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. 2018 Oct 12;23(10):2620. doi: 10.3390/molecules23102620

Table 1.

Chemical compositions of the essential oils of Baccharis species. RRI: relative retention indices.

No. RRI a RI Lit b RRI c RI Lit d Compound Name Peak Area % e
B. microdonta B. pauciflosculosa B. punctulata B. reticularioides B. sphenophylla ID
NC PC NC PC NC PC NC PC NC PC
1 937 924 1019 1038 α-Thujene - - 3.42 2.94 0.41 0.43 0.89 1.18 0.54 0.37 MS, RI
2 942 932 1014 1036 α-Pinene 0.72 0.73 10.45 9.44 3.55 3.15 24.50 24.78 10.74 8.04 tR, MS, RI
3 954 946 1050 1083 Camphene f - - 0.78 0.75 0.19 0.18 0.43 0.42 0.39 0.30 tR, MS, RI
4 950 953 1109 - Thuja-2,4(10)-diene - - - - - - 2.91 3.65 0.12 0.09 MS, RI
5 973 969 1105 1130 Sabinene f - - 2.75 2.62 0.89 0.79 0.39 0.85 3.82 3.18 tR, MS, RI
6 976 974 1089 1124 β-Pinene 2.24 2.33 18.33 16.50 4.95 4.41 7.68 9.24 15.24 13.17 tR, MS, RI
7 988 988 1156 1156 β-Myrcene - - 3.65 2.76 0.30 0.23 0.27 0.29 0.67 0.57 tR, MS, RI
8 1001 1002 1151 1177 α-Phellandrene - - - - 0.33 0.11 - - - - tR, MS, RI
9 1003 1008 - 1141 δ-(3)-Carene - - - - - - - - 0.99 0.82 tR, MS, RI
10 1010 1014 1198 1188 α-Terpinene - - 0.19 - 0.10 - 0.43 0.39 0.58 0.64 tR, MS, RI
11 1018 1020 1271 1272 p-Cymene - - 0.82 1.24 3.44 1.94 3.18 3.27 1.31 1.79 tR, MS, RI
12 1021 1024 1189 1206 Limonene f 1.12 1.14 18.77 14.99 11.35 9.77 2.47 2.75 14.33 11.81 tR, MS, RI
13 1040 1044 1254 1250 trans-β-Ocimene - - - - 0.25 0.14 0.14 0.08 - - MS, RI
14 1049 1054 1243 1251 γ-Terpinene - - 0.31 - 0.16 0.06 0.70 0.38 1.03 0.41 tR, MS, RI
15 1074 1086 1267 1287 Terpinolene f - - - - - - 0.44 0.20 0.37 0.18 tR, MS, RI
16 1079 1089 1462 - p-Cymenene - - - - - - 0.85 1.01 0.11 0.12 MS, RI
17 1092 1095 1593 1506 Linalool f 0.14 - 0.41 0.57 0.31 0.37 - - 0.15 0.22 tR, MS, RI
18 1106 1101 1449 - Thujone f - - - - - - 0.52 0.55 - - tR, MS, RI
19 1115 1122 1518 - α-Campholenal - - - - - - 1.63 2.38 - - MS, RI
20 1124 1135 1607 - Nopinone - - - - - - 0.38 0.42 - - MS, RI
21 1127 1135 1695 - trans-Pinocarveol 0.73 1.23 0.41 0.92 0.27 0.37 4.44 6.84 0.79 1.23 tR, MS, RI
22 1133 1140 1700 - trans-Verbenol - - 0.10 0.34 0.11 0.18 0.94 0.61 0.11 - MS, RI
23 1138 - 1706 - Unknown 1
[m/z 94 (100%), 79 (89.9%), 59 (79.7%), 91 (51.7%)]		 - - - - - - 2.12 2.10 - - MS
24 1148 1160 1597 - Pinocarvone f 0.32 0.29 0.26 0.16 0.16 0.09 0.80 1.03 0.27 0.34 tR, MS, RI
25 1161 - 1769 - α-Phellandren-8-ol - - - - - - 5.60 3.72 0.15 0.03 MS
26 1168 1174 1643 1628 Terpinene-4-ol f - - 1.19 1.23 0.47 0.44 1.34 1.29 3.10 3.45 tR, MS, RI
27 1176 1179 1882 1846 p-Cymene-8-ol - - 0.11 0.17 - - 0.83 1.16 0.21 0.32 MS, RI
28 1181 1195 1659 - Myrtenal f 0.59 0.67 0.34 0.41 0.24 0.27 2.14 3.25 0.53 0.62 tR, MS, RI
29 1184 1186 1740 1731 α-Terpineol 0.97 0.65 0.92 0.74 0.42 0.26 4.82 0.61 1.85 1.42 tR, MS, RI
30 1193 1204 1737 1733 Verbenone f - - - - - - 2.95 2.65 - - tR, MS, RI
31 1208 1225 1850 1820 cis-Carveol 0.15 - 0.13 0.34 0.27 0.30 1.19 1.15 0.27 0.38 MS, RI
32 1231 1239 1765 1715 Carvone f 0.17 - 0.13 0.22 0.42 0.46 0.43 0.46 0.22 0.31 MS, RI
33 1235 - 1867 - 2-Carene-4-ol - - - - - - 0.32 0.17 - - MS
34 1271 1284 1615 1599 Bornyl acetate f - - - - 1.32 1.04 0.60 0.51 0.12 0.09 tR, MS, RI
35 1356 1374 1515 1493 α-Copaene 0.26 0.28 0.21 0.33 - - - - 0.26 0.34 MS, RI
36 1370 1389 1621 1591 β-Elemene 0.87 1.10 0.41 0.51 0.67 0.53 - - 0.23 - MS, RI
37 1395 1417 1624 1617 β-Caryophyllene 0.97 0.92 1.80 1.55 3.35 2.76 - - 3.61 3.46 tR, MS, RI
38 1427 1437 1707 1672 α-Humulene 0.39 0.26 0.19 - 0.42 0.41 - - 0.31 0.12 tR, MS, RI
39 1447 1478 1720 1692 γ-Muurolene 0.15 0.28 0.26 0.56 0.17 0.54 - - 0.27 0.47 MS, RI
40 1451 1484 1737 1712 Germacrene-D 0.64 0.41 2.56 0.68 3.63 2.48 - - 1.44 0.80 MS, RI
41 1458 1489 1746 1756 β-Selinene 1.35 1.23 0.15 0.11 0.12 0.16 0.18 0.07 0.24 0.21 MS, RI
42 1460 1496 1725 - Ledenef - - 0.29 0.10 0.12 0.13 - - 0.17 0.14 tR, MS, RI
43 1464 1500 1761 1744 Bicyclogermacrene f - - 1.25 0.01 3.10 2.85 - - 0.48 0.05 MS, RI
44 1464 1498 1751 1729 α-Selinene 0.58 0.48 - - - - - MS, RI
45 1469 1500 1756 1730 α-Muurolene 0.14 - 0.63 0.73 0.26 0.27 - - 0.29 0.26 MS, RI
46 1480 1505 1705 1745 β-Bisabolene - - - - 1.18 0.78 - - - - MS, RI
47 1488 1522 1787 1761 δ-Cadinene 1.00 1.17 2.74 1.96 1.13 1.35 0.28 1.04 0.79 1.52 MS, RI
48 1509 1544 1930 1916 α-Calacorene 0.78 0.37 - - - - 0.43 0.18 0.18 0.21 MS, RI
49 1520 1548 2080 2078 Elemol f - - 0.12 - 1.02 1.09 - - - - MS, RI
50 1537 1561 2051 2044 (E)-Nerolidol - - 0.43 0.60 0.13 0.30 - - 0.17 0.17 MS, RI
51 1540 1567 1942 1931 Palustrol f 3.23 3.22 - - 0.13 - - - - - MS, RI
52 1551 1577 2114 2153 Spathulenol f 22.74 24.19 9.53 12.18 9.96 11.66 5.52 2.70 13.15 14.92 tR, MS, RI
53 1555 1582 1987 1966 Caryophyllene oxide f 6.84 7.47 2.11 3.44 5.30 6.01 1.37 1.34 5.34 6.78 tR, MS, RI
54 1559 1590 2128 - Globulol 0.59 0.69 - - - - - - 0.36 0.32 MS, RI
55 1571 1592 2080 2112 Viridiflorol f 4.36 4.90 1.81 2.69 - - - - 1.66 2.01 tR, MS, RI
56 1585 1602 2031 - Ledol f 2.38 2.55 - - - - - - - - MS, RI
57 1622 1627 2063 2037 1-epi-Cubenol 1.03 0.57 0.38 0.39 - - - - - - MS, RI
58 1625 1630 - - γ-Eudesmol - - - - 1.09 1.65 - - - - MS, RI
59 1630 - - - Unknown 2
[m/z 119 (100%), 105 (92.9%), 91 (90.2%), 93 (79.5%)]		 1.37 1.22 - - - - - - - - MS
60 1633 1638 2094 - epi-α-Cadinol 0.18 0.38 - - 1.95 2.09 - - - - MS, RI
61 1644 1644 2151 2150 δ-Cadinol 0.42 0.33 0.77 0.65 0.26 0.64 2.64 1.56 2.27 2.03 MS, RI
62 1647 1640 2164 - epi-α-Muurolol 0.19 - 0.65 0.75 0.27 0.33 - - - - MS, RI
63 1659 1649 2196 2248 β-Eudesmol - - - - 0.64 1.65 - - - - tR, MS, RI
64 1661 1656 2120 - α-Bisabolol oxide B - - - - 1.17 0.47 - - - - MS, RI
65 1662 1652 2200 2224 α-Cadinol - - 1.44 2.08 - - 1.36 0.46 1.49 2.10 MS, RI
66 1665 - 2214 - Kongol 22.22 20.09 - - - - - - - - tR, MS
67 1672 1675 2209 2203 Cadalene - - - - 1.34 1.32 - - - - MS, RI
68 1697 - 2278 - Murolan-3,9(11)-diene-10-peroxy 0.54 0.64 - - - - - - - - MS
69 1705 - 2292 - (1R,7S,E)-7-Isopropyl-4,10-dimethylenecyclodec-5-enol 0.83 0.94 0.39 0.28 - - - - 0.42 0.46 MS
70 1708 1685 2190 2022 α-Bisabolol - - - - 23.63 20.72 - - - - tR, MS, RI
Compounds identified (%) 58.33 52.63 77.36 67.27 77.96 73.33 74.50 66.66 76.66 69.84
Monoterpenoids hydrocarbons 6.67 5.26 20.75 16.36 22.03 20.00 27.45 24.56 25.00 23.81
Oxygenated monoterpenoids 10.00 7.02 16.98 16.36 15.26 15.00 33.33 29.82 18.33 15.87
Sesquiterpenoids hydrocarbons 18.33 17.54 20.75 18.19 18.64 18.33 5.88 5.26 20.00 17.46
Oxygenated sesquiterpenoids 23.33 22.81 18.88 16.36 22.03 20.00 7.84 7.02 13.33 12.70

RRI a, relative retention indices calculated against n-alkanes on the DB-5MS column; RI lit b, retention index literature (DB-5 column) [37]; RRI c, relative retention indices calculated against n-alkanes on the DB-WAX column; RI lit d, retention index literature (CW20M column) [38], Peak Area% e; stereoisomers not identified f; NC, non-polar column; PC, polar column, tR, identification based on the retention times (tR) of genuine compounds on the DB-5MS column; MS, identified on the basis of computer matching of the mass spectra with those of the Wiley and NIST libraries and comparison with literature data. The compounds in bold represent the major compounds.