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. 2009 Aug 6;14(8):2909–2917. doi: 10.3390/molecules14082909

Table 1.

Percentage composition of C. rotundus essential oils from two different locations.

Compounds RIa Sample A Sample B Method of Identification
α-pinene 936 3.0 10.8 MS, RI
camphene 951 t 1.5 MS, RI
β-pinene 979 5.3 11.3 MS, RI
myrcene 990 0.5 - MS, RI
α-phellandrene 1002 t - MS, RI
bicyclo [3.2.0] hept-6-ene * 1014 - 0.3 RI
p-cymene 1026 1.7 0.6 MS, RI
limonene 1030 2.0 5.7 MS, RI
1,8-cineole 1033 t - MS, RI
terpinolene 1082 0.6 - MS, RI
perillene 1096 - 0.3 MS, RI
3,3,5-trimethyl cyclohexene 1118 - 0.2 RI
fenchol 1121 - 0.2 MS, RI
trans-pinocarveol 1142 4.0 4.0 MS, RI
camphene hydrate 1147 - 0.4 MS, RI
pinocarvone 1158 2.2 0.4 MS, RI
p-mentha-1, 5-diene-8-ol 1161 0.4 - MS, RI
borneol 1167 - 0.3 MS, RI
terpinen-4-ol 1178 0.9 1.0 MS, RI
myrtenol 1201 7.9 7.1 MS, RI
verbenone 1209 0.6 1.1 MS, RI
trans-carveol 1226 t 0.4 MS, RI
cuminaldehyde 1251 t 0.1 MS, RI
carvone 1257 - 0.2 MS, RI
α-copaene 1379 - 0.5 MS, RI
β-elemene 1383 0.8 0.5 MS, RI
cyperene 1397 1.6 2.6 MS, RI
β-caryophyllene 1426 0.8 0.6 MS, RI
α-gurjunene 1431 - 0.3 MS, RI
α-humulene 1452 0.4 0.2 MS, RI
allo-aromadendrene 1468 1.2 0.8 MS, RI
eudesma-2,4,11-triene 1476 2.1 - MS, RI
β-selinene 1484 5.1 4.6 MS, RI
α-selinene 1491 2.7 6.6 MS, RI
germacrene B 1546 - 2.1 MS, RI
spathulenol 1572 0.3 - MS, RI
caryophyllene oxide 1584 5.4 2.6 MS, RI
(2R,5E)-caryophyll-5-en-12-al 1593 1.0 - MS, RI
humulene epoxide II 1601 2.7 1.6 MS, RI
oplopenone 1608 3.4 - RI
globulol 1623 - 0.9 MS, RI
patchenol ** 1628 3.9 0.9 RI
2-cyclopropylthiophene 1631 - 2.5 RI
caryophylla-3,8(13)-dien-5-β-ol 1641 4.2 2.4 RI
vulgarol B 1642 3.8 1.8 RI
caryophylla-3,8(13)-dien-5-α-ol 1649 2.1 - RI
caryophyllenol 11 1661 4.8 0.9 RI
aromadendrene epoxide 1743 - 2.7 RI
aristolone 1752 2.5 1.6 MS, RI
α-cyperone 1771 11.0 7.9 MS, RI
oxo-α-ylangene 1779 - 1.9 MS, RI
M+ 218 (C15H22O) ** 1783 1.4 - RI
M+ 218 (C15H22O) ** 1796 1.7 1.1 RI
solavetivone 1816 t - MS, RI
nootkatone 1820 - 0.2 MS, RI
hexadecanoic acid 1942 t - MS, RI
phytol 2096 t - MS, RI
Monoterpene hydrocarbons 13.1 30.4
Oxygenated monoterpenes 16.0 15.5
Sesquiterpene hydrocarbons 14.7 18.2
Oxygenated sesquiterpenes 45.1 27.9
Total identified 88.9 92.0
unidentified 3.1 1.1

RIa = Retention Indices relative to C9-C24 n-alkanes on the DB-5 column; t = trace amount (≤0.05%); Empangeni = Sample A; KwaDlangezwa = Sample B; * Correct isomer not identified; ** An alcohol of methanoazulene; *** tentatively identified: RIa = 1783: [M+.] 218(100), 41(98), 91(93), 55(70), 79(69), 105(68), 67(63), 203(60); RIa = 1796: [M+.] 95(100), 69(52), 179(50), 41(42), 133(38), 79(28), 107(25), 218(22).