Table 2 List of differentially abundant compounds in sweet cherries obtained by UHPLC-DAD-HR-MS/MS in negative ESI mode. The details of the compounds are given, together with the specification of the reliability class and references used for the detection
Putative identification | Rt (min) | Formula | Theoretical m/z | Observed m/z | Mass error (ppm) | Main MS2 fragments | MSI reliability class with references used for the annotation |
|---|---|---|---|---|---|---|---|
A-type flavanol dimer I | 13.85 | C30H24O12 | 575.1195 | 575.1176 | −3.28 | 125.0249–163.0017–255.0300 | |
B-type flavanol trimer Ia | 13.93 | C45H38O18 | 865.1985 | 865.1976 | −1.07 | 125.0231–161.0243–407.0770 | |
Coumaroyl quinic acid | 15.99 | C16H18O8 | 337.0929 | 337.0928 | −0.16 | 173.0462–93.0341–119.0494 | |
(epi)afzelechin–(epi)catechin | 17.63 | C30H26O11 | 561.1402 | 561.1381 | −3.81 | 289.0733–245.0821–203.0747 | |
A-type flavanol trimer I | 19.01 | C45H36O18 | 863.1829 | 863.1813 | −1.79 | 285.0370–125.0265–161.0259 | 3112 |
B-type flavanol trimer II | 19.01 | C45H38O18 | 865.1985 | 865.1988 | 0.35 | 125.0244–407.0797–161.0239 | 3112 |
B-type flavanol tetramera | 19.63 | C60H50O24 | 1153.2619 | 1153.2570 | −4.27 | 125.0279–243.0303–161.0254 | 3112 |
A-type flavanol trimer II | 19.63 | C45H36O18 | 863.1829 | 863.1810 | −2.16 | 125.0230–161.0276–243.0317 | 3112 |
B-type flavanol pentamer | 19.93 | C75H62O30 | 1441.3253 | 1441.3218 | −2.44 | 125.0219–243.0327–287.0709 | 3112 |
Trihydroxyflavanone | 20.78 | C15H12O5 | 271.0612 | 271.0605 | −2.58 | 153.0167 | 2 |
B-type flavanol dimer | 21.50 | C30H26O12 | 577.1352 | 577.1342 | −1.61 | 125.0237–289.0737–161.0258 | |
A-type flavanol dimer II | 21.50 | C30H24O12 | 575.1195 | 575.1179 | −2.79 | 125.0224–161.0292–177.0172 | 3108 |
Deoxyhexosyl cinchonain | 24.53 | C30H30O13 | 597.1614 | 597.1587 | −4.43 | 341.0686–189.0171–217.0126 | 3110 |
Dihydroxyflavanone hexoside | 25.72 | C21H22O10 | 433.1140 | 433.1125 | −3.40 | 271.0612–243.0652 | 2107 |
