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. 2020 Jun 13;9(6):785. doi: 10.3390/foods9060785

Table 1.

Volatile compounds from freeze-dried Cirsium setidens Nakai analyzed using different types of solid-phase microextraction Arrows.

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.