2C-O1-1020 PDF
Structure elucidation of acylamino acid bunodosines from the Brazilian sea anemone using analyses of congeners by tandem mass spectrometry
Accurate mass analyses and tandem mass spectrometry were applied to the structure elucidation of acylamino acid bunodosines 391 and 405 isolated from the venom of the Brazilian sea anemone Bunodosoma cangicum. Lower detection limit of mass analyses is advantageous over other characterization techniques; however the difficulties of structure discrimination with fragment ions limit the potential merely as a means of obtaining molecular mass or molecular formula. Commercially available and synthetic congeners that were candidate for the substructure of bunodosines were used for exploring the specific fragmentation on the substitution pattern of functional groups. Although structural rearrangement during MS/MS disturbed straightforward characterization by MS/MS, tandem mass spectrometry including ion mobility analysis was informative in the structure elucidation of bunodosines.