Clustering data with hclust algorithm for (Study ST002094)

HILIC NEGATIVE ION MODE (Analysis AN003422)
MetaboliteStructureF1F2
11-beta-hydroxyandrosterone-3-glucuronideME5081191.001.00
1,2-Dihexanoyl-sn-glycerolME5076890.001.75
11-beta-hydroxyandrosterone-3-glucuronide -2.8804998ME5084432.330.00
15-HETE-GME5078700.001.75
1-(4^-Hydroxyphenyl)ethanolME5069680.791.16
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha-cholesta-7,24(28)-dien-9-one -1.213ME5093211.001.00
1,2,3-Tris(chloromethoxy)propaneME5069300.001.75
1?,25-dihydroxy-11?-(2-hydroxyethyl)vitamin D3 / 1?,25-dihydroxy-11?-(2-hydroxyethyl)cholecalciferolME5084361.001.00
1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylateME5093151.001.00
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha-cholesta-7,24(28)-dien-9-oneME5081180.001.75
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane -1.2933571ME5070010.001.75
11-acetoxy-3beta,6alpha-dihydroxy-9,11-seco-5alpha-cholest-7-en-9-one.ME5078680.001.75
11-Deoxocucurbitacin IME5084440.001.75
15-HETE-G -1.408ME5093330.001.75
16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl esterME5081211.001.00
1,2-Epoxy-3,4-butanediol 4-methanesulfonateME5071000.901.08
1,3,5-Trimethoxybenzene -1.856ME5081160.001.75
12-HydroxydihydrochelirubineME5093271.001.00
1(3)-glyceryl-PGH2 -3.342ME5093131.001.00
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid -1.0675ME5084450.001.75
13,14-dihydro-15-keto Prostaglandin J2ME5076910.001.75
1,3-Dimethyluric acid -2.1017199ME5067550.581.31
1,3,7-Trimethyluric acidME5071011.001.00
1,3-DideacetylkhivorinME5084301.001.00
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acidME5093291.001.00
11beta-HydroxyprogesteroneME5093230.001.75
15(R)-17-phenyl trinor PGF2? isopropyl esterME5084501.001.00
(10S)-Juvenile hormone III acid diolME5084191.001.00
12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acidME5093301.001.00
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane -1.3615ME5084371.001.00
14-hydroperoxy-5Z,8Z,11Z,15E-eicosatetraenoic acidME5074490.001.75
10-nitro,9Z,12Z-octadecadienoic acidME5084401.001.00
1,4-DioxaneME5074480.001.75
1,2-Dihydroxynaphthalene-6-sulfonateME5093161.001.00
10-dodecynoic acidME5072040.001.75
1,3,5-TrimethoxybenzeneME5084290.001.75
11,12-dihydroxy stearic acidME5067900.511.37
1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanolME5070001.420.68
11-lauroleic acid -1.174ME5093241.001.00
(10S)-Juvenile hormone III acid diol -1.21525ME5078602.330.00
12-Hydroxybenzo[a]pyreneME5093261.001.00
13,14-dihydro-15-keto-tetranor PGF1?ME5093311.001.00
10-HODTA methyl esterME5084390.001.75
(10S)-Juvenile hormone III acid diol -1.3820001ME5076841.001.00
10-HydroxydihydrosanguinarineME5093201.001.00
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acidME5084350.001.75
1,3-Dideacetylkhivorin -3.255ME5084321.001.00
16-FeruloyloxypalmitateME5093341.001.00
13Z-octadecenoic acidME5076921.400.70
11-hydroperoxy-12,13-epoxy-9-octadecenoic acidME5072790.001.75
1,3,5-Trimethoxybenzene -2.024ME5093171.001.00
1,3-BenzenedisulfonamideME5081171.250.81
10,15-Octadecadienoic acid, 9,12,13-trihydroxy-ME5093181.001.00
1,3-Dideacetylkhivorin -2.5254998ME5084311.001.00
1,3-Diphenyltetramethyldisiloxane -2.121ME5084341.001.00
1,3-DiphenyltetramethyldisiloxaneME5084331.001.00
(10S)-Juvenile hormone III acid diol -1.532ME5092931.001.00
13-Hydroxypergolide glucuronide -1.5965ME5084482.330.00
14-methyl-20,14-retro-retinoic acidME5084492.330.00
13-Hydroxypergolide glucuronideME5078691.001.00
13(S)-HODEME5068581.740.44
1,3-Dimethyluric acidME5068030.821.14
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid -1.2915001ME5084460.001.75
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid -3.0349998ME5084472.330.00
1(3)-glyceryl-PGH2ME5081151.001.00
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilaneME5076900.001.75
11-beta-hydroxyandrosterone-3-glucuronide -2.4794998ME5084422.330.00
11S-hydroxy-hexadecanoic acidME5071021.460.65
15-HETE-G -1.35ME5093320.001.75
15-Oxo-5?-cholan-24-oic AcidME5068820.001.75
11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-oneME5093220.001.75
10-Desacetyltaxuyunnanin CME5093191.001.00
11-lauroleic acidME5067011.180.86
1,2?-EpoxydeacetoxydihydrogeduninME5078671.001.00
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazoleME5078662.330.00
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid -1.3483334ME5081201.001.00
1,1,2-TriphenylpropaneME5073461.130.90
11-lauroleic acid -1.35ME5093251.001.00
11?-ethynyl-1?,25-dihydroxyvitamin D3 / 11?-ethynyl-1?,25-dihydroxycholecalciferolME5084410.001.75
10-(beta-Dimethylaminopropionyl)phenothiazineME5075430.921.06
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane -1.5554999ME5073471.001.00
10-Desacetyltaxuyunnanin C -3.255ME5084381.001.00
1,2-Dihexanoyl-sn-glycerol -1.6905ME5084270.001.75
1,2-Epoxy-3,4-butanediol 4-methanesulfonate -1.6905ME5084281.900.32
12-HydroxyergometrineME5093281.001.00

Factors:

F1Group:Case-High PA PI-IBS
F2Group:Case-Low PA PI-IBS
Data matrix
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