Clustering data with hclust algorithm for (Study ST002977)

HILIC POSITIVE ION MODE (Analysis AN004887)
MetaboliteStructureF1F2F3F4
1-(2-ETHYLBUTYL)-N-{2-[(2-METHYLPROPANOYL)SULFANYL]PHENYL}CYCLOHEXANE-1-CARBOXAMIDEME7704242.170.20NANA
1,1-DIMETHYLPIPERIDINIUMME7697991.131.24NANA
1-(2-ETHYL-2-METHYL-TETRAHYDROPYRAN-4-YL)HEXAN-1-ONEME7697880.361.92NANA
1-[2-(1H-IMIDAZOL-5-YL)ETHYL]-3-PHENETHYL-THIOUREAME7707840.362.02NANA
[1-[2-(4-METHOXYPHENYL)ETHYL]-4-PIPERIDYL]AMINEME7706012.300.05NANA
1-(1H-INDOL-4-YLOXY)-3-[(PROPAN-2-YL)AMINO]PROPAN-2-OLME7706591.660.71NANA
1-(2-ISOPROPOXYPHENYL)PIPERAZINEME7699572.150.21NANA
1-(3,4-DIMETHOXYPHENYL)-2-(ETHYLAMINO)PENTAN-1-ONEME7702931.301.05NANA
(10S,13S)-10-ISOPROPYL-9-METHYL-13-METHYLOL-3,9,12-TRIAZATRICYCLO[6.6.1.04,15]PENTADECA-1,4(15),5,7-TETRAEN-11-ONEME7696800.791.59NANA
1-(1-NAPHTHYL)-3-(2-PYRIDYL)UREAME7704390.102.22NANA
1-(1-ETHYL-3,5-DIMETHYL-PYRAZOL-4-YL)SULFONYLISONIPECOTIC ACIDME7694930.571.78NANA
12(13)-EPOMEME7691571.450.92NANA
1-(2-NAPHTHYL)-2-PYRROLIDINO-PENTAN-1-ONEME7692600.851.53NANA
1-[2-[2-[2-[2-[2-(2-BUTOXY-1-METHYL-ETHOXY)-1-METHYL-ETHOXY]-1-METHYL-ETHOXY]-1-METHYL-ETHOXY]-1-METHYL-ETHOXY]-1-METHYL-ETHOXY]PROPAN-2-OLME7690110.591.09NANA
[1,1^-BIPHENYL]-2,2^-DIOLME7694850.761.61NANA
1,2,3,3-TETRAMETHYLNORBORNAN-2-OLME7690070.142.23NANA
1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACIDME7691390.751.62NANA
1,2,3,4-TETRAHYDROQUINOLINE-6-CARBOXYLIC ACIDME7690350.501.88NANA
1-[(2-{4-[BROMO(DIFLUORO)METHOXY]PHENYL}-2-METHYLPROPOXY)METHYL]-3-PHENOXYBENZENEME7708771.620.76NANA
1,2-DI-(9Z,12Z-HEPTADECADIENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINEME7692970.651.72NANA
(12Z,15Z)-9,10,11-TRIHYDROXYOCTADECA-12,15-DIENOIC ACIDME7706631.341.03NANA
1-(1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)BUTAN-1-ONEME7691641.031.35NANA
1-(2,3-DIMETHYLPHENYL)-2-(ETHYLAMINO)PROPAN-1-ONEME7697661.151.22NANA
1-(2-HYDROXYETHYL)-3-METHYL-6,7-DIHYDRO-5H-INDAZOL-4-ONEME7698141.640.74NANA
1-(11Z-EICOSENOYL)-2-(9Z,12Z-HEPTADECADIENOYL)-GLYCERO-3-PHOSPHOCHOLINEME7692290.332.03NANA
1-(1,3-BENZODIOXOL-4-YL)-2-(METHYLAMINO)PROPAN-1-ONEME7699891.650.72NANA
1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATEME7691862.090.29NANA
1-(2,6-DIMETHYLPHENYL)-2H-TETRAZOLE-5-THIONEME7691160.981.39NANA
1-(2-HYDROXYETHYL)-2,2,6,6-TETRAMETHYL-PIPERIDIN-4-OLME7701081.770.58NANA
1,2-DIPENTADECANOYL-SN-GLYCERO-3-PHOSPHO-(1^-SN-GLYCEROL)ME7704181.361.02NANA
1-(1,3,11-TRIHYDROXY-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)ETHANONEME7695740.911.46NANA
1,2-DIHEPTADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEME7700521.171.21NANA
1,2-DI-(9E-HEXADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINEME7693650.891.49NANA
1-(3,4-DIMETHOXYPHENYL)-2-(METHYLAMINO)PROPAN-1-ONEME7701990.581.79NANA
1-(2-CHLOROACETYL)NIPECOTAMIDEME7690881.450.83NANA
13,14-DIHYDRO-15-KETO-PGD2ME7702250.721.61NANA
11-HYDROXY-UNDECANOIC ACIDME7696161.390.98NANA
1-(2,6-DICHLORO-4-PYRIDINYL)-3-[(1,3-DIMETHYL-4-PROPAN-2-YL-6-PYRAZOLO[3,4-B]PYRIDINYL)AMINO]UREAME7700341.301.07NANA
(12Z,15Z)-7,9,10-TRIHYDROXYOCTADECA-12,15-DIENOIC ACIDME7694660.951.41NANA
10-NITROOLEIC ACIDME7702740.312.03NANA
1-[2-(ETHOXYMETHYL)-4-IMINO-1H,4H,5H-IMIDAZO[4,5-C]QUINOLIN-1-YL]-2-METHYLPROPAN-2-OLME7705181.051.32NANA
10-AMINO-DECANOIC ACIDME7702951.810.56NANA
1-(2-BROMOPHENYL)-3,5-DIMETHYL-PYRAZOLEME7709200.751.62NANA
1-(2-HYDROXYETHYL)-3-(2-METHOXYPHENYL)UREAME7697120.951.41NANA
12-HYDROXYJASMONIC ACIDME7700631.530.83NANA
1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEME7703781.121.25NANA
1-{[2-(4-ETHOXYPHENYL)-2-METHYLPROPOXY]METHYL}-3-PHENOXYBENZENEME7704052.170.20NANA
1-(1-ADAMANTYL)-3-(1-PROPYL-4-PIPERIDYL)UREAME7698740.331.89NANA
12-HYDROXYSENECIONAN-11,16-DIONE 4-OXIDEME7698951.850.52NANA
[1-(2H-1,3-BENZODIOXOL-5-YL)PROPAN-2-YL](ETHYL)AMINEME7707660.521.85NANA
1,2-DI-(9Z-HEPTADECENOYL)-SN-GLYCERO-3-PHOSPHOETHANOLAMINEME7698471.390.98NANA
1-(2,5-DIMETHOXYPHENYL)-3-PROPYL-THIOUREAME7705271.720.66NANA
1-(2-METHYL-3,4-DIHYDRO-2H-QUINOLIN-1-YL)ETHANONEME7706181.810.56NANA
1,3,3A,4,5,6,7,8,9,10,11,12,13,13A-TETRADECAHYDROCYCLODODECA[C]FURANME7709440.052.32NANA
1-[(2,5,8A-TRIMETHYL-5-METHYLOL-1,4,4A,6,7,8-HEXAHYDRONAPHTHALEN-1-YL)METHYL]-4-METHYLENE-7-OXABICYCLO[4.1.0]HEPTANE-2,3,5-TRIOLME7693841.860.51NANA
1-(3,4-DICHLOROPHENYL)-3-[2-(1H-IMIDAZOL-5-YL)ETHYL]UREAME7705990.362.02NANA
1-(2-CHLOROBENZYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC ACIDME7699100.302.08NANA
1-(3,4-DIHYDROXY-5-METHOXY-PHENYL)-7-(3,4-DIHYDROXYPHENYL)HEPTAN-3-ONEME7702231.850.52NANA
(1,3,5-TRIMETHYLPYRAZOL-4-YL)METHANOLME7691761.161.21NANA
(11E,15Z)-9,10,13-TRIHYDROXYOCTADECA-11,15-DIENOIC ACIDME7704821.470.89NANA
1-(1-HYDROXY-1-METHYL-ETHYL)-3A-METHYL-6,10-DIMETHYLENE-2,3,4,5,7,8,9,11,12,12A-DECAHYDRO-1H-CYCLOPENTACYCLOUNDECENE-5,9-DIOLME7693622.120.25NANA
(10E,15Z)-9,12,13-TRIHYDROXYOCTADECA-10,15-DIENOIC ACIDME7697250.851.51NANA
12-KETODEOXYCHOLIC ACIDME7692082.290.09NANA

Factors:

F1Concentration:0.5x | FMT:Post | Sample type:Fecal matter
F2Concentration:0.5x | FMT:Pre | Sample type:Fecal matter
F3Concentration:2x | FMT:Post | Sample type:Fecal matter
F4Concentration:2x | FMT:Pre | Sample type:Fecal matter
Data matrix
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