Differentiation of aminomethyl corrole isomers by mass spectrometry

作者：Ramos Catarina I V; Graca Santana Marques M; Ferrer Correia A J; Barata Joana F B; Tome Augusto C; Neves M Graca P M S; Cavaleiro J A S; Abreu Paulo E; Pereira Mariette M; Pais Alberto A C C

来源：Journal of Mass Spectrometry, 2012, 47(4): 516-522.

DOI：10.1002/jms.2973

• aminomethyl corrole derivatives
• mass spectrometry
• isomer differentiation
• water adducts
• fused ring structures

Two new isomeric aminomethyl corrole derivatives of [5,10,15-tris(pentafluorophenyl)corrolato]gallium(III) were synthesized with pyridine (py) molecules as axial ligands. When investigated by electrospray ionization mass spectrometry, in the positive and the negative ion modes, these compounds showed an unusual gas-phase behavior that could be used for their differentiation. In the positive ion mode, the differentiation was achieved through the formation of diagnostic fragment ions formed from [M-py?+?H]+ precursors, by (CH3)2NH and HF losses. An unusual addition of water to the main fragment ions provides an alternative route for isomer identification. Semi-empirical calculations were performed to elucidate the structures and stabilities of the main ionic species formed in the positive ion mode. In the negative ion mode isomer discrimination is accomplished via the fragmentation of the methoxide adduct ions [M-py?+?CH3O]- through (CH3)2?N. and HF losses.

• 出版日期2012-4