Issue 2, 2016

Extracting biomolecule collision cross sections from the high-resolution FT-ICR mass spectral linewidths

Abstract

It is known that the ion collision cross section (CCS) may be calculated from the linewidth of a Fourier transform ion cyclotron resonance (FT-ICR) mass spectral peak at elevated pressure (e.g., ∼10−6 Torr). However, the high mass resolution of FT-ICR is sacrificed in those experiments due to high buffer gas pressure. In this study, we describe a linewidth correction method to eliminate the windowing-induced peak broadening effect. Together with the energetic ion–neutral collision model previously developed by our group, this method enables the extraction of CCSs of biomolecules from high-resolution FT-ICR mass spectral linewidths, obtained at a typical operating buffer gas pressure of modern FT-ICR instruments (∼10−10 Torr). CCS values of peptides including MRFA, angiotensin I, and bradykinin measured by the proposed method agree well with ion mobility measurements, and the unfolding of protein ions (ubiquitin) at higher charge states is also observed.

Graphical abstract: Extracting biomolecule collision cross sections from the high-resolution FT-ICR mass spectral linewidths

Article information

Article type
Paper
Submitted
24 May 2015
Accepted
17 Aug 2015
First published
18 Aug 2015

Phys. Chem. Chem. Phys., 2016,18, 713-717

Author version available

Extracting biomolecule collision cross sections from the high-resolution FT-ICR mass spectral linewidths

T. Jiang, Y. Chen, L. Mao, A. G. Marshall and W. Xu, Phys. Chem. Chem. Phys., 2016, 18, 713 DOI: 10.1039/C5CP02987B

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