The Scientific World Journal / 2014 / Article / Tab 4 / Research Article
Chemical Characterization of Fruit Wine Made from Oblačinska Sour Cherry Table 4 Characterization of anthocyanins in wine samples using UHPLC + MS/MS Orbitrap. Target compounds, mean expected retention times (
), calculated mass, found mass, mean mass accuracy (ppm), and MS/MS fragments (+ stands for detected and ND for not detected compound).
Peak numbera Compound
, minCalculated M+ Found M+ ppm MS/MS fragments SCW W1 W2 W3 W4 W5 1 Delphinidin-3-rutinoside 4.77 611.1598 611.1598 0.0 303, 449 + ND ND ND ND ND 2 Delphinidin-3-glucoside 5.10 465.1023 465.1021 0.4 303 ND + + + + + 3 Cyanidin-3-sophoroside 5.12 611.1598 611.1597 0.2 287, 449 + ND ND ND ND ND 4 Cyanidin-3-glucosylrutinoside 5.15 757.2191 757.2170 2.8 287, 449, 611 + + ND ND ND + 5 Cyanidin-3-pentosylrutinoside 5.25 727.2072 727.2069 0.4 287, 449, 581 + ND ND ND ND ND 6 Cyanidin-3-glucoside 5.30 449.1074 449.1072 0.4 287 + + + + + + 7 Pelargonidin-3-glucosylrutinoside 5.31 741.2228 741.2225 0.4 271, 433, 579 + ND ND ND ND ND 8 Cyanidin-3-rutinoside 5.34 595.1653 595.1644 1.5 287, 449 + ND ND ND ND ND 9 Petunidin-3-glucoside 5.38 479.1180 479.1186 −1.3 317 ND + + + + + 10 Peonidin-3-glucoside 5.58 463.1231 463.1228 0.6 301 ND + + + + + 11 Peonidin-3-rutinoside 5.60 609.1810 609.1808 0.3 301, 463 + ND ND ND ND ND 12 Malvidin-3-glucoside 5.65 493.1336 493.1334 0.4 331 ND + + + + + 13 Delphinidin-3-acetylglucoside 5.71 507.1123 507.1125 −0.4 303 ND + + + + + 14 Cyanidin-3-acetylglucoside 5.93 491.1174 491.1174 0.0 287 ND + + + + + 15 Petunidin-3-acetylglucoside 5.99 521.1280 521.1281 −0.2 317 ND + + + + + 16 Cyanidin-3-pentoside 6.20 419.0968 419.0966 0.5 287 ND + + + + + 17 Peonidin-3-acetylglucoside 6.21 505.1331 505.1334 −0.6 301 ND + + + + + 18 Malvidin-3-acetylglucoside 6.24 535.1436 535.1437 −0.2 331 ND + + + + + 19 Pelargonidin-3-glucoside 6.31 433.1125 433.1125 0.0 271 + ND ND ND ND ND 20 Malvidin-3-caffeoylglucoside 6.39 655.1649 655.1643 0.9 331 ND ND ND ND + + 21 Petunidin-3-cis -p -coumaroylglucoside 6.43 625.1543 625.1547 −0.6 317 ND + + + + + 22 Malvidin-3-cis -p -coumaroylglucoside 6.68 639.1700 639.1696 0.6 331 ND + + + + + 23 Petunidin-3-trans -p -coumaroylglucoside 6.68 625.1543 625.1547 −0.6 317 ND + + + + + 24 Malvidin-3-trans -p -coumaroylglucoside 6.93 639.1700 639.1696 0.6 331 ND + + + + +
Peak numbers correspond to Figure 2 .
