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. 2023 Nov 30;28(23):7861. doi: 10.3390/molecules28237861

Table 1.

Chemical compositions of the essential oils based on GC/MS analysis (n = 3).

No. KI Compound Relative Abundance%
Cal. Rep. Scl Scf Scs Scb
1. 932 939 α-pinene 0.69 13.13 5.47 7.92
2. 946 946 Camphene - 0.55 - 0.21
3. 972 971 α-thujene 0.86 - - -
4. 974 974 β-pinene 0.45 6.58 5.20 3.34
5. 991 991 β-Myrecene - 0.42 - 0.06
6. 1024 1028 o-Cymene 0.48 - - 0.36
7. 1028 1029 D-Limonene 1.69 2.67 - 4.08
8. 1059 1060 γ-terpinene 0.21 - - -
9. 1071 1071 Linalool oxide - - - 0.05
10. 1097 1097 α-Pinene epoxide - - - 0.34
11. 1100 1100 Linalool 0.48 - - 0.7
12. 1106 1105 trans-para-Mentha-2,8-dien-1-ol 0.44 - - 0.46
13. 1113 1111 Fenchol 1.12 0.62 - 0.68
14. 1122 1122 cis-2-p-Menthen-1-ol 0.28 - - 0.20
15. 1126 1125 α-Campholenal 0.13 - - 0.17
16. 1134 1134 Limonene 1,2-epoxide - - - 0.12
17. 1139 1139 (-)-trans-Pinocarveol 0.67 0.5 - 0.78
18. 1145 1143 cis-Verbenol 0.75 - - 0.27
19. 1148 1148 Camphene hydrate 0.77 - - 0.41
20. 1163 1164 Pinocarvone 0.12 0.43 - 0.31
21. 1166 1166 Endo-Borneol 0.85 0.57 - 0.59
22. 1178 1182 Terpinen-4-ol 1.60 - - 0.45
23. 1187 1188 p-Cymen-8-ol 1.48 - - 0.22
24. 1193 1192 α-Terpineol 12.31 12.48 - 6.79
25. 1198 1198 Myrtenal 0.73 0.75 - 0.70
26. 1210 1210 Verbenone 0.40 - - 0.29
27. 1221 1220 α-Fenchyl acetate 1.45 - - 0.58
28. 1224 1227 2-Hydroxy-1,8-cineole 0.32 - - 0.06
29. 1243 1243 p-Cumic aldehyde 0.22 - - -
30. 1247 1246 Carvone 0.11 - - 0.25
31. 1277 1274 p-Menth-1-en-7-al 1.75 - - 0.12
32. 1287 1287 Bornyl acetate 5.85 - - 1.5
33. 1294 1293 p-Cymen-7-ol 0.23 - - -
34. 1301 1297 trans-Pinocarvyl acetate 0.42 - - 0.52
35. 1306 1305 Carvacrol 0.61 - - 0.39
36. 1351 1351 α-Terpinyl acetate 0.14 - - -
37. 1379 1379 α-Copaene 0.17 - - 0.1
38. 1385 1385 Geranyl acetate - - - 0.22
39. 1423 1422 trans-β-Caryophyllene 1.35 13.6 60.79 0.34
40. 1431 1432 α-Ionone 0.19 - - 0.16
41. 1443 1447 Aromandendrene 0.1 - - 0.15
42. 1458 1459 α-Caryophyllene 1.33 10.05 25.15 0.38
43. 1466 1466 Alloaromadendrene 0.31 - - -
44. 1474 1479 Aristolochene 0.53 - - 0.20
45. 1480 1480 γ-Muurolene 0.33 4.04 - 0.15
46. 1492 1492 β-Selinene 0.76 - 0.51 0.15
47. 1504 1504 α-Muurolene 0.16 - - 0.71
48. 1528 1528 γ-Cadinene 1.56 - 1.14 0.47
49. 1559 1552 Isopatchoulane - - - 0.76
50. 1567 1567 trans-(E)-Nerolidol 1.03 - - 0.23
51. 1577 1581 Palustrol 1.93 0.60 - 0.58
52. 1586 1586 (+)-Spathulenol 4.49 - - 0.32
53. 1592 1592 Caryophyllene oxide 17.24 22.63 1.27 26.92
54. 1599 1598 Viridiflorol 0.32 - - 0.41
55. 1609 1608 Epiglobulol 2.39 1.26 - 0.58
56. 1618 1613 α-Humulene epoxide II 8.27 7.62 0.46 10.44
57. 1640 1641 Caryophylla-4(12),8(13)-dien-5α-ol 1.59 0.88 - 1.55
58. 1644 1644 Caryophylla-4(12),8(13)-dien-5β-ol 0.62 - - 0.87
59. 1648 1648 τ-Cadinol 0.38 - - 0.55
60. 1653 1652 δ-Cadinol 0.1 - - 0.14
61. 1659 1655 trans-Guai-11-en-10-ol 1.49 - - 1.41
62. 1678 1679 α-Bisabolene oxide 0.76 - - 2.1
63. 1731 1733 (Z)-α-Bisabolene epoxide 0.54 - - 1.05
64. 1744 1746 Bisabolone 0.22 - - 0.47
65. 1785 1789 β-bisabolen-15-ol 0.43 - - 0.63
66. 1839 1838 Hexahydro farnesyl acetone - - - 0.31
67. 1971 1961 Cembrene A 0.34 - - -
68. 2026 2033 Kaur-16-ene 0.49 - - -
69. 2084 2085 1-Octadecanol - - - 0.07
70. 2097 2100 n-Heneicosane - - - 0.1
71. 2114 2114 Phytol 0.27 - - -
72. 2128 2120 Phenethyl anthranilate 0.28 - - 0.34
73. 2155 2161 Cembrenol 0.32 - - -
74. 2169 2158 incensole 3.41 - - -
75. 2197 2200 n-Docosane - - - 0.13
76. 2297 2300 n-Tricosane 0.13 - - 0.43
77. 2303 2302 Methyl cis-11-eicosenoate 0.12 - - -
78. 2397 2400 n-Tetracosane - - - 0.32
79. 2496 2500 n-Pentacosane 0.2 - - 0.87
80. 2696 2700 n-Heptacosane - - - 1.53
81. 2895 2900 n-Nonacosane 0.21 - - 1.77
82. 3095 3100 n-Hentriacontane - - - 1.38
Total identified compounds% 92.13% 99.42% 100% 92.97%

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 shown as the average of three replicas. (-): Unidentified in the sample. Standard deviation did not exceed 3% for any of the values. KI: Kovats index calculated on Rtx-5MS column. (Scl) S. cumini leaves, (Scf) S. cumini fruits, (Scs) S. cumini seeds, (Scb) S. cumini bark.