Table 1.
Compounds | Molecular Mass (Da) | Target Ion (m/z) | Signal variation (%CV#, n = 4) | Hydrophobicity (Log P##) | Volatility (VP##, 25 °C, mm Hg) | Air-water partitioning coefficient (Kaw##) |
---|---|---|---|---|---|---|
3-Methylbutanal | 86 | 87 | 3% | 1.23 | 51.60 | 6.49E−03 |
1-Octen-3-ol | 128 | 111 | 4% | 2.73 | 0.24 | 9.45E−04 |
Linalool | 154 | 137 | 7% | 3.38 | 0.08 | 1.73E−03 |
Capsaicin | 305 | NA | NA | 4.0 | 1.32E −08 | 4.23E −12 |
CV% = 100 × Standard Deviation/Mean.
The value of Log P, vapour pressure (VP) and Kaw were estimated by EPI Suite™ v.4.1 software, U.S. Environmental Protection Agency.