Clustering data with hclust algorithm for (Study ST000883)

(Analysis AN001440)
MetaboliteStructureF1F2
Propanoic acid (45@5.72)ME2275550.002.06
2-Pentanone, 4-hydroxy-4-methyl- (43@7.72)ME2275750.002.06
Propane, 2-bromo-1-chloro- (77@1.36)ME2274990.002.06
1-Propanol, 2,2-dimethyl- (57@14.81)ME2276150.261.78
2,5-Octadiyne, 4,4-diethyl- (41@16.02)ME2276180.311.73
2-Propanol, 2-methyl- (59@1.63)ME2275130.301.74
Butane, 2,2-dimethyl- (41@16.35)ME2276210.301.74
Formic acid, 3-methylbut-2-yl ester (45@5.55)ME2275520.221.83
Borane-methyl sulfide complex (47@1.54)ME2275070.181.86
Nonadecane (57@39.61)ME2276400.161.88
Sulfurous acid, 2-ethylhexyl isohexyl ester (57@39.45)ME2276390.171.88
1-Propanol, 2,2-dimethyl- (57@13.09)ME2276040.151.90
4-Heptyn-2-ol (45@1.58)ME2275090.131.92
Ethanol, 2-nitro-, propionate (ester) (45@5.26)ME2275490.131.92
Acetic acid, methyl ester (43@1.54)ME2275080.591.44
5-Methyl-1,5-hexadien-3-ol (57@11.06)ME2275870.621.40
Pentane, 2,2,3,4-tetramethyl- (43@13.65)ME2276080.611.41
1-Methoxy-5-trifluoroacetoxyhexane (45@1.85)ME2275170.601.42
Butane, 2,2-dimethyl- (41@15.87)ME2276170.601.42
3-carene(41@10.91)ME2275860.721.30
Decane, 2,5,9-trimethyl- (57@38.35)ME2276380.701.31
Hexane, 2,3,4-trimethyl- (43@6.28)ME2275610.651.38
Pentane, 2,2,3,4-tetramethyl- (43@14.57)ME2276140.661.36
Octane, 2,3,6,7-tetramethyl- (43@12.34)ME2275950.671.35
Pentane, 2,2,3,4-tetramethyl- (43@20.67)ME2276290.671.35
Butane (43@3.26)ME2275280.431.60
Pentane, 3-methyl- (57@12.96)ME2276030.511.52
Pentane, 2,2,3,4-tetramethyl- (57@13.44)ME2276060.491.54
3-Cyclohexylpropionamide (55@1.75)ME2275140.501.53
Butane, 2,2-dimethyl- (43@9.55)ME2275790.501.53
p-Xylene (43@6.51)ME2275650.531.49
1,3-Dioxolane-2-methanol (73@19.66)ME2276270.551.47
3-Hexene-2,5-diol (44@4.52)ME2275410.551.48
Formamide (45@1.41)ME2275010.821.19
3,4-Hexanedione, 2,2,5-trimethyl- (43@26.54)ME2276360.811.20
Pentane, 2,2,3,4-tetramethyl- (57@12.47)ME2275960.811.20
Benzene, 1,4-dichloro- (146@11.17)ME2275880.801.21
Decane, 2,5,9-trimethyl- (57@11.96)ME2275930.791.22
Pentane, 2,2,3,4-tetramethyl- (43@13.61)ME2276070.791.22
Nonane, 1-iodo- (43@25.37)ME2276350.751.26
1,3-Cyclopentadiene, 5-(1-methylethylidene)- (43@6.46)ME2275640.741.27
Undecane, 4-methyl(43@14.52)ME2276130.751.27
Hexane, 2,2,3-trimethyl- (57@12.88)ME2276010.761.25
?-Pinene(93@8.46)ME2275760.781.23
DL-3-Methyl-2-butanol, pentafluoropropionate (43@15.61)ME2276160.771.24
Propane, 2-methoxy-2-methyl- (73@5.6)ME2275530.781.24
Hexane, 2,3,4-trimethyl- (43@12.6)ME2275980.921.08
Methyl methacrylate (41@2.77)ME2275260.921.08
2-Propanamine, 2-methyl- (58@1.48)ME2275040.911.09
Hexane, 2,3,4-trimethyl- (43@19.49)ME2276260.921.09
Pentane, 2,2,3,4-tetramethyl- (57@20.69)ME2276300.901.11
Propane, 2-methyl-1-nitro- (57@10.16)ME2275820.911.10
Pentane, 2,2,3-trimethyl- (57@9.39)ME2275770.881.12
Propanoic acid, 2,2-dimethyl- (57@7.71)ME2275740.871.14
Pentane, 2,2,3,4-tetramethyl- (57@9.82)ME2275800.871.14
Decane, 3,7-dimethyl(57@11.83)ME2275920.871.14
Acetophenone (105@10.48)ME2275830.871.14
2,4,6-Trimethyl-1-nonene (43@6.05)ME2275570.871.14
1-Nonen-4-ol (43@3)ME2275270.871.14
2,3-Epoxyhexanol (73@17.42)ME2276240.871.14
Acetone (43@1.47)ME2275030.851.16
Heptane, 2,2,4,6,6-pentamethyl- (57@11.51)ME2275890.851.16
Methane, dichloronitro- (83@1.95)ME2275190.851.15
Octane, 2,3,6,7-tetramethyl- (43@13.82)ME2276090.851.15
Pentane, 2,2,3,4-tetramethyl- (57@13.34)ME2276050.831.18
1,3-Dioxolane, 2-ethyl-4-methyl- (87@4.18)ME2275360.841.17
Acetic acid, 2-phenylethyl ester (91@7.11)ME2275680.841.17
Oxalic acid, allyl nonyl ester (43@12.78)ME2276001.020.98
Hexane, 2,2,3-trimethyl- (57@12.53)ME2275971.020.98
Acetophenone (105@12.9)ME2276021.020.98
1-Hexanol, 2-ethyl- (57@11.75)ME2275911.020.98
Acetic acid (45@4.1)ME2275351.020.98
Nonanal(41@14.25)ME2276121.040.96
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- (68@11.69)ME2275901.030.96
Glutaraldehyde (44@1.79)ME2275161.030.97
Benzene, 1,2-bis(hexyloxy)-4-nitro- (43@1.78)ME2275151.030.97
Acetophenone (77@9.42)ME2275781.030.97
2-Hexanol, 3,4-dimethyl- (43@12.17)ME2275941.030.97
3-Ethyl-3-methylheptane (43@14.01)ME2276101.030.97
2-Butanone, 3-methyl- (43@2.48)ME2275240.941.06
Pentane, 2,2,3,4-tetramethyl- (43@23.07)ME2276340.941.07
Octane, 3,5-dimethyl- (43@14.08)ME2276110.961.04
(S)-(+)-3-Methyl-1-pentanol (57@12.65)ME2275990.951.05
3,4-Hexanedione, 2,2,5-trimethyl- (43@21.12)ME2276320.951.05
Hexane, 2,3,4-trimethyl- (43@20.85)ME2276310.951.05
Pentane, 3,3-dimethyl- (43@21.36)ME2276331.001.00
Hydroxylamine, O-(2-methylpropyl)- (41@2.62)ME2275251.001.00
Octane, 3,5-dimethyl- (43@17.27)ME2276231.001.00
4-Ethylbenzamide (133@4.34)ME2275381.001.01
Benzene, fluoro-(96@2.35)ME2276420.991.01
Isopropyl Alcohol (45@1.46)ME2275020.981.03
Toluene-D8(98@3.66)ME2276440.971.03
Propanoic acid, 2-hydroxy-, pentyl ester (41@16.03)ME2276190.971.03
1,3,5-Cycloheptatriene (91@3.75)ME2275310.971.03
1,3-Hexadien-5-yne (78@2.22)ME2275210.971.03
Naphthalene (128@16.68)ME2276220.991.02
Ethylbenzene (91@6.16)ME2275590.981.02
Carbamic acid, methyl-, phenyl ester (94@10.1)ME2275810.981.02
1,4-Dichlorobenzene-D4(150@11.67)ME2276410.981.02
Benzene, 1-bromo-3-fluoro-(95@8.24)ME2276430.981.02
Formamide, N,N-dimethyl- (44@36.18)ME2276371.070.93
Hexane, 2,3,4-trimethyl- (43@5.06)ME2275471.050.94
O-Butylisourea (41@2.26)ME2275221.060.94
Tridecane(43@20.26)ME2276281.060.94
2,4,6-Trimethyl-1-nonene (43@10.8)ME2275851.080.92
p-Xylene (91@6.43)ME2275631.080.92
Cyclobutanol (44@1.33)ME2274981.080.91
Ethylene oxide (44@3.87)ME2275331.080.91
Cyclohexanone (55@7.26)ME2275701.100.89
2-Propanol, 1,3-dichloro- (79@1.61)ME2275121.100.90
Pentanoic acid, 4-methyl- (45@4.46)ME2275391.100.90
Cyclobutane-1,1-dicarboxamide, N,N^-di-benzoyloxy- (105@16.15)ME2276201.090.90
Hexane, 2,3,4-trimethyl- (43@6.27)ME2275601.090.90
4,4^-Diisothiocyanatostilbene-2,2^-disulfonic acid (76@1.59)ME2275101.180.80
5-Hexen-1-ol (41@2.46)ME2275231.180.81
Acetic acid (45@4.24)ME2275371.160.83
Difluorophosphoric acid (43@1.9)ME2275181.150.84
Ethanol, 2-nitro-, propionate (ester) (44@4.88)ME2275451.130.86
Heptanal (41@7.53)ME2275731.140.85
Acetic acid (46@3.85)ME2275321.880.07
Methanesulfonyl chloride (79@1.61)ME2275111.940.00
L-Cysteine sulfinic acid (64@3.38)ME2275291.940.00
Ethanol, 2-nitro-, propionate (ester) (45@6.06)ME2275581.940.00
Hexane, 2,3,4-trimethyl- (43@5.07)ME2275481.940.00
2-Hexanol, 3,4-dimethyl- (43@4.92)ME2275461.350.63
Cyclohexanone (43@7.34)ME2275711.320.66
Argon (40@6.4)ME2275621.330.65
Hexane, 2,3-dimethyl- (44@10.68)ME2275841.330.65
3,6-Dimethoxy-1,6-dimethyl-1,4-cyclohexadiene (153@3.57)ME2275301.280.71
3-Hexen-2-one (83@4.49)ME2275401.280.70
Z-2-Dodecenol (41@17.45)ME2276251.280.70
Di(n-hexyl)sulfone (42@1.99)ME2275201.210.77
Hexanal (44@4.58)ME2275421.240.75
Isoprene(67@1.5)ME2275051.240.75
Acetic acid, 2-phenylethyl ester (43@7.11)ME2275691.680.28
Pentanoic acid (73@5.63)ME2275541.680.28
Propane, 1-chloro-2-methyl- (77@1.37)ME2275001.540.42
Butanoic acid (43@5.79)ME2275561.580.38
N-Methyltaurine (44@4.03)ME2275341.590.38
Sulfur dioxide (64@1.53)ME2275061.410.57
4-Pyridazinamine (39@5.39)ME2275501.430.54
Hexanal, 3-methyl- (41@7.51)ME2275721.430.54
Propanedioic acid, propyl- (45@4.74)ME2275431.480.49
(S)-(+)-1,2-Propanediol (45@6.99)ME2275671.480.49
Heptane, 2,3-dimethyl- (43@4.88)ME2275441.500.47
Propanamide, 2-hydroxy- (45@5.4)ME2275511.510.46
Propanedioic acid, propyl- (45@6.65)ME2275661.510.46

Factors:

F1Malaria Infection Status:Negative
F2Malaria Infection Status:Positive
Data matrix
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