Table 1.
Compound | LRIa on DB-5ms | LRIa on VF-WAXms | Amountb | Percentage |
---|---|---|---|---|
Sulphur compounds | ||||
Dimethyl disulphide | 742 | 1080 | 3959 | 1.99 |
Isobutyl isothiocyanate | 929 | 1322 | 610 | 0.31 |
Dimethyl trisulphide | 969 | 1388 | 21,163 | 10.66 |
3-Butenyl isothiocyanate | 973 | 1462 | 85,532 | 43.10 |
Methyl methylthiomethyl disulphide | 1135 | 1665 | 520 | 0.26 |
All | 111,784 | 56.33 | ||
Nitriles | ||||
4-Pentenenitrile | 745 | 1279 | 5254 | 2.65 |
Heptanenitrile | 991 | 1408 | 120 | 0.06 |
All | 5374 | 2.71 | ||
Aldehydes | ||||
(E)-2-Pentenal | 758 | 1131 | 387 | 0.19 |
Heptanal | 904 | 1186 | 776 | 0.39 |
(E)-2-Heptenal | 958 | 1329 | 571 | 0.29 |
Octanal | 1004 | 1290 | 1116 | 0.56 |
(E)-2-Octenal | 1058 | 1433 | 140 | 0.07 |
Nonanal | 1105 | 1396 | 4201 | 2.12 |
Decanal | 1207 | 1501 | 7448 | 3.75 |
Undecanal | 1307 | 1606 | 240 | 0.12 |
Dodecanal | 1408 | 1711 | 1174 | 0.59 |
Tridecanal | 1510 | 1817 | 559 | 0.28 |
Tetradecanal | 1610 | 1922 | 1058 | 0.53 |
β-Cyclocitral | 1220 | 1624 | 1388 | 0.70 |
Safranal | 1200 | 1649 | 1071 | 0.54 |
All | 20,128 | 10.14 | ||
Ketones | ||||
6-Methyl-5-hepten-2-one | 985 | 1340 | 249 | 0.13 |
All | 249 | 0.13 | ||
Alcohols | ||||
1-Hexanol | 870 | 1347 | 188 | 0.09 |
1-Octen-3-ol | 980 | 1448 | 233 | 0.12 |
2-Ethyl-1-hexanol | 1028 | 1489 | 484 | 0.24 |
(Z)-2-Octen-1-ol | 1060 | 1620 | 356 | 0.18 |
(E)-2-Octen-1-ol | 1068 | 1616 | 101 | 0.05 |
1-Octanol | 1071 | 1557 | 171 | 0.09 |
1-Nonanol | 1173 | 1659 | 363 | 0.18 |
Dodecanol | 1475 | 1966 | 15,106 | 7.61 |
Tetradecanol | 1576 | 2171 | 5164 | 2.6 |
All | 22,165 | 11.17 | ||
Acids | ||||
Butanoic acid | 779 | 1636 | 5276 | 2.66 |
Hexanoic acid | 978 | 1851 | 7856 | 3.96 |
Octanoic acid | 1171 | 2064 | 3707 | 1.87 |
Hexadecanoic acid | 1960 | 3000 | 2426 | 1.22 |
All | 19,264 | 9.71 | ||
Esters | ||||
3-Methyl-1-butyl acetate | 876 | 1121 | 829 | 0.42 |
Hexyl acetate | 1011 | 1270 | 3001 | 1.51 |
1-Methylbutyl butanoate | 1015 | 1208 | 509 | 0.26 |
Butyl hexanoate | 1185 | 1412 | 664 | 0.33 |
Hexyl butanoate | 1194 | 1415 | 228 | 0.11 |
Methyl hexadecanoate | 1926 | 2216 | 3268 | 1.65 |
All | 8498 | 4.28 | ||
Terpenes | ||||
Limonene | 1029 | 1193 | 4363 | 2.20 |
(Z)-Calamenene | 1531 | 1835 | 1335 | 0.67 |
Guaiol | 1597 | 2087 | 2333 | 1.18 |
Bulnesol | 1667 | 2208 | 2391 | 1.20 |
All | 10,423 | 5.25 |
aLinear retention indexes calculated according to the Van Den Dool and Kratz equation.
bPeak area arbitrary scale.