Deuterium substitution and charge retention in ions of organic and bioorganic compounds. Part 1. Apamin

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Abstract

This work continues the development of a new method for detecting different structural forms of biomolecules or organic compounds by analyzing hydrogen/deuterium exchange mass spectra of multiply charged (z > 1) or singly charged (z = 1) ions. The method is based on the best approximation of experimental mass spectra obtained by electrospray ionization of electrolyte solutions using a linear combination of several H/D/z distributions, assuming independent substitution of exchangeable hydrogen atoms with deuterium and independent retention of a certain number of charge carriers. The method is tested using apamin, an 18-amino acid polypeptide with a molecular mass of about 2025.886 Da. The relation between the obtained mass spectral components and the structural forms of apamin formed during hydrogen/deuterium exchange is analyzed. The comparison is made for conditions with and without the addition of ND3-containing gas.

About the authors

V. V. Raznikov

Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences

Email: raznikova.mari@yandex.ru
Moscow, Russia

M. O. Raznikova

Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry, Russian Academy of Sciences

Email: raznikova.mari@yandex.ru
Chernogolovka, Russia

A. R. Pihtelev

Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences

Email: raznikova.mari@yandex.ru
Moscow, Russia

S. V. Filatov

Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences

Email: raznikova.mari@yandex.ru
Moscow, Russia

I. V. Sulimenkov

Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences

Author for correspondence.
Email: raznikova.mari@yandex.ru
Moscow, Russia

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