Table 3.
Compound | [M + H]+ m/z |
MS2 m/z |
BB | B | C | E | R | S |
---|---|---|---|---|---|---|---|---|
Cy-gal | 449 | 287 | 4.11 ± 0.32 | 1.11 ± 0.08 | 0.65 ± 0.05 | - | - | 0.32 ± 0.03 |
Cy-glc | 449 | 287 | LOQ | 30.26 ± 2.89 | 0.29 ± 0.02 | 6.19 ± 0.57 | 3.29 ± 0.28 | 0.30 ± 0.03 |
Cy-ara | 419 | 287 | - | - | 1.19 ± 0.09 | - | - | - |
Cy-xyl | 419 | 287 | - | 1.34 ± 0.09 | - | - | - | - |
Cy-rut | 595 | 287 | - | LOQ | - | - | LOQ | - |
Cy-soph | 611 | 287 | - | - | - | - | 14.98 ± 1.32 | - |
Cy-3(2glc) rut | 757 | 287 | - | - | - | - | 1.53 ± 0.11 | - |
Cy-3mal-glc | 535 | 287 | - | 1.32 ± 0.12 | - | - | - | - |
Cy-6mal-glc | 535 | 287 | - | 13.19 ± 1.09 | - | - | - | - |
Cy-sam | 579 | 537, 357 | - | - | - | 46.51 ± 4.34 | - | - |
Cy-sam-5-glc | 744 | 287 | - | - | - | 23.07 ± 2.02 | - | - |
Cy-dioxalyl glc * | 593/594 | 581, 287 | - | 6.50 ± 0.56 | - | - | - | - |
∑ Cy-deriv | 4.11 | 53.73 | 2.13 | 75.77 | 19.81 | 0.62 | ||
Dp-gal | 465 | 303 | 5.02 ± 0.42 | - | - | - | - | - |
Dp-glc | 465 | 303 | 0.81 ± 0.06 | - | - | - | - | - |
Dp-ara | 435 | 303 | 0.63 ± 0.05 | - | - | - | - | - |
∑ Dp-der | 6.46 | - | - | - | - | - | ||
Mv-gal | 493 | 331 | 1.01 ± 0.09 | - | - | - | - | - |
Mv-glc | 493 | 331 | 8.81 ± 0.78 | - | - | - | - | - |
Mv-ara | 463 | 331 | 1.02 ± 0.09 | - | - | - | - | - |
∑ Mv deriv | 10.84 | - | - | - | - | - | ||
Pg-glc | 433 | 271 | - | 1.20 ± 0.09 | - | - | - | 1.29 ± 0.09 |
Pg-rut | 579 | 433, 271 | - | - | - | - | - | 0.67 ± 0.06 |
Pg-3-acetyl-glc | 475 | 271 | - | - | - | - | - | 0.49 ± 0.04 |
Pg-3mal-glc | 519 | 271 | - | - | - | - | - | 0.35 ± 0.02 |
Pg-3,5diglc | 595 | 433, 271 | - | - | - | - | - | 0.24 ± 0.02 |
Pg-3glc-rut | 742/739 | - | - | - | - | 0.42 ± 0.03 | - | |
E-(4,8)-Pg-glc | 721 | 559 | - | - | - | - | - | 0.25 ± 0.02 |
(epi)afzelechin-Pg-glc | 705 | 543, 407, 313 | - | - | - | - | - | 0.25 ± 0.02 |
CP Pg-glc | 501 | 339 | - | - | - | - | - | 0.24 ± 0.02 |
∑Pg deriv | - | 1.2 | - | - | 0.42 | 4.05 | ||
Pn-gal | 463 | 301 | 0.65 ± 0.05 | - | 0.71 ± 0.06 | - | - | - |
Pn-glc | 463 | 301 | 0.75 ± 0.06 | 0.82 ± 0.07 | LOQ | - | - | - |
Pn-ara | 433 | 301 | - | - | 0.63 ± 0.05 | - | - | - |
∑ Pn deriv | 1.40 | 0.82 | 1.34 | - | - | - | ||
Pt-gal | 479 | 317 | 0.49 ± 0.03 | - | - | - | - | - |
Pt-glc | 479 | 317 | 8.72 ± 0.72 | - | - | - | - | - |
Pt-ara | 449 | 317 | 1.29 ± 0.09 | - | - | - | - | - |
∑ Pt deriv | 10.50 | - | - | - | - | - | ||
ni | 641 | 623, 505, 477, 605, 337 | - | - | - | 0.56 ± 0.04 | - | - |
total ** | 37.03 | 56.37 | 3.47 | 76.33 | 22.32 | 6.09 |
* or cyanidin 3-O-β-(6″-(3-hydroxy-3-methylglutaroyl)glucoside); ** of all peaks with max about 520 nm; Cy—cyanidin; Dp—delphinidin; Mv—malvidin; Pg—pelargonidin; Pn—peonidin; Pt—petunidin; gal—galactoside; glc—glucoside; ara—arabinoside, xyl—xyloside, rut—rutinoside, soph—sophoroside; sam—sambubioside; mal—malonyl, E—epicatechin; BB—bilberry wine; B—blackberry wine; C—cranberry wine; E—elderberry wine; R—raspberry wine; S—strawberry wine; LOQ—under limit of quantitation.