Table 1 List of mass peaks, chemical formulae, tentative identification of compounds and mean peak areas by oak source and toasting temperature.
measured mass | exact mass | error | mass accuracy | tentative identifiation | chemical formula | two-way ANOVA | peak areasa | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
(Da) | (Da) | (mDa) | (ppm) | Sb | Tb | SxTb | FO-175 | FO-200 | FO-225 | AO-175 | AO-200 | AO-225 | ||
97.031 | 97.0284 | 2.8 | 28 | furfural | C5H4O2+ | n.s. | *** | n.s | 3.7E + 02 ± 2.5E + 02b | 2.5E + 03 ± 8.9E + 02b | 2.0E + 04 ± 3.9E + 03a | 4.3E + 02 ± 2.0E + 02b | 3.2E + 03 ± 1.7E + 03b | 2.5E + 04 ± 1.7E + 04a |
111.048 | 111.0441 | 3.6 | 33 | 5-methylfurfural | C6H6O2+ | n.s. | *** | n.s. | 2.5E + 01 ± 2.7E + 01b | 2.8E + 02 ± 2.4E + 02b | 2.9E + 03 ± 2.6E + 03a | 2.1E + 01 ± 1.3E + 01b | 2.5E + 02 ± 2.2E + 02b | 2.7E + 03 ± 2.6E + 03a |
125.064 | 125.0597 | 4.6 | 36 | guaiacol | C7H8O2+ | * | *** | ** | 6.1E-01 ± 5.2E-01c | 6.5E + 00 ± 3.6E + 00c | 6.8E + 01 ± 2.8E + 01b | 1.3E + 00 ± 5.4E-01c | 8.6E + 00 ± 5.1E + 00c | 9.9E + 01 ± 4.6E + 01a |
127.041 | 127.0390 | 2.3 | 18 | 5-hydroxymethylfurfural/maltol | C6H6O3+ | *** | *** | *** | 6.4E + 00 ± 5.5E + 01d | 5.5E + 01 ± 1.5E + 01cd | 4.1E + 02 ± 1.2E + 02b | 8.4E + 00 ± 4.7E + 00d | 8.2E + 01 ± 3.3E + 01c | 6.3E + 02 ± 8.9E + 01a |
153.056 | 153.0546 | 1.2 | 8 | vanillin | C8H8O3+ | * | *** | * | 2.7E + 00 ± 2.3E + 00c | 3.3E + 01 ± 2.7E + 01c | 3.5E + 02 ± 1.6E + 02b | 4.8E + 00 ± 1.9E + 00c | 5.7E + 01 ± 4.7E + 01c | 6.9E + 02 ± 5.4E + 02a |
157.122 | 157.1223 | 0.2 | 1 | oak lactone | C9H16O2+ | *** | *** | *** | 6.7E + 00 ± 4.5E + 00c | 1.9E + 01 ± 8.6E + 00bc | 7.9E + 01 ± 3.2E + 01b | 1.8E + 01 ± 1.2E + 01bc | 5.1E + 01 ± 2.0E + 01bc | 2.2E + 02 ± 1.3E + 02a |
165.092 | 165.0910 | 1.1 | 7 | eugenol | C10H12O2+ | *** | *** | *** | 4.7E-01 ± 4.6E-01c | 3.2E + 00 ± 2.2E + 00c | 5.1E + 01 ± 1.8E + 01b | 1.1E + 00 ± 7.3E-01c | 9.7E + 00 ± 6.5E + 00c | 1.2E + 02 ± 8.3E + 01a |