Two-dimensional decomposition of H-D exchange mass spectra of multicharged ions of biopolymers and their separation into components with independent H-D substitutions
The work is aimed at developing a numerical method for analysing mass spectra of deutero-substituted multicharged ions of biopolymers to determine contributions of components presumably corresponding to different biomolecule conformations. The two-dimensional decomposition of the H-D exchange mass spectra of two, three and four charged apamin ions with their separation suggests that the reaction of apamin ions with ND3 molecules in the gas phase reveals hypothetically three different structural modifications of apamin ions. Usually for H-D exchange mass spectra, the presence of many resolvable protein structures was determined from measured distributions of peak intensities of ions with the same charge state. The method is new and has no published analogues.
KeywordsMass spectrometry H-D exchange Electrospray ionization (ESI) Multiply charged ions Decomposition of deutero-substituted charge-state distributions Retention probability for protons and deutrons
The authors appreciate Dr. V.I. Kozlovskiy and Dr. A.V. Chudinov for their aid for getting experimental data for apamin. Our thanks to A.R. Piktelev for further development of his software for time-of-flight mass spectra data processing.
This work was supported partially by the Russian Academy of Sciences (program no. 36). This work was performed in accordance with the state task, state registration N 0089-2019-0018.
Compliance with ethical standards
Conflict of interest
The authors declare that they have no competing interests.
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