Table 4.
[M − H]− m/z |
MS2 m/z |
BB | B | C | E | R | S | |
---|---|---|---|---|---|---|---|---|
malonylo-CQA | 439, 396 | 395, 219, 173, 295, 289 | - | - | - | - | - | 0.74 ± 0.05 |
neoChA | 353 | 191, 179 | - | 6.42 ± 0.56 | - | 24.99 ± 2.08 | - | - |
CAH | 341 | 197, 135, 161, 179 | 10.97 ± 0.93 | LOQ | 10.89 ± 0.87 | 9.98 ± 0.78 | 4.41 ± 0.37 | - |
pCoH | 325 | 163, 145, 187, 265 | - | 54.35 * ± 4.89 | - | - | 12.35 * ± 0.96 | 6.31 ± 0.54 |
ChA | 353 | 191, 179 | LOQ | 2.01 ± 0.17 | 5.59 ± 0.45 | coeluted | - | - |
CA | 179 | 135 | 44.10 ± 3.99 | 8.67 ± 0.78 | 60.04 ± 5.33 | 15.32 ± 1.03 | ||
FA | 193 | 134 | - | - | - | - | - | LOQ |
p-CoA | 163 | 119 | 14.77 ± 1.23 | - | - | 13.44 ± 1.02 | - | 4.60 ± 0.34 |
pCo der | 411 | 2.27 ± 0.19 | - | - | - | - | - | |
pCo der | 525 | - | - | - | 19.86 ± 1.88 | - | - | |
5-hydroxy F hex |
371 | 281, 251, 221, 209 | - | - | - | - | - | 1.78 ± 0.16 |
ni | 207 | - | - | - | 16.20 ± 1.52 | - | - | |
total | 73.48 | 63.95 | 37.06 | 150.79 | 32.18 | 13.43 |
- not identified in this wine; malonylo-CQA-malonylo-caffeoylquinic acid; neoChA-neochlorogenic acid; CAH—caffeic acid hexoside; ChA—chlorogenic acid; pCoH—p-coumaroylhexoside; CA—caffeic acid; FA—ferulic acid; pCoA—p-coumaric acid; pCoA der—p-coumaric acid derivative; 5-hydroxyFhex—5-hydroxyferuloyl hexose; tr—traces; BB—bilberry wine; B—blackberry wine; C—cranberry wine; E—elderberry wine; R—raspberry wine; S—strawberry wine; LOQ—under limit of quantitation; *—two peaks.