Table 1.
No | Rt [a] | Compound Name | MF | KILit [b] | KIExp [c] | Relative Concentration % | |
---|---|---|---|---|---|---|---|
P. discodirdis | E. bonariensis | ||||||
Monoterpenes | 0.19% | 14.16% | |||||
1 | 4.13 | α-Pinene | C10H16 | 933 | 934 | 0.19 ± 0.01 | 0.18 ± 0.01 |
2 | 5.43 | α-Myrcene | C10H16 | 991 | 990 | ------ | 0.20 ± 0.01 |
3 | 6.41 | O-Ocimene | C10H16 | 1012 | 1012 | ------ | 12.58 ± 0.09 |
4 | 6.91 | D-Limonene | C10H16 | 1035 | 1036 | ------ | 1.20 ± 0.04 |
Sesquiterpenes | 93.4% | 81.06% | |||||
5 | 16.22 | β-Caryophyllene | C15H24 | 1418 | 1420 | 4.95 ± 0.07 | 2.17 ± 0.04 |
6 | 16.96 | Aromandendrene | C15H24 | 1439 | 1448 | ------ | 0.12 ± 0.03 |
7 | 17.17 | α-Guaiene | C15H24 | 1439 | 1439 | 0.21 ± 0.02 | 0.11 ± 0.02 |
8 | 17.39 | α-Maaliene | C15H24 | 1480 | 1479 | 18.84 ± 0.08 | 6.64 ± 0.09 |
9 | 17.60 | Berkheyaradulen | C15H24 | 1492 | 1493 | 13.99 ± 0.09 | 4.82 ± 0.06 |
10 | 18.36 | β-Muurolene | C15H24 | 1493 | 1493 | 8.09 ± 0.05 | 2.37 ± 0.04 |
11 | 18.57 | α-Muurolene | C15H24 | 1498 | 1499 | 2.20 ± 0.04 | 3.99 ± 0.07 |
12 | 18.98 | Bicyclogermacrene | C15H24 | 1500 | 1501 | ------ | 0.66 ± 0.01 |
13 | 19.67 | trans-α-Farnesene | C15H24 | 1508 | 1507 | ------ | 25.03 ± 0.13 |
14 | 19.73 | α-Bisabolene | C15H24 | 1509 | 1511 | 0.58 ± 0.03 | ------ |
15 | 19.84 | γ-Cadinene | C15H24 | 1514 | 1515 | 1.36 ± 0.04 | ------ |
16 | 20.35 | α-Sesquiphellandrene | C15H24 | 1516 | 1517 | 0.44 ± 0.01 | ------ |
17 | 20.45 | cis-Lanceol | C15H24O | 1525 | 1527 | 0.16 ± 0.02 | 0.09 ± 0.01 |
18 | 20.54 | Isolongifolene-5-ol | C15H24O | 1534 | 1535 | 0.19 ± 0.01 | 5.53 ± 0.07 |
19 | 20.64 | Germacrene D-4-ol | C15H24 | 1574 | 1576 | ------ | 2.35 ± 0.04 |
20 | 20.81 | Spathulenol | C15H24O | 1576 | 1577 | 0.81 ± 0.03 | 0.10 ± 0.01 |
21 | 20.98 | Isoaromadendrene epoxide | C15H24O | 1580 | 1579 | ------ | 1.50 ± 0.03 |
22 | 21.41 | Calarenepoxide | C15H24O | 1592 | 1592 | ------ | 1.07 ± 0.02 |
23 | 21.56 | Caryophyllene oxide | C15H24O | 1594 | 1593 | 0.86 ± 0.02 | 0.08 ± 0.01 |
24 | 21.66 | Salvial-4(14)-en-1-one | C15H24O | 1595 | 1595 | 2.20 ± 0.04 | 0.38 ± 0.01 |
25 | 21.93 | Ledene alcohol | C15H24O | 1729 | 1731 | ------ | 0.97 ± 0.03 |
26 | 22.1 | Carotol | C15H26O | 1597 | 1598 | 0.78 ± 0.02 | ------ |
27 | 22.42 | Humuladienone | C15H24O | 1607 | 1605 | ------ | 0.32 ± 0.01 |
28 | 23.09 | Neoclovenoxid | C15H24O | 1608 | 1610 | 0.90 ± 0.02 | 0.51 ± 0.03 |
29 | 23.33 | Cubenol | C15H26O | 1642 | 1642 | ------ | 0.74 ± 0.02 |
30 | 23.49 | Farnesol | C15H26O | 1722 | 1720 | 1.35 ± 0.05 | ------ |
31 | 23.55 | Ledene oxide-(i) | C15H24O | 1668 | 1667 | ------ | 10.93 ± 0.10 |
32 | 23.65 | Dendrolasin | C15H22O | 1574 | 1575 | 2.85 ± 0.06 | 8.37 ± 0.09 |
33 | 23.81 | Torreyol | C15H26O | 1645 | 1644 | ------ | 0.55 ± 0.02 |
34 | 25 | Isospathulenol | C15H24O | 1625 | 1627 | 1.90 ± 0.05 | ------ |
35 | 25.22 | tau-Muurolol | C15H26O | 1646 | 1646 | 3.88 ± 0.08 | 0.51 ± 0.03 |
36 | 25.32 | Aromadendrene oxide-2 | C15H24O | 1650 | 1649 | 8.81 ± 0.11 | 0.38 ± 0.02 |
37 | 25.85 | α-Eudesmol | C15H26O | 1652 | 1653 | 6.79 ± 0.08 | 0.77 ± 0.01 |
38 | 26.69 | γ-Cadinol | C15H26O | 1654 | 1655 | 0.91 ± 0.04 | ------ |
39 | 26.92 | Dehydro-cyclolongifolene oxide | C15H24O | 1657 | 1658 | 10.35 ± 0.12 | ------ |
Diterpenes | ------ | 2.44% | |||||
40 | 30.47 | Neophytadiene | C20H38 | 1840 | 1840 | ------ | 2.44 |
Carotenoids derived compounds | 0.28% | ------ | |||||
41 | 27.36 | α-Ionone | C13H20O | 1426 | 1426 | 0.28 ± 0.01 | ------ |
Others | 1.33% | 0.55% | |||||
42 | 18.66 | 1-Butanone, 1-(2,3,4,5-tetramethylphenyl)- | C14H20O | 1660 | 1661 | 0.46 ± 0.03 | 0.32 ± 0.02 |
43 | 26.32 | Methyl 2,5-octadecadiynoate | C19H30O2 | 1980 | 1980 | 0.64 ± 0.03 | 0.13 ± 0.01 |
44 | 42.28 | n-Pentacosane | C25H52 | 2500 | 2500 | ------ | 0.10 ± 0.01 |
45 | 45.48 | n-Heptacosane | C27H56 | 2700 | 2700 | 0.23±0.01 | ------ |
Total | 96.91% | 98.21% |
[a] Rt: retention time, [b] Literature Kovats retention index on DB-5 column with reference to n-alkanes [36], [c] experimental Kovats retention index; values of each compound are average ± SD from duplicates. The identification of essential oil (EO) components was performed based on the (a) mass spectral data of compounds (MS) and (b) Kovats indices with those of Wiley spectral library collection and NIST (National Institute of Standards and Technology) library database.