ME1421770.751.22
2-HydroxyethinylestradiolME1421620.751.24
EmbelinME1421430.761.23
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-22-oxachole - 13.704973ME1423810.751.17
PRISTIMEROLME1422720.721.20
1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerolME1422540.791.18
Murocholic acid - 12.997159ME1422270.781.18
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid (Gemfibrozil M1)ME1421560.801.19
Sodium tetradecyl sulfateME1421850.801.18
Embelin - 14.705376ME1423110.821.16
5-octadecylenic acid - 14.302397ME1423000.851.17
O-BENZYL-l-SERINEME1421550.831.18
Val Arg PheME1421960.751.10
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-22-oxacholeME1422590.781.15
TeasteroneME1422570.781.12
2-amino-4^-hydroxy-PropiophenoneME1420810.961.04
ISOEUGENITOLME1423220.961.04
2-ISOPRENYL-3-HYDROXY-5-METHYL-a-PYRONEME1421390.951.03
Gemfibrozil M2ME1421990.951.03
Ser His HisME1421480.941.06
Benzyl alcoholME1421120.941.05
Lauric acidME1422110.931.05
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy - 13.600336ME1423790.921.04
Phosphoglycolic acidME1420830.931.03
Tyr Arg LeuME1423440.941.04
Embelin - 14.135789ME1422780.981.01
TetrahydrofuranME1420990.991.01
Murocholic acid - 10.139921ME1423470.991.01
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epivitamin D3 / (22S)-1alpha,22,2ME1423780.991.01
Isoquinoline N-oxideME1421250.991.01
Glu Tyr ThrME1423510.991.02
FexofenadineME1421760.981.02
TryptophanME1420900.981.02
methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoateME1421420.961.01
Teasterone - 13.719101ME1422600.971.02
Murocholic acidME1422251.010.99
4^-Apo-3,4-didehydrolycopene/ (4-Apo-3^,4^-didehydrolycopene)ME1423701.010.99
Arg Ser PheME1423341.010.99
KOBUSONEME1421461.001.00
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16,17-acetonideME1423461.001.00
Embelin - 14.246171ME1422941.001.00
Glucoheptonic acidME1420911.020.98
cyclandelateME1421651.030.99
4,7,10,13-docosatetraenoic acidME1422671.030.98
BilirubinME1423191.030.98
MonensinME1423881.010.97
IndoleME1420891.030.96
TRIDESACETOXYKHIVORINME1423641.020.96
B-ureidoisobutyric acidME1424030.971.11
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-22-oxachole - 13.802342ME1422620.871.10
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxyME1422210.881.09
L-SerineME1420440.881.08
alpha-HydroxytriazolamME1420690.881.13
isoamyl nitriteME1420630.881.12
2-Hydroxyethinylestradiol - 13.766247ME1422430.901.10
LeucineME1420770.901.10
Arg Ala PheME1422830.891.11
ProlineME1420610.891.11
Isoarachidic acidME1423910.931.11
10-methyl-hexadecanoic acidME1423150.931.09
5beta-Androstan-3alpha-ol-17-one sulfate - 7.3669353ME1421340.921.08
D1-2-HydroxymethylethisteroneME1421920.921.08
Embelin - 9.617185ME1421540.911.09
Testosterone sulfateME1421290.911.09
5beta-Androstan-3alpha-ol-17-one sulfateME1421270.911.07
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dihydroxy-11alpha-phenylcholecalciferol - 14.712189ME1423170.901.08
Isoacitretin - 10.9078665ME1421870.911.08
3-Amino-3-(4-hydroxyphenyl)propanoateME1420730.861.12
Arg Asn GlnME1422400.851.11
PurineME1420190.851.11
IsoleucineME1420740.841.14
a-hydroxybutyrate - 2.692548ME1420780.831.12
Hexacosanedioic acidME1423040.821.13
Teasterone - 14.130692ME1422710.811.12
Phosphoglycolic acid - 3.6416552ME1420920.871.05
O-Desmethylnaproxen - 2.6897879ME1420790.851.07
gamma-Hydroxyphenylbutazone glucuronideME1421520.831.07
Arg Phe ArgME1421690.841.07
Embelin - 13.489656ME1422350.841.08

Factors:

F1treatment:ND
F2treatment:T1D poor glycemic control
Data matrix
  logo