The Scientific World Journal / 2014 / Article / Tab 3 / Research Article
Chemical Characterization of Fruit Wine Made from Oblačinska Sour Cherry Table 3 Characterization of phenolic compounds 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).
Compound
, minCalculated
M–H
Found
M–H
ppm MS/MS fragments SCW W1 W2 W3 W4 W5 Caffeoylquinic acid isomer 1 2.52 353.0867 353.0855 3.4 179, 191 + ND ND ND ND ND trans -Caftaric acid2.54 311.0407 311.0393 4.5 135, 149, 179 ND + + + + + Quercetin-3-O -hexoside 1 2.56 463.0882 463.0859 5.0 179, 301 + ND ND ND ND ND Quercetin-3-O -hexoside 2 2.99 463.0882 463.0860 4.8 179, 301 + ND ND ND ND ND Procyanidin B type isomer 1 3.14 577.1351 577.1325 4.5 425 + + + + + + Caffeoyl-hexoside 1 3.52 341.0874 341.0869 1.5 179, 135 + ND ND ND ND ND Caffeoyl-hexoside 2 3.60 341.0874 341.0874 0.0 179, 135 + ND ND ND ND ND Caffeoylquinic acid isomer 2 3.61 353.0867 353.0856 3.1 179, 191 + ND ND ND ND ND Coumaroyl-hexoside 1 3.64 325.0929 325.0913 4.9 163 ND + ND + + + Procyanidin B type isomer 2 3.69 577.1351 577.1325 4.5 425 + + + + + + Coumaroyl-hexoside 2 3.72 325.0929 325.0919 3.1 163 ND + + + + + Coumaroyl-hexoside 3 3.89 325.0929 325.0913 4.9 163 ND + + + + + Dihydroquercetin-3-O -rhamnoside 3.97 449.1074 449.1064 2.2 303 ND + + + + + Procyanidin B type isomer 3 4.09 577.1351 577.1325 4.5 425 ND + + + + + Myricetin-3-O -hexoside 4.14 479.0831 479.0810 4.4 317 ND + + + + + Dihydromyricetin-3-O -rhamnoside 4.22 465.1023 465.1015 1.7 319 ND + + + + ND Syringic acid 4.44 197.0455 197.0447 4.1 153 + + + + + + Cinnamic acid 4.56 147.0452 147.0448 2.7 103 ND ND + + + ND Luteolina 5.55 285.0405 285.0393 4.2 133, 213 ND + + + + + Chrysina 7.22 253.0506 253.0497 3.6 151, 181 + + + + + ND Pinocembrina 7.34 255.0663 255.0651 4.7 213 + + ND ND + + Galangina 7.34 269.0455 269.0443 4.5 183, 197 ND + + + + ND
Confirmed using available standards.