Table 1.
No | KI† | Compound | Relative Abundance % | |||
---|---|---|---|---|---|---|
Cal. | Rep. | S. officinalis | S. virgata | S. sclarea | ||
1 | 1067 | 1067 | Camphene | 1.9 | 2.6 | - |
2 | 1130 | 1133 | β-Thujene | 0.9 | - | - |
3 | 1134 | 1137 | β-Pinene | 0.4 | - | - |
4 | 1148 | 1149 | δ-3-Carene | - | 0.6 | - |
5 | 1180 | 1184 | β-Myrcene | 0.9 | 1.2 | 0.8 |
6 | 1193 | 1195 | α-Terpinene | - | 3.0 | - |
7 | 1201 | 1203 | Limonene | 0.5 | 6.2 | 0.4 |
8 | 1207 | 1208 | 1,8-Cineole | 8.9 | - | 1.2 |
9 | 1215 | 1216 | (E)-2-Hexenal | 0.2 | 1.6 | 0.4 |
10 | 1230 | 1232 | γ-Terpinene | 0.6 | 5.2 | 0.3 |
11 | 1238 | 1240 | β-trans-Ocimene | - | - | 0.5 |
12 | 1267 | 1268 | p-Cymene | 0.5 | 4.5 | 0.2 |
13 | 1274 | 1276 | α-Terpinolene | 0.3 | 3.0 | tr |
14 | 1296 | 1298 | 1-Octen-3-one | tr | - | - |
15 | 1304 | 1305 | 2,4-Nonadienal | - | 3.3 | - |
16 | 1340 | 1342 | 6-Methyl-5-heptene-2-one | - | 0.2 | - |
17 | 1357 | 1359 | 1-Hexanol | - | 0.2 | - |
18 | 1370 | 1372 | allo-Ocimene | - | - | 0.2 |
19 | 1390 | 1390 | Nonanal | - | - | 0.2 |
20 | 1391 | 1391 | (Z)-Hex-3-en-1-ol | 0.4 | - | - |
21 | 1394 | 1395 | 2,4-Hexadienal | - | 9.4 | - |
22 | 1413 | 1414 | Butyl hexanoate | - | tr | 0.7 |
23 | 1427 | 1427 | trans-2-Octenal | - | tr | - |
24 | 1431 | 1435 | cis-Thujone | 18.6 | 0.9 | 0.7 |
25 | 1445 | 1445 | cis-Linalool oxide | - | - | 1.3 |
26 | 1447 | 1448 | trans-Thujone | 3.3 | 0.2 | tr |
27 | 1452 | 1453 | 1-Octen-3-ol | 0.0 | - | - |
28 | 1455 | 1456 | 1-Heptanol | 0.2 | - | 0.3 |
29 | 1464 | 1466 | trans-Linalool oxide | 0.4 | 0.2 | 1.1 |
30 | 1470 | 1470 | Fenchyl acetate | - | tr | - |
31 | 1484 | 1485 | α-Campholenal | - | 1.1 | 1.0 |
32 | 1493 | 1493 | α-Copaene | - | 0.8 | 1.3 |
33 | 1498 | 1498 | n-Decanal | tr | 0.3 | 0.2 |
34 | 1506 | 1505 | Camphor | 12.2 | - | 0.4 |
35 | 1521 | 1520 | Benzaldehyde | - | 0.4 | 0.7 |
36 | 1532 | 1532 | (Z)-2-Nonenal | - | 0.2 | - |
37 | 1553 | 1554 | Linalool | 0.4 | 0.2 | - |
38 | 1562 | 1564 | Linalyl acetate | 0.0 | 0.2 | 4.7 |
39 | 1565 | 1566 | trans-Pinocamphone | tr | tr | 0.3 |
40 | 1568 | 1569 | (E,E)-3,5-Octadien-2-one | - | 0.2 | - |
41 | 1573 | 1574 | Iso pulegone | 0.9 | tr | 0.2 |
42 | 1574 | 1574 | Pinocarvone | 0.2 | 0.2 | - |
43 | 1579 | 1579 | Bornyl acetate | 0.0 | 0.2 | 0.2 |
44 | 1581 | 1582 | 6-Methyl-3,5-heptadien-2-one | - | tr | 0.3 |
45 | 1588 | 1589 | trans-β-Caryophyllene | 3.2 | - | 0.9 |
46 | 1599 | 1598 | Terpinen-4-ol | 0.9 | 1.3 | tr |
47 | 1608 | 1608 | Aromadendrene | - | 0.3 | tr |
48 | 1617 | 1619 | Butyl octanoate | tr | - | 0.9 |
49 | 1623 | 1624 | β-Cyclocitral | tr | - | tr |
50 | 1629 | 1628 | 1-Terpineol | tr | tr | 0.2 |
51 | 1643 | 1644 | Pulegone | - | 0.5 | 0.2 |
52 | 1649 | 1650 | Alloaromadendrene | 1.0 | 0.2 | 0.3 |
53 | 1655 | 1658 | Sabinyl acetate | 0.3 | - | tr |
54 | 1672 | 1670 | 4-Vinylanisole | - | 0.2 | 0.2 |
55 | 1677 | 1679 | β-Citral | 0.2 | 0.5 | tr |
56 | 1680 | 1681 | α-Humulene | 6.1 | 1.2 | 0.3 |
57 | 1684 | 1684 | δ-Terpineol | 0.2 | - | 0.5 |
58 | 1702 | 1703 | γ-Muurolene | 0.6 | 1.7 | - |
59 | 1711 | 1712 | α-Terpineol | 1.6 | 1.0 | 2.5 |
60 | 1714 | 1715 | Borneol | 4.0 | 0.3 | 0.2 |
61 | 1720 | 1722 | Dodecanal | - | tr | 0.2 |
62 | 1723 | 1725 | Butyl nonanoate | - | 1.0 | 0.3 |
63 | 1728 | 1729 | Piperitone | 0.5 | 1.7 | 0.2 |
64 | 1733 | 1733 | Neryl acetate | tr | - | 0.7 |
65 | 1742 | 1746 | Carvyl acetate | tr | 0.3 | tr |
66 | 1750 | 1750 | Epoxylinalool | tr | - | 0.2 |
67 | 1752 | 1752 | δ-Cadinene | tr | - | 1.4 |
68 | 1761 | 1763 | 1-Decanol | - | 3.2 | - |
69 | 1782 | 1783 | Cubenene | 0.7 | 0.3 | 0.3 |
70 | 1784 | 1785 | α-Cadinene | - | 0.9 | tr |
71 | 1792 | 1793 | Myrtenol | 0.6 | - | tr |
72 | 1796 | 1797 | 2,4-Decadienal | - | tr | - |
73 | 1803 | 1805 | 2-Tridecanone | - | tr | 0.8 |
74 | 1814 | 1815 | β-Damascenone | 0.4 | - | - |
75 | 1822 | 1824 | β-Damascone | - | 2.2 | 0.3 |
76 | 1844 | 1845 | trans-Calamenene | - | 0.9 | 0.3 |
77 | 1855 | 1856 | cis-Carveol | 0.6 | tr | - |
78 | 1857 | 1857 | trans-Carveol | tr | 0.4 | 0.3 |
79 | 1867 | 1868 | (Z)-Geranyl acetone | - | 0.2 | 2.0 |
80 | 1869 | 1870 | exo-2-Hydroxycineole | tr | tr | 0.2 |
81 | 1884 | 1885 | Benzyl alcohol | tr | 0.2 | 0.4 |
82 | 1887 | 1887 | (E)-2-Dodecenal | - | 0.5 | - |
83 | 1915 | 1916 | α-Calacorene | - | 0.8 | - |
84 | 1917 | 1918 | Piperitenone | tr | 0.8 | 1.5 |
85 | 1920 | 1921 | Tetradecanal | 0.2 | - | - |
86 | 1926 | 1927 | Phenylethyl alcohol | 0.1 | 0.7 | 0.6 |
87 | 1930 | 1931 | trans-β-Ionone | tr | 0.3 | 0.3 |
88 | 1937 | 1938 | cis-Jasmone | tr | 0.2 | - |
89 | 1945 | 1945 | 2,6-Dimethyl-3,7-octadiene-2,6-diol | tr | 0.2 | 0.3 |
90 | 1949 | 1951 | (2E)-Hexenoic acid | 0.4 | 0.2 | 0.6 |
91 | 1953 | 1955 | cis-Caryophyllene oxide | 0.2 | tr | 2.3 |
92 | 1954 | 1954 | 2-Ethyl-hexanoic acid | - | tr | 0.4 |
93 | 1966 | 1967 | β-Ionone epoxide | tr | 0.5 | 0.3 |
94 | 1992 | 1993 | trans-β-Ionone-5,6-epoxide | 0.6 | 0.2 | 2.1 |
95 | 2000 | 2000 | Eicosane | - | 0.6 | 0.8 |
96 | 2000 | 2203 | 2-Methoxy-4-vinylphenol | tr | 0.5 | 0.7 |
97 | 2001 | 2003 | Methyl eugenol | 0.5 | - | 0.3 |
98 | 2012 | 2014 | Methyl tetradecanoate | 0.2 | tr | - |
99 | 2022 | 2024 | Glubulol | tr | 0.4 | tr |
100 | 2030 | 2032 | Cinnamaldehyde | 1.2 | tr | 0.7 |
101 | 2034 | 2035 | Nerolidol | tr | 0.4 | 0.2 |
102 | 2041 | 2042 | Pentadecanal | 0.3 | 0.3 | 0.4 |
103 | 2051 | 2052 | Octanoic acid | 0.7 | 0.2 | 0.4 |
104 | 2080 | 2081 | Viridiflorol | 4.3 | 0.5 | 0.4 |
105 | 2095 | 2099 | β-Elemenone | tr | 0.9 | tr |
106 | 2121 | 2121 | Spatulenol | tr | 1.0 | 2.5 |
107 | 2130 | 2131 | Hexahydrofarnesyl acetone | tr | 0.5 | 0.4 |
108 | 2133 | 2135 | 2-Hydroxy-4-methoxy-benzaldehyde | - | 0.4 | 0.2 |
109 | 2178 | 2179 | γ-Eudesmol | - | 0.5 | 0.2 |
110 | 2185 | 2186 | Eugenol | tr | - | 1.1 |
111 | 2192 | 2192 | Nonanoic acid | 0.3 | 0.7 | 0.6 |
112 | 2197 | 2198 | Thymol | 0.6 | 0.3 | 0.4 |
113 | 2205 | 2206 | Carvacrol | 0.7 | 0.5 | 0.2 |
114 | 2210 | 2210 | Methyl hexadecanoate | - | 0.3 | 0.5 |
115 | 2213 | 2215 | β-Eudesmol | - | 1.2 | 1.3 |
116 | 2217 | 2219 | Ledene oxide-(I) | - | tr | 0.7 |
117 | 2220 | 2223 | Sclareoloxide | 1.3 | - | 1.5 |
118 | 2240 | 2241 | Ethyl hexadecanoate | 0.4 | 0.5 | 2.4 |
119 | 2262 | 2264 | n-Decanoic acid | tr | 0.3 | 0.7 |
120 | 2300 | 2300 | n-Tricosane | 0.5 | 0.6 | 0.4 |
121 | 2321 | 2324 | Dihydroactinolide | - | 0.6 | 0.4 |
122 | 2330 | 2331 | (6R)-(β)-Caryophyllene oxide | - | 0.4 | 0.6 |
123 | 2340 | 2343 | Octadecanal | 0.5 | - | 3.4 |
124 | 2378 | 2379 | 4-Vinylphenol | tr | 0.4 | 1.5 |
125 | 2389 | 2390 | Isoelemicin | 0.5 | - | 0.7 |
126 | 2394 | 2396 | Tetracosane | tr | - | 0.2 |
127 | 2416 | 2419 | Butyl hexadecanoate | - | - | 0.2 |
128 | 2450 | 2451 | Dodecanoic acid | - | 0.3 | 0.2 |
129 | 2465 | 2469 | Penatcosane | tr | tr | 0.3 |
130 | 2541 | 2545 | Vanillin | - | 0.9 | 0.3 |
131 | 2547 | 2550 | 9,12,15-Octadecatrienoic acid, methyl ester | - | tr | tr |
132 | 2595 | 2597 | n-Hexacosane | - | - | 0.3 |
133 | 2650 | 2650 | Benzyl benzoate | tr | - | tr |
134 | 2654 | 2655 | n-Butyl octadecanoate | 5.6 | 0.2 | 5.7 |
135 | 2700 | 2712 | n-Heptacosane | tr | 0.5 | 0.4 |
136 | 2819 | 2819 | Pentadecanoic acid | - | - | - |
137 | 2826 | 2828 | n-Octacosane | - | tr | - |
138 | 2896 | 2899 | n-Hexadecanoic acid | - | 1.7 | 0.4 |
139 | 3000 | 3000 | n-Triacontane | - | tr | 0.4 |
140 | 3102 | 3100 | n-Hentriacontane | - | tr | tr |
141 | 3103 | 3104 | Octadecanoic acid | - | tr | - |
142 | 3153 | 3157 | 9-Octadecenoic acid | - | 0.2 | 6.9 |
143 | 3165 | 3168 | 9,12-Octadecadienoic acid | - | 0.2 | tr |
144 | 3192 | 3193 | 9,12,15-Octadecatrienoic acid | - | 0.4 | tr |
Total % of identified compounds | 91.1 | 84.7 | 78.1 |
Compounds were identified based on the compounds’ mass spectral data and retention indices compared with those of the NIST Mass Spectral Library (December 2011), the Wiley Registry of Mass Spectral Data, 8th edition, and many authentic standards. The content (%) was calculated in triplicate using the normalization method based on the GC-MS data. The presented data are the average of three replicas, tr—trace concentration less than 0.1%. Standard deviation did not exceed 3% for all values. KI†: Kovats index calculated on VF-Wax CP 9205column.