Validation parameters: limit of detection (LOD), limit of quantitation (LOQ), sensitivity in standard solution (SS), sensitivity in spiked Pinot gris (SPG).
| Analyte | LOD (mg/L) | LOQ (mg/L) | Standard solution calibration line | R2 | Linear range (mg/L) | SS (counts/mg/L) | SPG (counts/mg/L) | Validation range (mg/L) |
|---|---|---|---|---|---|---|---|---|
| aInternal standard. | ||||||||
| bAnalyte removed from the analysis. | ||||||||
| Acetaldehyde | 17.70 | 53.10 | y = 118.5x − 85.13 | 0.9875 | nd – 106.1 | 118.0 | 78.00 | 53.10–106.1 |
| Ethyl acetate | 0.3347 | 1.521 | y = 3249x + 2045 | 0.9941 | nd – 83.67 | 3249 | 2655 | 1.521–83.67 |
| Ethyl isobutyrate | 0.1308 | >0.2616 | NAb | NAb | NAb | NAb | NAb | NAb |
| Ethyl butyrate | 0.01423 | 0.05693 | y = 58370x + 995.2 | 0.9863 | nd – 0.5123 | 58370 | 82040 | 0.05693–0.5123 |
| Ethyl isovalerate | 0.00056 | 0.0041 | y = 1.3E6x + 336.6 | 0.9921 | nd – 0.037 | 1.3E6 | 1.1E6 | 0.0041–0.037 |
| Isobutanol | 0.311345 | 2.28320 | y = 3394.70x − 85.6000 | 0.9645 | 3.42480 – 10.2744 | 3395.00 | 2940.00 | 2.28320–10.2744 |
| Isoamyl acetate | 0.0067073 | 0.030488 | y = 189360x + 1729.5 | 0.9904 | nd – 0.83842 | 189400 | 154020 | 0.030488–0.83842 |
| 4-Methyl-2-pentanola | 0.159288 | 0.289615 | y = 13693.0x + 664.380 | 0.9883 | nd – 9.55730 | 13690.0 | 9493.00 | 0.289615–9.55730 |
| 3-Methyl-1-butanol | 0.1658 | 0.6630 | y = 8138x + 1407 | 0.9818 | nd – 132.6 | 8138 | 7251 | 0.6630–132.6 |
| Ethyl hexanoate | 0.0030505 | 0.0061010 | y = 594420x + 5950.7 | 0.9692 | nd – 1.2202 | 594400 | 420800 | 0.0061010–1.2202 |
| Hexyl acetate | 0.001762 | 0.009690 | y = 457400 x + 48.02 | 0.9830 | nd – 0.02908 | 457400 | 543500 | 0.009690–0.02908 |
| 1,6-Heptadien-4-ola | 0.0323048 | 0.161524 | y = 26789.0x + 4459.10 | 0.9822 | nd – 9.69145 | 26790.0 | 8578.00 | 0.161524–9.69145 |
| Ethyl lactate | 1.735 | 9.542 | y = 825.4x − 1798 | 0.9686 | nd – 57.25 | 825.0 | 427.0 | 9.542–57.25 |
| Hexanol | 0.033515 | 0.18433 | y = 33452x + 876.29 | 0.9480 | nd – 1.8433 | 33450. | 26970. | 0.18433–1.8433 |
| 4-Hydroxy-4-methyl-2-pentanonea | 2.814 | 16.88 | y = 829.2x − 1376 | 0.9754 | nd – 50.65 | 829.0 | 731.0 | 16.88–50.65 |
| Ethyl octanoate | <0.0008546 | 0.0008546 | y = 1505000x + 5517 | 0.9960 | nd – 2.564 | 1505000 | 530500 | 0.0008546–2.564 |
| Linalool oxide | 0.054177 | 0.098546 | y = 19408x + 1937.4 | 0.9786 | nd – 3.2506 | 19410. | 16680. | 0.098546–3.2506 |
| Ethyl nonanoatea | 0.000933856 | 0.00466928 | y = 1128640x + 43303.10 | 0.9910 | nd – 2.80157 | 1129000 | −345010. | 0.00466928–2.80157 |
| Ethyl decanoate | 0.00621406 | 0.186422 | y = 752760.x − 6041.90 | 0.9840 | nd – 3.72843 | 752800. | 54350.0 | 0.186422–3.72843 |
| Diethyl succinate | 0.014924 | 0.067836 | y = 55111x + 893.50 | 0.9841 | nd – 1.8655 | 55110. | 41040. | 0.067836–1.8655 |
| 2-Phenethyl acetate | 0.003612 | 0.01987 | y = 2522x − 459.8 | 0.9914 | nd – 0.1589 | 252200 | 186400 | 0.01987–0.1589 |
| 2-Phenethyl alcohol | 0.008911 | 0.2228 | y = 10880x − 1527 | 0.9984 | nd – 53.47 | 10880 | 8827 | 0.2228–53.47 |