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. 2026 Sep 5;16:27824. doi: 10.1038/s41598-026-68059-8

Table 8.

Volatile metabolites identified from the n-hexane extracts of the four Solanaceous plants (Capsicum, Tobacco, Datura and Withania).

No. Component R t
(min.)
RI* % Composition Method of Identification Molecular
Formula
Cal. Rep. Cap. To. Dat. Wt.
1 1,2,4-trimethyl-Cyclopentane 3.083 763 777 - - - 1.40 RI/MS C8H16
2 (1α,2α,3β)−1,2,3-trimethyl- Cyclopentane 3.181 767 - - - - 1.08 RI/MS C8H16
3 4-methyl-Heptane 3.386 775 770 - - - 0.91 RI/MS C8H18
4 2-methyl-Heptane 3.478 778 778 - - - 5.65 RI/MS C8H18
5 3-methyl-Heptane 3.605 783 783 - - - 2.44 RI/MS C8H16
6 cis−1,3-dimethyl-Cyclohexane 3.646 785 778 - - - 6.55 RI/MS C8H16
7 1,4-dimethyl-Cyclohexane 3.675 786 782 - - - 2.68 RI/MS C8H16
8 3-Hexanol 3.740 788 784 - - - 0.49 RI/MS C6H14O
9 1,1-dimethyl-Cyclohexane 3.770 789 783 - - - 0.51 RI/MS C8H16
10 4-methyl-2-Pentanol 3.822 791 790 - - - 0.80 RI/MS C6H14O
11 cis−1-ethyl-2-methyl-Cyclopentane 3.891 794 790 - - - 0.61 RI/MS C8H16
12 trans−1,3-dimethyl-Cyclohexane 3.993 798 798 - - - 1.30 RI/MS C8H16
13 Octane 4.107 802 800 - - - 16.91 RI/MS C8H16
14 hexyl-Cyclopentane 4.270 809 - - - - 0.04 RI/MS C11H22
15 cis−1,2-dimethyl-Cyclohexane 4.611 822 826 - - - 0.54 RI/MS C8H16
16 ethyl-Cyclohexane 4.729 826 827 - - - 1.60 RI/MS C8H16
17 Cyclogeraniolane 4.855 831 839 - - - 0.33 RI/MS C9H18
18 2,5-dimethyl-Heptane 4.907 833 833 - - - 0.29 RI/MS C9H20
19 Ethylbenzene 5.155 843 843 - - - 0.54 RI/MS C8H10
20 1,3,5-trimethyl-Cyclohexane 5.216 845 - - - - 0.20 RI/MS C9H18
21 octahydro-Pentalene 5.482 855 861 - - - 0.14 RI/MS C8H14
22 3-methyl-Octane 5.817 868 852 - - - 0.28 RI/MS C9H20
23 1-Ethyl-4-methylcyclohexane 6.129 881 883 - - - 0.19 RI/MS C9H18
24 Cyclohexane propanol 6.346 919 - 1.22 - - - RI/MS C9H18O
25 2,2,3,3-tetramethyl-Pentane 6.515 925 - 1.00 - - - RI/MS C9H20
26 Nonane 6.596 898 900 - - - 0.59 RI/MS C13H28
27 propyl-Cyclohexane 6.647 929 926 2.47 - - - RI/MS C9H18
28 (E)−6-methyl-3-Undecene 6.981 940 - 1.11 - - - RI/MS C12H24
29 (R)-(-)-(Z)−14-Methyl-8-hexadecen-1-ol 7.119 944 - 0.29 - - - RI/MS C17H34O
30 trans−2-ethyl-1,1’-bi-cyclohexyl 7.245 948 - 0.18 - - - RI/MS C14H26
31 1,1,2,3-tetramethyl-Cyclohexane 7.391 953 - 2.66 - - - RI/MS C10H20
32 1R-α-Pinene 7.415 925 929 - - - 0.03 RI/MS C10H16
33 Mesitylene 7.848 967 962 1.87 - - - RI/MS C9H12
34 3-methyl-Nonane 7.899 969 962 4.63 - - - RI/MS C10H22
35 4-phenyl-Valeric acid 8.190 978 - 0.43 - - - RI/MS C11H14O2
36 trans−1-methyl-4-(1-methylethyl)-Cyclohexane 8.245 980 976 1.12 - - - RI/MS C10H20
37 1-methyl-3-propyl-Cyclohexane 8.325 983 - 1.24 - - - RI/MS C10H20
38 Hemimellitene 8.617 992 999 3.33 - - - RI/MS C9H12
39 di-Hydrocapsaicin 8.806 998 - 14.31 - - - RI/MS C18H29NO3
40 β-Myrcene 9.111 979 975 - - - 0.10 RI/MS C10H16
41 Hydratropic acid, oct-3-en-2-yl ester 9.140 1009 - 0.24 - - - RI/MS C17H24O2
42 5-ethyl-2-methyl-Heptane 9.512 1021 - 3.26 - - - RI/MS C10H22
43 butyl-Cyclohexane 9.771 1029 1026 1.03 - - - RI/MS C10H20
44 3,7-dimethyl-Nonane 10.016 1037 1042 0.45 - - - RI/MS C11H24
45 β-Phellandrene 10.178 1013 1013 - - - 0.33 RI/MS C10H16
46 D-Limonene 10.241 1015 1018 - - - 0.77 RI/MS C10H16
47 (Z)-Dec-4-en-1-yl propyl carbonate 10.470 1051 - 1.70 - - - RI/MS C14H26O3
48 2,5-dimethyl-Nonane 10.611 1056 1059 1.52 - - - RI/MS C11H24
49 1-ethyl-3,5-dimethyl-Benzene 10.660 1058 1058 0.59 - - - RI/MS C10H14
50 4-methyl-Decane 10.712 1059 1051 0.93 - - - RI/MS C11H24
51 2-methyl-Decane 10.821 1063 1053 1.87 - - - RI/MS C11H24
52 3-methyl-Decane 11.025 1069 1069 0.85 - - - RI/MS C11H24
53 4-ethyl-1,2-dimethyl-Benzene 11.250 1076 1075 0.60 - - - RI/MS C10H14
54 1-isopropyl-1-methyl-Cyclohexane 11.423 1082 - 0.80 - - - RI/MS C10H20
55 p-Cymene 11.521 1085 - 0.91 - - 0.09 RI/MS C10H14
56 4,6-dimethyl-Dodecane 11.568 1057 - - - - 0.11 RI/MS C14H30
57 Capsaicin 11.950 1099 - 15.46 - - - RI/MS C18H27NO3
58 1,3-diethyl-5-methyl-Benzene 12.091 1103 - 0.66 - - - RI/MS C11H16
59 trans−2-methyl-Decalin 12.217 1124 1138 0.94 - - - RI/MS C11H20
60 (1α,2β,4α.)−1,4-dimethyl-2-(2-methylpropyl)-, Cyclohexane 12.342 1081 - - - - 0.50 RI/MS C12H24
61 trans-Verbenyl isovalerate 12.468 1116 - 1.02 - - - RI/MS C15H24O2
62 1,2,3,4-tetramethyl-Benzene 12.590 1119 - 0.38 - - - RI/MS C10H14
63 3,7-dimethyl-Decane 12.794 1126 1127 0.44 - - - RI/MS C12H26
64 trans−1-ethyl-1,3-dimethyl-Cyclohexane 12.802 1095 - - - - 0.18 RI/MS C10H20
65 1,3-dimethyl-Adamantane 12.938 1099 - - - - 15.04 RI/MS C12H20
66 pentyl-Cyclohexane 13.002 1133 1134 0.86 - - - RI/MS C11H22
67 1-methyl-3-propyl-Cyclooctane 13.255 1109 - - - - 0.09 RI/MS C12H24
68 1,3,5-trimethyl-Adamantane 13.355 1113 - - - - 0.38 RI/MS C13H22
69 1,1’-bi-Cyclooctyl 13.465 1116 - - - - 0.09 RI/MS C16H30
70 2,4-diethyl-1-methyl-Cyclohexane 13.521 1118 - - - - 0.14 RI/MS C11H22
71 1,2,3,5-tetramethyl-Benzene 13.600 1152 1151 0.30 - - - RI/MS C10H14
72 Sulfurous acid, decyl 2-ethylhexyl ester 13.678 1154 - 0.83 - - - RI/MS C18H38O3S
73 10-Methyl-Z−11-tridecen-1-ol acetate 13.720 1124 - - - - 0.20 RI/MS C16H30O2
74 5-(1-methylpropyl)-Nonane 13.801 1158 - 0.36 - - - RI/MS C13H28
75 Hexadecane 13.933 1163 - 1.73 - - - RI/MS C16H34
76 1,1-bis-(dodecyloxy)-Hexadecane 13.956 1132 - - - 0.30 RI/MS -
77 (1α,2α,4α,5α)−1,2,4,5-tetraethyl-Cyclohexane 14.090 1136 - - - - 0.08 RI/MS C14H28
78 3-methyl-Undecane 14.138 1169 1169 0.68 - - - RI/MS C12H26
79 1-methyl-4-(1-methylbutyl)-Cyclohexane 14.233 1141 - - - - 0.21 RI/MS C12H24
80 cis,cis,cis−1-Isobutyl-2,5-dimethylcyclohexane 14.361 1145 1137 - - - 0.19 RI/MS C12H24
81 decahydro−2,6-dimethyl-Naphthalene 14.648 1154 - - - - 5.01 RI/MS C12H22
82 decahydro−2,3-dimethyl-Naphthalene 15.000 1165 - - - - 0.72 RI/MS C12H22
83 1-ethyl-Cyclohexene 15.038 1167 - - - - 0.44 RI/MS C8H14
84 Dodecane 15.039 1198 - 8.27 - - - RI/MS C14H30
85 6-methyl-Tridecane 15.454 1212 - 1.04 - - - RI/MS C14H30
86 decahydro−1,5-dimethyl-Naphthalene 15.546 1183 - - - - 1.10 RI/MS C12H22
87 1-(2-methyl-2-cyclopenten-1-yl)-Cyclohexene 15.883 1194 - - - - 1.04 RI/MS C12H18
88 Tritetracontane 16.931 1264 - 4.18 - - 0.20 RI/MS -
89 Tridecane 17.986 1301 1300 0.78 - - - RI/MS C14H30
90 Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester 18.226 1309 - - - 1.49 - RI/MS C12H20O3
91 (S)−3-(1-methyl-2-pyrrolidinyl)-Pyridine 19.411 1351 1341 - 85.96 4.00 - RI/MS C10H14N2
92 (1 S,3R,5 S,6R)-(-)−5-Caranol 21.628 1432 - - - 1.04 - RI/MS C10H18O
93 Sulfurous acid, hexyl octyl ester 23.259 1496 - 0.29 - - - RI/MS C14H30O3S
94 trans-p-Menth-8-ene-1,2-diol 23.485 1505 - - - 2.22 - RI/MS C10H18O2
95 2,4-bis-(1,1-dimethylethyl)-Phenol 23.810 1518 - 0.35 - - - RI/MS C14H22O
96 Heneicosane 24.284 1495 - - - - 1.13 RI/MS C21H44
97 Tetradecanoic acid 29.699 1766 1769 - - 1.95 - RI/MS C14H28O2
98 Hexadecanoic acid, methyl ester 33.120 1927 1927 - 1.21 4.11 - RI/MS C17H34O2
99 Eicosanoic acid 33.888 1965 - 2.21 - - - RI/MS C20H40O2
100 n-Hexadecanoic acid 33.924 1966 1968 - 6.77 53.81 - RI/MS C16H32O2
101 9,12-Octadecadienoic acid, methyl ester 36.463 2097 2094 - 0.37 - - RI/MS  C19H34O2
102 (E)−9-Octadecenoic acid, methyl ester 36.568 2103 2085 - - 3.26 - RI/MS C19H36O2
103 Cyclopropaneoctanoic acid, 2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]-, methyl ester 36.585 2104 - - 0.62 - - RI/MS C22H38O2
104 Methyl stearate 37.051 2128 2128 - 0.19 1.50 - RI/MS C19H38O2
105 Oleic acid 37.317 2142 2141 0.63 1.91 20.29 - RI/MS C18H34O2
106 9-Hexadecenoic acid 37.428 2148 - - 1.09 - - RI/MS C16H30O2
107 Octadecanoic acid (stearic acid) 37.751 2165 2167 - 0.82 4.25 - RI/MS C18H36O2
108 4-methylene-1-methyl-2-(2-methyl-1-propen-1-yl)−1-vinyl-Cycloheptane 37.965 2177 - - 0.26 - - RI/MS C15H24
109 Scopolamine 41.502 2378 - - - 0.44 - RI/MS C17H21NO4
110 Vitamin E 52.796 3149 3149 0.54 - - - RI/MS C29H50O2

% Identification

No. of compounds

92.56

(48)

99.20

(10)

98.36

(12)

74.54

(49)

Rt: retention time, RI: retention index, Dat.: Datura stramonium, Cap.: Capsicum annuum, To.: Nicotiana tabacum, Wt.: Withania somnifera. The percentage values reported in each plant column represent independent GC–MS analyses of the corresponding extract. A dash (–) indicates that the compound was not detected in that particular extract. * (RI): Retention Index.