Clustering data with hclust algorithm for (Study ST003333)

Reversed phase NEGATIVE ION MODE (Analysis AN005461)
MetaboliteStructureF1F2F3
2-(2-Carboxyethyl)-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl hexopyranosiduronic acidME8737210.781.071.01
(1aR,5aS,7aS,8aS,9aS,9dS)-5a,7a-Dimethyl-5^-oxoicosahydro-3^H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2^-furan]-3-sulfonic acidME8734931.010.881.11
16alpha-hydroxydehydroepiandrosterone 3-sulfateME8735141.161.090.85
2-Amino-5-[4-(carboxymethoxy)-5,7-dinitro-2,3-dihydro-1H-indol-1-yl]-5-oxopentanoic acidME8737510.661.290.84
(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucosideME8737160.940.931.09
2-(2-Carboxyethyl)-5-hydroxyphenyl hexopyranosiduronic acidME8735150.740.761.34
2-Acetyl-5-hydroxyphenyl hydrogen sulfateME8735121.071.040.93
2-(4-Hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl (2xi)-5-ethyl-beta-D-threo-pentopyranosideME8735620.751.041.05
1-{4-Amino-5-(4-methylphenyl)-7-[3-(2-propyn-1-ylamino)propyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-fluoroethanoneME8736251.560.791.00
2-(Benzyloxy)-3,4,5,6-tetrafluorobenzoic acidME8737370.891.080.96
1-MethylxanthineME8735090.430.881.33
(1S,4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-10-yl alpha-L-gulopyranosiduronic acidME8735650.960.891.13
(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,19S,21R)-6-(3-Furyl)-4,12,16,19-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0~1,14~.0~2,11~.0~5,10~.0~8,10~]henicos-21-yl acetateME8737550.871.110.94
2-(3-Methyl-4-morpholinyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-oneME8735551.260.511.39
(25S)-11alpha,20,26-trihydroxyecdysoneME8735770.751.380.72
12-hydroxyjasmonic acidME8735970.691.170.94
(1S,5R)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl beta-D-glucopyranosideME8736820.911.001.03
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-6-yl hexopyranosideME8735030.720.391.71
2-(2-Carboxyethyl)-5-(4-hydroxypentyl)-4-methyl-3-furoic acidME8736870.881.220.83
1-(3-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acidME8737480.921.050.98
1-Caffeoyl-beta-D-glucoseME8736920.810.891.18
10-Undecenoic acidME8736740.561.071.09
10-Butyryl-5-hydroxy-8,8-dimethyl-2-oxo-4-propyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl hydrogen sulfateME8736200.740.891.21
12-O-β-D-Glucopyranosyloxyjasmonic acidME8735720.871.250.80

Factors:

F1Sample source:Solvent Mixture | Altitude:QC
F2Sample source:Urine | Altitude:Base Line
F3Sample source:Urine | Altitude:High Altitude
Data matrix
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