Abstract
Tandem mass spectrometry using a hybrid mass spectrometer of BEqQ geometry was used to investigate the gas-phase formation of the [An + Li − H)+ ion from lithium-peptide adducts. High resolution mass measurements as well as precursor and product ion scans of five peptides indicate that one source of [An + Li − H) arises from [An + Li]+. Semiempirical calculations (MNOO) and metastable ion decomposition studies of the peptide Gly-Gly-Gly show that the lithium ion prefers to coordinate to the three internal carbonyls of the neutral molecule to give a species that is energetically more stable than the lithiated zwitterion by 305 kJ/mol. Theoretical and experimental evidence suggest that the monolithiated precursor ion population may be a distribution of structural isomers. (J Am Soc Mass Spectrom 1990, 1, 473-480)
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Leary, J.A., Zhou, Z., Ogden, S.A. et al. Investigations of gas-phase lithium-peptide adducts: Tandem. mass spectrometry and semiempirical studies. J Am Soc Mass Spectrom 1, 473–480 (1990). https://doi.org/10.1016/1044-0305(90)85030-P
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DOI: https://doi.org/10.1016/1044-0305(90)85030-P