Experimental and theoretical study of gas-phase H/D exchange reactions on protonated mitorubrin azaphilones / derivates a in collision cell of triple quadrupole

摘要

During this work, the nitrogen derivates of mitorubrin azaphilones have been isolated and thus analyzed more accurately. Used methods were LC/MS, MS/MS, gas phase HDX and theoretical calculations. H/D exchanges are a good approach to confirm the presence on azote in these compounds. DFT calculations show the possible sites of protonation, and suggest the mechanism of H/D exchange reaction on the orselinic acid part of analyzed azaphilones. The mechanism of H/D exchange at the byciclyc azaphilone skeleton has still to be investigated through theoretical calculations and complementary gas phase experiments on model system.