Table 1.
RI | Compound name | Peak area (%) ± SD | Identification | ||||
---|---|---|---|---|---|---|---|
BM | MM | MB | |||||
Aldehydes | |||||||
803 | Hexanal | 12.82 ± 0.42 | 7.49 ± 0.42 | 7.69 ± 0.27 | MS,RT | ||
848 | ( E)-2-Hexenal | 0.22 ± 0.03 | 0.11 ± 0.01 | 0.23 ± 0.02 | MS,RT | ||
903 | Heptanal | 2.01 ± 0.07 | 0.75 ± 0.11 | 2.90 ± 0.09 | MS,RT | ||
953 | ( E)-2-Heptenal | 2.47 ± 0.03 | 1.29 ± 0.04 | n.d. | MS,RT | ||
1002 | Octanal | 0.44 ± 0.03 | 0.19 ± 0.01 | 0.44 ± 0.06 | MS,RT | ||
1016 | ( E,E)-2,4-Heptadienal | 0.24 ± 0.02 | 0.12 ± 0.02 | 0.16 ± 0.03 | MS,RT | ||
1045 | Benzeneacetaldehyde | 0.25 ± 0.01 | 0.96 ± 0.05 | 2.03 ± 0.09 | MS,RI | ||
1057 | ( E)-2-Octenal | 1.54 ± 0.07 | 0.91 ± 0.17 | 1.55 ± 0.05 | MS,RT | ||
1106 | Nonanal | 3.50 ± 0.23 | 2.23 ± 0.13 | 5.89 ± 0.17 | MS,RT | ||
1163 | ( E)-2-Nonenal | 1.84 ± 0.14 | 2.63 ± 0.16 | 5.62 ± 0.18 | MS,RT | ||
1208 | Decanal | 0.53 ± 0.02 | 0.46 ± 0.04 | 1.06 ± 0.10 | MS,RT | ||
1218 | ( E,E)-2,4-Nonadienal | 0.46 ± 0.02 | 0.35 ± 0.03 | 0.42 ± 0.02 | MS,RT | ||
1312 | ( E,E)-2,4-Decadienal | 4.43 ± 0.48 | 3.36 ± 0.17 | 2.49 ± 0.36 | MS,RT | ||
1409 | Dodecanal | n.d. | 0.05 ± 0.01 | n.d. | MS,RT | ||
1509 | Tridecanal | 0.37 ± 0.04 | n.d. | 0.27 ± 0.02 | MS,RT | ||
1614 | Tetradecanal | 0.65 ± 0.09 | n.d. | n.d. | MS,RT | ||
1716 | Pentadecanal | 2.43 ± 0.14 | 0.87 ± 0.06 | 0.93 ± 0.05 | MS,RT | ||
Subtotal | 34.21 ± 0.96 | 21.76 ± 1.05 | 31.65 ± 0.20 | ||||
Benzene derivatives | |||||||
855 | Ethyl-benzene | n.d. | 0.03 ± 0.00 | n.d. | MS,RT | ||
868 | 1,3-Dimethylbenzene | 0.18 ± 0.02 | 0.07 ± 0.00 | n.d. | MS,RI | ||
1114 | 1,2,4,5-Tetramethylbenzene | n.d. | n.d. | 0.19 ± 0.01 | MS,RI | ||
1179 | Naphthalene | 4.93 ± 0.26 | 2.35 ± 0.15 | 6.75 ± 0.34 | MS,RT | ||
1284 | 2-Methylnaphthalene | 8.87 ± 0.54 | 5.36 ± 0.21 | 14.18 ± 0.26 | MS,RI | ||
1305 | 1-Methylnaphthalene | 3.64 ± 0.28 | 2.30 ± 0.05 | 5.61 ± 0.39 | MS,RT | ||
1351 | Biphenyl | 0.83 ± 0.04 | 0.14 ± 0.01 | 4.95 ± 0.58 | MS,RI | ||
1366 | 1-Ethylnaphthalene | 1.58 ± 0.08 | 2.30 ± 0.07 | n.d. | MS,RT | ||
1426 | 1,6-Dimethylnaphthalene | n.d. | 2.37 ± 0.07 | n.d. | MS,RI | ||
1436 | Diphenylmethane | 0.36 ± 0.02 | 0.24 ± 0.00 | 0.46 ± 0.05 | MS,RI | ||
1566 | Fluorene | 0.69 ± 0.03 | 0.35 ± 0.02 | 0.51 ± 0.02 | MS,RI | ||
1794 | Phenanthrene | 0.59 ± 0.16 | 0.39 ± 0.01 | 0.29 ± 0.03 | MS,RI | ||
Subtotal | 21.67 ± 0.76 | 15.90 ± 0.30 | 32.94 ± 1.57 | ||||
Alcohols | |||||||
766 | 1-Pentanol | 1.16 ± 0.11 | n.d. | 0.31 ± 0.03 | MS,RT | ||
872 | 1-Hexanol | 2.41 ± 0.13 | 0.86 ± 0.09 | 1.42 ± 0.03 | MS,RT | ||
982 | 1-Octen-3-ol | 0.28 ± 0.03 | 0.46 ± 0.05 | 0.98 ± 0.12 | MS,RT | ||
1069 | ( Z)-2-Octen-1-ol | n.d. | n.d. | 0.38 ± 0.02 | MS,RI | ||
1079 | 1-Octanol | 0.21 ± 0.01 | n.d. | 0.14 ± 0.02 | MS,RT | ||
Subtotal | 4.06 ± 0.20 | 1.31 ± 0.14 | 3.23 ± 0.10 | ||||
Ketones | |||||||
891 | 2-Heptanone | 1.03 ± 0.05 | 0.38 ± 0.03 | 0.26 ± 0.01 | MS,RT | ||
974 | 1-Octen-3-one | n.d. | n.d. | 0.29 ± 0.02 | MS,RI | ||
983 | 2,5-Octanedione | 0.19 ± 0.03 | 0.07 ± 0.02 | n.d. | MS,RI | ||
1036 | 3-Octen-2-one | 0.30 ± 0.01 | n.d. | n.d. | MS,RT | ||
1065 | Acetophenone | 0.14 ± 0.01 | 0.06 ± 0.01 | 0.14 ± 0.01 | MS,RI | ||
1086 | ( E,E)-3,5-Octadien-2-one | 0.75 ± 0.02 | 0.59 ± 0.03 | 0.08 ± 0.01 | MS,RI | ||
1135 | 3-Nonen-2-one | 0.08 ± 0.01 | 0.04 ± 0.00 | 0.04 ± 0.00 | MS,RT | ||
1859 | 2-Heptadecanone | 0.60 ± 0.05 | n.d. | n.d. | MS,RI | ||
1921 | ( E,E)-6,10,14-Trimethyl-,9,13- | 1.73 ± 0.11 | 0.50 ± 0.04 | n.d. | MS,RI | ||
pentadecatrien-2-one | |||||||
Subtotal | 4.82 ± 0.05 | 1.63 ± 0.11 | 0.81 ± 0.03 | ||||
Hydrocarbons | |||||||
1200 | Dodecane | 0.88 ± 0.04 | n.d. | n.d. | MS,RT | ||
1300 | Tridecane | 0.12 ± 0.01 | 0.09 ± 0.01 | n.d. | MS,RT | ||
1500 | Pentadecane | 1.02 ± 0.12 | 0.88 ± 0.05 | 1.77 ± 0.21 | MS,RT | ||
1600 | Hexadecane | 1.75 ± 0.15 | 1.42 ± 0.08 | 2.28 ± 0.13 | MS,RT | ||
1700 | Heptadecane | 0.74 ± 0.22 | 0.92 ± 0.04 | n.d. | MS,RT | ||
1800 | Octadecane | 0.39 ± 0.08 | 0.69 ± 0.03 | 0.58 ± 0.03 | MS,RT | ||
1900 | Nonadecane | n.d. | 0.87 ± 0.04 | 0.32 ± 0.03 | MS,RT | ||
Subtotal | 4.90 ± 0.37 | 4.86 ± 0.10 | 4.95 ± 0.35 | ||||
Acids | |||||||
1765 | Tetradecanoic acid | 0.29 ± 0.01 | 0.31 ± 0.03 | n.d. | MS,RT | ||
1833 | Pentadecanoic acid | n.d. | 0.47 ± 0.04 | 0.37 ± 0.01 | MS,RT | ||
1951 | Hexadecanoic acid | 16.43 ± 1.28 | 35.77 ± 1.62 | 8.98 ± 0.29 | MS,RT | ||
Subtotal | 16.72 ± 1.29 | 36.54 ± 1.65 | 9.35 ± 0.29 | ||||
Esters | |||||||
1264 | Propyl benzoate | n.d. | 0.16 ± 0.01 | 0.17 ± 0.01 | MS,RI | ||
1334 | Benzoic acid, butyl ester | 0.81 ± 0.07 | 0.21 ± 0.00 | 1.76 ± 0.14 | MS,RI | ||
1936 | Hexadecanoic acid, methyl ester | n.d. | 0.24 ± 0.02 | n.d. | MS,RT | ||
1968 | Hexadecanoic acid, ethyl ester | 0.98 ± 0.05 | n.d. | 0.24 ± 0.03 | MS,RI | ||
Subtotal | 1.79 ± 0.09 | 0.61 ± 0.03 | 2.18 ± 0.17 | ||||
Heterocycles | |||||||
812 | 3-Furaldehyde | n.d. | n.d. | 0.27 ± 0.03 | MS,RI | ||
829 | Furfural | n.d. | 0.04 ± 0.00 | 0.05 ± 0.01 | MS,RI | ||
865 | 2-Furanmethanol | n.d. | n.d. | 0.13 ± 0.01 | MS,RI | ||
907 | 1-(2-Furanyl)-ethanone | n.d. | n.d. | 0.27 ± 0.01 | MS,RI | ||
992 | 2-Pentylfuran | 3.73 ± 0.08 | 2.94 ± 0.14 | 5.11 ± 0.18 | MS,RT | ||
Subtotal | 3.73 ± 0.08 | 2.98 ± 0.13 | 5.83 ± 0.21 | ||||
Sulphur-containing | |||||||
916 | Diethyl disulphide | 0.11 ± 0.02 | 0.04 ± 0.01 | 0.04 ± 0.01 | MS,RT | ||
1025 | 2-Acetylthiazole | 0.13 ± 0.01 | 0.08 ± 0.01 | 0.28 ± 0.05 | MS,RI | ||
1220 | Benzothiazole | 0.09 ± 0.01 | 0.32 ± 0.00 | 0.43 ± 0.04 | MS,RI | ||
Subtotal | 0.33 ± 0.02 | 0.44 ± 0.01 | 0.74 ± 0.05 | ||||
Total | 92.32 ± 4.82 | 86.03 ± 3.25 | 91.68 ± 2.97 |
MS: confirmed by mass spectrum analysis; RT: identified by retention time of standard compounds; RI: identified by retention index; n.d.: not detected.