Figure 6. Structure validation of m/z 1121 by MS³ product ion scans.

Both MS² fragments m/z 535 and 873 result in the core cyanidin structure by undergoing MS³ fragmentation. m/z 1077, the putatively decarboxylized form of 1121, yields m/z 491, as observed in the MS² spectrum already, by scission of the 3-O-glycosidic bond. Fragment m/z 873 arises again from the breaking of the glycosidic bond at 5-O. m/z 1017 would comply with the complete removal of the rest of the former malonyl group together with a water loss (−60 u). A putative structure is given.