Table 1.
Compounds | ID a | KI b | KI c | Peak Area (× 106, mean ± SD) d | |||
---|---|---|---|---|---|---|---|
CWR/PDMS | DVB/PDMS | PDMS | PA | ||||
Alcohols | |||||||
1-Penten-3-ol | MS, KI | 1172 | 1165 | 479.54 ± 1.84 a | 333.05 ± 2.49 b | 53.74 ± 0.10 d | 153.77 ± 3.08 c |
1-Pentanol | MS, KI | 1260 | 1261 | 83.73 ± 2.17 a | 52.70 ± 0.09 b | ND | 16.84 ± 0.06 c |
(Z)-2-Penten-1-ol | MS, KI | 1327 | 1325 | 369.49 ± 6.31 a | 154.93 ± 1.34 b | 15.60 ± 1.06 d | 82.52 ± 1.92 c |
1-Hexanol | MS, KI | 1361 | 1359 | 76.50 ± 2.12 a | 35.61 ± 1.11 b | ND | 8.60 ± 0.11 c |
1-Octen-3-ol | MS, KI | 1456 | 1456 | 30.88 ± 1.08 a | 26.91 ± 0.00 b | 4.66 ± 0.42 c | ND |
1-Methylcycloheptanol | MS | 1598 | 1160.26 ± 75.40 b | 1270.00 ± 31.02 a | 253.16 ± 4.04 c | 126.27 ± 7.96 d | |
Aldehydes | |||||||
2-Methylbutanal | MS, KI | 912 | 896 | ND | 7.18 ± 0.35 | ND | ND |
3-Methylbutanal | MS, KI | 916 | 900 | ND | 5.96 ± 0.03 | ND | ND |
Hexanal | MS, KI | 1078 | 1081 | 273.84 ± 6.57 a | 109.82 ± 1.32 b | ND | 23.44 ± 1.21 c |
(E)-2-Pentenal | MS, KI | 1130 | 1130 | 33.92 ± 0.10 a | ND | ND | 5.92 ± 0.27 b |
2-Methyl-2-pentenal | MS, KI | 1162 | 1149 | 55.26 ± 0.85 a | 17.29 ± 0.96 b | ND | ND |
Heptanal | MS, KI | 1186 | 1186 | 51.11 ± 0.18 a | 20.55 ± 0.65 b | ND | ND |
2-Hexenal | MS, KI | 1214 | 1207 | 101.18 ± 0.26 a | 32.46 ± 0.12 b | ND | 7.28 ± 0.37 c |
(Z)-4-Heptenal | MS, KI | 1244 | 1247 | 29.54 ± 0.70 | ND | ND | ND |
(E)-2-Heptenal | MS, KI | 1324 | 1318 | 24.33 ± 0.31 a | ND | ND | ND |
(E)-2-Octenal | MS, KI | 1432 | 1434 | 22.83 ± 0.49 a | ND | 6.80 ± 0.04 b | ND |
(E,E)-2,4-Heptadienal | MS, KI | 1495 | 1497 | 174.35 ± 6.61 a | 158.03 ± 3.00 b | 28.78 ± 0.55 d | 48.63 ± 1.52 c |
Benzaldehyde | MS, KI | 1528 | 1528 | 194.50 ± 10.69 a | 81.81 ± 0.24 b | 11.01 ± 0.31 c | 18.96 ± 1.69 c |
Aliphatic hydrocarbons | |||||||
Octane | MS, KI | 800 | 800 | 68.36 ± 3.37 a | 12.67 ± 0.50 b | 4.80 ± 0.11 c | ND |
2-Ethyl-1-hexene | MS, KI | 837 | 847 | 60.74 ± 3.41 a | 12.22 ± 0.32 b | 5.45 ± 0.38 c | ND |
2,2,6-Trimethyloctane | MS | 935 | 154.78 ± 4.50 a | 80.45 ± 0.17 b | 37.38 ± 0.92 c | ND | |
2,2,4,6,6-Pentamethylheptane | MS, KI | 959 | 957 | 857.19 ± 15.49 a | 647.06 ± 5.08 b | 321.92 ± 5.27 c | 8.07 ± 0.06 d |
3-Methylnonane | MS, KI | 966 | 965 | 58.53 ± 2.18 a | 16.88 ± 0.04 b | 5.46 ± 0.10 c | ND |
Decane | MS, KI | 999 | 1000 | 200.37 ± 1.59 a | 60.33 ± 0.43 b | 21.50 ± 0.07 c | ND |
2,3,6,7-Tetramethyloctane | MS | 1009 | 425.57 ± 6.09 a | 388.08 ± 0.87 b | 204.57 ± 0.84 c | ND | |
5-Ethyl-2,2,3-trimethylheptane | MS | 1031 | 387.76 ± 7.27 a | 289.75 ± 0.99 b | 158.50 ± 4.31 c | ND | |
2,2,7,7-Tetramethyloctane | MS | 1042 | 414.62 ± 5.55 a | 274.51 ± 5.57 b | 117.66 ± 0.12 c | ND | |
3-Methylundecane | MS | 1175 | 62.80 ± 3.71 a | 45.28 ± 1.63 b | 16.16 ± 0.46 c | ND | |
Dodecane | MS | 1199 | 75.18 ± 1.07 a | 65.48 ± 1.76 b | 27.26 ± 0.08 c | ND | |
3-Methylene-undecane | MS | 1240 | 40.55 ± 0.15 a | 31.45 ± 0.29 b | ND | ND | |
3-Methyltridecane | MS | 1370 | 24.35 ± 0.25 a | 20.48 ± 0.87 b | 11.94 ± 0.52 c | ND | |
(Z)-1,4-Hexadiene | MS | 1560 | 59.38 ± 0.89 a | 45.44 ± 0.21 b | 3.99 ± 0.22 d | 11.82 ± 0.15 c | |
Esters | |||||||
Ethyl hexanoate | MS, KI | 1239 | 1241 | 44.46 ± 1.73 a | 31.23 ± 0.12 b | ND | 1.96 ± 0.09 c |
Furans | |||||||
2-Methylfuran | MS, KI | 868 | 876 | 51.30 ± 0.26 a | 13.97 ± 0.11 b | 5.04 ± 0.51 c | ND |
2-Ethylfuran | MS, KI | 954 | 960 | 316.11 ± 3.12 a | 124.42 ± 0.69 b | 48.70 ± 0.32 c | 23.52 ± 2.05 d |
2-Pentylfuran | MS, KI | 1234 | 1235 | 1266.54 ± 32.31 a | 487.03 ± 0.65 b | 98.17 ± 0.44 c | 29.81 ± 1.25 d |
trans-2-(2-Pentenyl)furan | MS | 1300 | 33.72 ± 1.16 a | 20.27 ± 0.03 b | ND | ND | |
Ketones | |||||||
2-Heptanone | MS, KI | 1184 | 1185 | 25.74 ± 0.13 a | 10.68 ± 0.10 b | ND | ND |
Acetoin | MS, KI | 1283 | 1287 | 22.56 ± 0.80 a | 22.71 ± 2.19 a | ND | 12.63 ± 0.49 b |
2,2,6-Trimethylcyclohexanone | MS, KI | 1312 | 1307 | 50.79 ± 0.53 b | 53.09 ± 0.31 a | 11.66 ± 0.17 c | 3.39 ± 0.09 d |
6-Methyl-6-hepten-2-one | MS, KI | 1318 | 1320 | 72.19 ± 1.10 a | 37.42 ± 1.18 b | ND | 8.00 ± 0.15 c |
6-Methyl-5-heptene-2-one | MS, KI | 1340 | 1341 | 161.23 ± 1.83 a | 118.61 ± 0.30 b | 14.05 ± 0.41 c | 8.83 ± 0.10 d |
3,5-Octadien-2-one | MS, KI | 1524 | 1516 | 534.74 ± 0.51 a | 534.56 ± 15.23 a | 76.33 ± 0.10 c | 87.85 ± 3.52 b |
Ketoisophorone | MS, KI | 1704 | 1708 | ND | 30.05 ± 1.63 | ND | ND |
Nitro, Nitrate | |||||||
2-Nitropropane | MS | 1202 | 49.58 ± 1.11 a | 25.75 ± 0.07 b | ND | 11.16 ± 0.18 c | |
3-Methyl-1-butanol nitrate | MS | 1228 | 41.11 ± 0.78 a | 19.96 ± 0.12 b | ND | ND | |
1-Nitrobutane | MS, KI | 1291 | 1310 | 58.69 ± 0.02 a | 32.46 ± 1.16 b | 9.84 ± 1.11 c | 8.71 ± 0.30 d |
1-Nitrohexane | MS, KI | 1501 | 1502 | 108.95 ± 1.00 a | 90.19 ± 1.70 b | 15.65 ± 0.31 c | 15.74 ± 0.04 c |
Pyrazines | |||||||
Trimethylpyrazine | MS, KI | 1406 | 1413 | 24.13 ± 2.14 a | 22.86 ± 0.33 b | ND | ND |
Tetramethylpyrazine | MS, KI | 1481 | 1467 | 39.26 ± 2.87 a | 35.71 ± 2.23 b | 10.16 ± 0.17 c | ND |
Terpenes | |||||||
Caryophyllene | MS, KI | 1608 | 1598 | 81.57 ± 4.56 a | 30.15 ± 2.80 b | 17.69 ± 1.67 c | ND |
β-Cyclocitral | MS, KI | 1622 | 1600 | 304.70 ± 1.82 c | 311.87 ± 6.94 b | 106.14 ± 1.46 c | 1846.12 ± 56.83 a |
β-Selinene | MS, KI | 1738 | 1725 | ND | ND | 23.12 ± 0.45 | ND |
Geranylacetone | MS, KI | 1864 | 1865 | ND | 15.75 ± 0.55 a | 13.86 ± 0.62 b | ND |
α-Ionone | MS, KI | 1868 | 1857 | ND | ND | 0.05 ± 0.00 | ND |
trans-β-Ionone | MS, KI | 1961 | 1954 | 389.65 ± 1.50 c | 506.51 ± 24.73 a | 428.17 ± 24.52 b | 204.47 ± 24.73 d |
β-Ionone epoxide | MS, KI | 2015 | 2002 | 150.59 ± 7.95 a | 144.34 ± 6.67 b | 108.47 ± 2.14 c | ND |
All values are represented by the mean ± standard deviation (n = 3). KI, Kovats retention index; CWR/PDMS, carbon wide range/polydimethylsiloxane; DVB, divinylbenzene; PA, polyacrylate. a Identification method, MS: confirmed by matching the mass spectrum gained experimentally and mass spectrum in the Wiley and NIST libraries, KI: identified by comparing KI b and KI c. b KI calculated using n-alkanes for DB-WAX column. c KI reported from NIST available at http://webbook.nist.gov/chemistry/cas-ser.html for DB-WAX columns or equivalents. d Peak area values expressed by ×106. ND, not detected.