Table 3.
compounda | Ib | I (lit.)c | ident.d | integrale |
ethyl 2-methylbutyrate (27) | 849 | 850 [41] | ms (911) | 0.3% |
ethyl 3-methylbutyrate (28) | 853 | 849 [27] | ms (915), ri | 0.3% |
3-methylbutyl acetate (29) | 879 | 869 [27] | ms (958), ri | 1.0% |
2-methylbutyl acetate (32) | 883 | 875 [27] | ms (955), ri | 1.4% |
ethyl pentanoate (35) | 908 | 901 [27] | ms (935), ri | 33.0% |
α-pinene (44) | 932 | 932 [27] | ms (929), ri | 1.0% |
oct-1-en-3-ol (1) | 979 | 974 [27] | ms (899), ri | 0.7% |
ethyl hexanoate (36) | 1000 | 997 [27] | ms (955), ri | 1.9% |
limonene (3) | 1024 | 1024 [27] | ms (857), ri | 0.2% |
isobutyl pentanoate (39) | 1052 | std | 0.9% | |
ethyl (Z)-hept-4-enoate (41) | 1092 | std | 0.4% | |
ethyl heptanoate (37) | 1096 | 1097 [27] | ms (961), ri | 11.4% |
3-methylbutyl pentanoate (30) | 1150 | 1152 [42] | std | 0.3% |
2-methylbutyl pentanoate (33) | 1153 | std | 0.1% | |
ethyl benzoate (42) | 1167 | 1169 [27] | ms (938), ri | 9.9% |
ethyl octanoate (38) | 1194 | 1196 [27] | ms (896), ri | 0.5% |
(8S*,9R*,10S*)-8,10-dimethyl-1-octalin (5) | 1221 | 1224 [28] | ms (868), ri | 0.3% |
(8S*,10R*)-8,10-dimethyl-1(9)-octalin (6) | 1231 | 1233 [28] | ms (850), ri | 0.1% |
ethyl phenylacetate (43) | 1242 | 1243 [27] | ms (867), ri | 0.2% |
isobutyl heptanoate (40) | 1246 | std | 0.4% | |
3-methylbutyl heptanoate (31) | 1343 | std | <0.1% | |
2-methylbutyl heptanoate (34) | 1347 | std | <0.1% | |
daucene (19) | 1378 | 1380 [27] | ms (851), ri | 0.2% |
geosmin (45) | 1395 | 1399 [27] | ms (895), ri | 0.4% |
trans-α-bergamotene (12) | 1434 | 1432 [27] | ms (964), ri | 13.5% |
β-bisabolene (10) | 1507 | 1505 [27] | ms (926), ri | 0.5% |
aUnidentified compounds and contaminants such as plasticisers are not listed. bRetention index on a HP5-MS GC column. cRetention index data from the literature. dCompound identification is based on matching mass spectrum to a library spectrum (ms, match factor given in brackets, identical mass spectra would produce a match factor of 1000), identical or closely matching retention index (ri), comparison to an authentic standard (std). ePercent of total peak area of the total ion chromatogram. The sum of integrals is lower than 100%, because unidentified compounds and contaminants are not included.