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. 2018 May 8;13(5):e0196462. doi: 10.1371/journal.pone.0196462

Table 1. VOCs composition determined by headspace solid-phase microextraction (HS-SPME).

No. Compound Molecular formula Compound class RI Area percentage (%)
1 2 3 4
1. Ethanol C2H5O Alcohol < 900 1.2 0.6 5.8 1.2
2. Methylthiomethane (Dimethyl sulfide) C2H6S Organosulfur compound < 900 12.8 22.2 59.3 1.0
3. 3-Methylbutanal C5H10O Aldehyde < 900 0.9 1.0 0.0 0.0
4. 2-Methylbutanal C5H10O Aldehyde < 900 0.5 0.0 0.0 0.0
5. Benzene C6H6 Aromatic compound < 900 0.0 0.0 0.0 0.1
6. Pent-1-en-3-one C5H8O Unsaturated ketone < 900 2.6 2.9 0.0 0.2
7. Pentanal C5H10O Aldehyde < 900 0.0 1.6 0.0 0.1
8. (2E)-Pent-2-enal C5H8O Aldehyde < 900 0.0 0.0 0.0 0.1
9. Dimethyl disulfide C2H6S2 Organosulfur compound < 900 0.0 0.0 0.0 0.1
10. 3-Methylbut-2-enal C5H8O Aldehyde < 900 1.5 1.6 0.0 0.1
11. (2Z)-Pent-2-en-1-ol C5H10O Unsaturated alcohol < 900 0.9 0.6 0.0 0.1
12. Methylbenzene C7H8 Aromatic compound < 900 0.0 0.0 0.0 0.1
13. Hexanal C6H12O Aldehyde < 900 4.7 1.5 0.2 0.3
14. (3E)-Octa-1,3-diene C8H14 Alkene < 900 2.3 0.7 0.0 0.7
15. (2E)-Hex-2-enal C6H10O Unsaturated aldehyde < 900 0.5 0.2 0.0 0.0
16. Hexan-1-ol C6H14O Alcohol < 900 2.4 0.0 0.0 0.0
17. (3Z,5E)-Octat-1,3,5-triene (Fucoserraten) C8H12 Alkene < 900 9.5 3.2 0.0 1.6
18. Tribromomethane CHBr3 Polyhalo-methane < 900 2.1 1.8 0.0 0.0
19. Heptanal C7H14O Aldehyde 903 0.3 0.5 0.0 0.1
20. 1-Iodopentane* C5H11I Organoiodine 929 0.8 0.0 0.0 0.0
21. (2E,4E,6E)-Octa-2,4,6-triene* C8H12 Alkene 941 0.2 0.0 0.0 0.1
22. α-Pinene C10H16 Monoterpene 942 0.0 0.0 0.1 0.0
23. (2Z)-Hept-2-enal C7H12O Unsaturated aldehyde 961 0.3 0.6 0.0 0.1
24. Benzaldehyde C7H6O Aldehyde 968 8.7 6.5 0.2 0.5
25. Dimethyl trisulfide C2H6S3 Organosulfur compound 978 0.0 0.0 0.0 0.1
26. (5Z)-Octa-1,5-dien- 3-ol C8H14O Unsaturated alcohol 978 0.7 0.0 0.0 0.0
27. Oct-1-en-3-one C8H14O Unsaturated ketone 981 0.5 1.1 0.0 0.1
28. Oct-1-en-3-ol C8H16O Unsaturated alcohol 983 1.2 2.5 0.0 0.2
29. Octan-3-one C8H16O Ketone 987 4.1 0.0 0.0 0.0
30. 6-Methylhept- 5-en-2-one C8H14O Unsaturated ketone 989 0.0 9.5 0.0 0.7
31. Octan-2-one C8H16O Ketone 993 0.0 1.6 0.0 0.0
32. 2-Pentylfuran C9H14O Furan derivative 994 0.7 0.0 0.2 0.0
33. (2E,4Z)-Hepta-2,4-dienal C7H10O Unsaturated aldehyde 999 2.4 0.7 0.0 0.2
34. Octanal C8H16O Aldehyde 1004 4.7 0.5 0.0 0.0
35. (2E,4E)-Hepta-2,4-dienal C7H10O Unsaturated aldehyde 1014 0.7 0.8 0.0 0.0
36. 1,8-Cineole C10H18O Monoterpene 1037 0.0 0.6 0.0 0.1
37. Phenylacetladehyde C8H8O Aromatic aldehyde 1050 0.9 0.7 0.1 0.0
38. (2E)-Oct-2-enal C8H14O Unsaturated aldehyde 1062 0.7 0.5 0.0 0.1
39. Octan-1-ol C8H18O Alcohol 1077 5.1 0.0 0.0 0.3
40. Nonanal C9H18O Aldehyde 1105 0.4 0.3 0.0 0.1
41. 6-[(1Z)-1-Butenyl]-1,4-cycloheptadiene (Dictyopterene D) C11H16 Alkene 1156 1.9 7.4 0.0 0.0
42. 6-Butyl-1,4-cycloheptadiene (Dictyopterene C) C11H18 Alkene 0.7 0.7 0.0 0.0
43. Decanal C10H20O Aldehyde 1207 0.2 0.0 0.0 0.0
44. β-Cyclocitral C10H16O C13-Norisoprenoid 1223 0.5 0.8 0.0 0.0
45. Decan-1-ol C10H22O Alcohol 1279 0.0 0.0 0.0 0.1
46. (2E,4Z)-Deca-2,4-dienal C10H16O Unsaturated aldehyde 1295 0.5 0.0 0.0 0.0
47. (2E,4E)-Deca-2,4-dienal C10H16O Unsaturated aldehyde 1318 0.4 0.0 0.0 0.0
48. α-Cubebene C15H24 Sesquiterpene 1352 0.0 0.0 0.0 1.5
49. Cycloisosativene C15H24 Sesquiterpene 1367 0.0 0.0 0.0 0.5
50. α-Ylangene C15H24 Sesquiterpene 1372 0.0 0.0 0.0 0.3
51. α-Copaene C15H24 Sesquiterpene 1377 0.0 0.0 0.0 0.7
52. β-Bourbonene C15H24 Sesquiterpene 1386 0.0 0.0 0.0 5.1
53. β-Cubebene C15H24 Sesquiterpene 1390 0.0 0.0 0.0 0.8
54. Tetradec-1-ene C14H28 Alkene 1393 0.0 1.4 0.0 0.0
55. Tetradecane C14H30 Alkane 1400 0.0 0.0 0.6 0.0
56. Dodecanal C12H24O Aldehyde 1409 0.3 0.0 0.0 0.0
57. α-Ionone C13H20O C13-Norisoprenoid 1429 0.4 0.9 0.0 0.0
58. Aromadendrene C15H24 Sesquiterpene 1440 0.0 0.0 0.0 0.3
59. (E)-β-farnesene C15H24 Sesquiterpene 1459 0.0 0.0 0.0 1.0
60. γ-Muurolene C15H24 Sesquiterpene 1465 0.0 0.0 0.0 2.1
61. β-Cadinene C15H24 Sesquiterpene 1474 0.0 0.0 0.0 2.8
62. α-Amorphene C15H24 Sesquiterpene 1478 0.0 0.0 0.0 3.5
63. Dodecan-1-ol C12H26O Alcohol 1479 0.4 0.0 0.0 0.0
64. Germacrene D C15H24 Sesquiterpene 1481 0.0 0.0 0.0 28.3
65. Ar-curcumene C15H22 Sesquiterpene 1484 0.7 0.0 0.0 0.9
66. β-Ionone C13H20O C13-Norisoprenoid 1487 1.2 0.7 0.0 0.0
67. Pentadec-1-ene C15H30 Alkene 1493 3.3 3.2 0.0 0.0
68. Bicyclogermacrene C15H24 Sesquiterpene 1496 0.0 0.0 0.0 4.7
69. Epizonarene C15H24 Sesquiterpene 1498 0.0 0.0 0.0 4.3
70. α-Muurolene C15H24 Sesquiterpene 1499 0.0 0.0 0.0 2.2
71. Pentadecane C15H32 Alkane 1500 2.6 1.4 14.5 0.0
72. δ-Selinene C15H24 Sesquiterpene 1507 0.0 0.0 0.0 2.7
73. Tridecanal C13H26O Aldehyde 1511 0.5 0.0 0.2 0.0
74. γ-Cadinene C15H24 Sesquiterpene 1515 0.0 0.0 0.0 3.4
75. δ-Cadinene C15H24 Sesquiterpene 1525 0.0 0.0 0.0 8.3
76. trans-γ-Bisabolene C15H24 Sesquiterpene 1533 0.3 0.0 0.0 0.0
77. trans-Cadina-1,4-diene C15H24 Sesquiterpene 1534 0.0 0.0 0.0 1.2
78. α-Cadinene C15H24 Sesquiterpene 1539 0.0 0.0 0.0 0.9
79. α-Calacorene C15H24 Sesquiterpene 1545 0.0 0.0 0.0 1.3
80. Germacrene B C15H24 Sesquiterpene 1555 0.3 0.0 0.0 3.6
81. Dendrolasin C15H22O Furan derivative 1575 0.3 1.2 0.0 0.0
82. Hexadecane C16H34 Alkane 1600 0.0 0.0 0.4 0.0
83. α-Cadinol C15H26O Sesquiterpene 1645 0.0 0.0 0.0 0.2
84. τ-Muurolol C15H26O Sesquiterpene 1657 0.0 0.0 0.0 0.1
85. (8E)-Heptadec-8-ene C17H34 Alkene 1679 0.7 1.6 0.1 0.0
86. Heptadec-1-ene C17H34 Alkene 1693 1.1 0.6 0.0 0.0
87. Heptadecane C17H36 Alkane 1700 4.0 9.1 7.2 0.1
88. Octadecanal C18H36O Aldehyde 1715 0.3 0.0 1.5 0.0
89. Octadecane C18H38 Alkane 1800 0.0 0.0 0.6 0.0
90. Nonadecane C19H40 Alkane 1900 0.0 0.0 6.3 0.1
91. Heneicosane C21H44 Alkane 2100 0.0 0.0 0.6 0.0
Total identified (%) 95.0 92.8 97.9 89.9

The symbols in the table are: 1 –H. filicina; 2 –F. petiolata; 3 –P. oceanica; 4 –D. dichotoma; RI–retention indices relative to C9-C25 alkanes

*—tentatively identified