Table 1.
Compound | I | I (Lit.) | Identificationa | Peak areab |
4-methylhexan-3-one (6) | 845 | 842 [34] | ms, ri | 2.0% |
oct-1-en-3-ol (1) | 981 | 974 [18] | ms, ri, std | 0.4% |
octan-3-one (7) | 988 | 979 [18] | ms, ri, std | 0.4% |
1-phenylethanol (8) | 1060 | 1057 [18] | ms, ri, std | 0.2% |
6-methyl-5,6-dihydro-2H-pyran-2-one (9) | 1072 | – | syn | 0.9% |
manicone (10) | 1136 | – | ms, syn | 0.4% |
(4R,5R,6S)-5-hydroxy-4,6-dimethyloctan-3-one (11a) | 1228 | – | syn | 35.2% |
2-methyl-4-chromanone (12) | 1366 | – | ms | 0.2% |
5-hydroxy-2-methyl-4-chromanone (13) | 1467 | – | ms | 2.0% |
1,3-dichloro-2,4-dimethoxybenzene (14) | 1480 | 1487 [18] | ms, ri, std | 0.03% |
1,2,4-trichloro-3-methoxybenzene (15) | 1504 | – | ms, std | 0.1% |
pogostol (16) | 1653 | 1651 [18] | ms, ri | 0.3% |
6-nonyl-2H-pyran-2-one (17) | 1875 | – | syn | 9.7% |
aIdentification based on ms: identical mass spectrum, ri: identical retention index (standardised GC retention based on comparison to n-alkanes; for CnH2n+2 the retention index is defined as I = 100·n), std: comparison to a commercially available standard compound, syn: comparison to a synthetic standard. bPeak area in % of total peak area. The sum is less than 100%, because compounds originating from the medium, unidentified compounds and contaminants such as plasticisers are not mentioned.