Table 2.
Compounds | LRIa on DB-5ms | LRIa on VF-WAXms | Amountb | Percentage |
---|---|---|---|---|
Sulphur compounds | ||||
Dimethyl disulphide | 742 | 1080 | 32,307 | 18.96 |
Isobutyl isothiocyanate | 929 | 1322 | 137 | 0.08 |
Dimethyl trisulphide | 969 | 1388 | 63,208 | 36.62 |
3-Butenyl isothiocyanate | 973 | 1462 | 995 | 0.57 |
Dimethyl tetrasulfide | 1216 | 1750 | 14,244 | 8.16 |
All | 112,673 | 64.40 | ||
Nitriles | ||||
3-Methyl-3-butenenitrile | 759 | – | 28,026 | 16.06 |
Benzyl nitrile | 1136 | 1893 | 1442 | 0.83 |
Benzenepropanenitrile | 1237 | 2041 | 119 | 0.07 |
1H-Indole-3-acetonitrile | 1807 | – | 1028 | 0.59 |
All | 30,495 | 17.54 | ||
Aldehydes | ||||
Hexanal | 803 | 1085 | 683 | 0.39 |
Heptanal | 904 | 1186 | 110 | 0.06 |
(E)-2-Heptenal | 958 | 1329 | 299 | 0.17 |
Benzaldehyde | 962 | 1530 | 231 | 0.13 |
(E.E)-2.4-Heptadienal | 1000 | 1508 | 92 | 0.05 |
Octanal | 1004 | 1290 | 400 | 0.23 |
Phenylacetaldehyde | 1044 | 1645 | 336 | 0.19 |
Nonanal | 1105 | 1396 | 1150 | 0.66 |
Decanal | 1207 | 1501 | 356 | 0.20 |
All | 3657 | 2.10 | ||
Ketones | ||||
1-Penten-3-one | 721 | 1020 | 3405 | 1.95 |
6-Methyl-5-hepten-2-one | 985 | 1340 | 251 | 0.14 |
6-Methyl-3.5-heptadien-2-one | 1096 | 1582 | 532 | 0.30 |
6.4.10-Trimethyl-2-pentadecanone (hexahydrofarnesyl acetone) | 1844 | 2119 | 2302 | 1.32 |
All | 6490 | 3.72 | ||
Alcohols | ||||
1-Octen-3-ol | 980 | 1448 | 1871 | 1.07 |
(E)- 2-Octen-1-ol | 1068 | 1616 | 867 | 0.50 |
1-Octanol | 1071 | 1557 | 1945 | 1.11 |
1-Nonanol | 1173 | 1659 | 98 | 0.06 |
All | 4781 | 2.74 | ||
Acids | ||||
3-Methylbutanoic acid | 834 | 1681 | 417 | 0.24 |
2-Methylbutanoic acid | 845 | 1687 | 874 | 0.50 |
(Z)-3-Hexenoic acid | 992 | 1940 | 80 | 0.05 |
2-Methyl-4-pentenoic acid | 996 | – | 315 | 0.18 |
2-Ethylhexanoic acid | 1115 | 1129 | 165 | 0.09 |
Octanoic acid | 1171 | 2064 | 665 | 0.38 |
Nonanoic acid | 1268 | 2165 | 836 | 0.48 |
Decanoic acid | 1365 | 2267 | 386 | 0.22 |
All | 3738 | 2.14 | ||
Esters | ||||
3-Methyl-1-butyl acetate | 876 | 1121 | 290 | 0.17 |
Pentyl 2-methylpropanoate | 1056 | 1243 | 254 | 0.15 |
Phenyl acetate | 1064 | 1660 | 86 | 0.05 |
Methyl octanoate | 1127 | 1411 | 1162 | 0.67 |
Carveyl acetate | 1314 | 2071 | 150 | 0.09 |
Octyl 2-methylpropanoate | 1347 | 1547 | 89 | 0.05 |
Benzyl 3-methylbutanoate | 1392 | 1852 | 121 | 0.07 |
1-Methylethyl decanoate | 1428 | 1615 | 409 | 0.23 |
1-Octen-3-yl hexanoate | 1507 | – | 328 | 0.19 |
1-Methylethyl tetradecanoate | 1826 | 2017 | 57 | 0.03 |
Methyl hexadecanoate | 1926 | 2216 | 1563 | 0.90 |
Methyl linoleate | 2095 | 2480 | 76 | 0.04 |
Methyl linolenate | 2101 | 2503 | 357 | 0.20 |
All | 4790 | 2.83 | ||
Terpenes | ||||
α-Pinene | 933 | 1025 | 149 | 0.09 |
β-Pinene | 978 | 1108 | 333 | 0.19 |
p-Cymene | 1025 | 1270 | 600 | 0.34 |
Limonene | 1029 | 1193 | 3632 | 2.20 |
Eucalyptol | 1033 | 1206 | 715 | 0.41 |
α-Isophorone | 1124 | 1621 | 805 | 0.46 |
Safranal | 1200 | 1639 | 451 | 0.26 |
β-Cyclocitral | 1220 | 1623 | 530 | 0.30 |
Citronellol | 1232 | 1757 | 68 | 0.04 |
Carvacrol | 1299 | 2225 | 110 | 0.06 |
Orivone | 1354 | – | 133 | 0.08 |
All | 7740 | 4.43 | ||
Hydrocarbons | ||||
Heptadecane | 1700 | 1700 | 59 | 0.03 |
Octadecane | 1800 | 1800 | 40 | 0.02 |
1-Eicosene | 1994 | 2051 | 69 | 0.04 |
All | 168 | 0.10 |
*Linear retention indexes calculated according to the Van Den Dool and Kratz equation.
bPeak area arbitrary scale.