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Fine structure in isotopic peak distributions measured using Fourier transform ion cyclotron resonance mass spectrometry : a comparison between an infinity ICR cell and a dynamically harmonized ICR cell
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Xu, Jingsha, Li, Meng, Marzullo, Bryan, Wootton, Christopher, Barrow, Mark P. and O’Connor, Peter B. (2022) Fine structure in isotopic peak distributions measured using Fourier transform ion cyclotron resonance mass spectrometry : a comparison between an infinity ICR cell and a dynamically harmonized ICR cell. Journal of The American Society for Mass Spectrometry, 33 (8). pp. 1499-1509. doi:10.1021/jasms.2c00093 ISSN 1044-0305.
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Official URL: https://doi.org/10.1021/jasms.2c00093
Abstract
The fine structure of isotopic peak distributions of glutathione in mass spectra is measured using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) at 12 and 15 T magnetic field, with an infinity cell and a dynamically harmonized cell (DHC) respectively. The resolved peaks in the fine structure of glutathione consist of 2H, 13C, 15N, 17O, 18O, 33S, 34S, 36S, and combinations of them. The positions of the measured fine structure peaks agree with the simulated isotopic distributions with the mass error less than 250 ppb in broadband mode for the infinity cell and no more than 125 ppb with the DHC after internal calibration. The 15 T FT-ICR MS with DHC cell also resolved around 30 isotopic peaks in broadband with a resolving power (RP) of 2 M. In narrowband (m/z 307–313), our current highest RP of 13.9 M in magnitude mode was observed with a 36 s transient length by the 15 T FT-ICR MS with the DHC and 2ω detection on the 15 T offers slightly higher RP (14.8 M) in only 18 s. For the 12 T FT-ICR MS with the infinity cell, the highest RP achieved was 15.6 M in magnitude mode with a transient length of 45 s. Peak decay was observed for low abundance peaks, which could be due to the suppression effects from the most abundant peak, as result of ion cloud Coulombic interactions (space-charge).
Item Type: | Journal Article | |||||||||||||||||||||||||||||||||
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Subjects: | Q Science > QD Chemistry Q Science > QP Physiology |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | |||||||||||||||||||||||||||||||||
SWORD Depositor: | Library Publications Router | |||||||||||||||||||||||||||||||||
Library of Congress Subject Headings (LCSH): | Glutathione -- Isotopes, Fourier transform nuclear magnetic resonance spectroscopy | |||||||||||||||||||||||||||||||||
Journal or Publication Title: | Journal of The American Society for Mass Spectrometry | |||||||||||||||||||||||||||||||||
Publisher: | ACS | |||||||||||||||||||||||||||||||||
ISSN: | 1044-0305 | |||||||||||||||||||||||||||||||||
Official Date: | 3 August 2022 | |||||||||||||||||||||||||||||||||
Dates: |
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Volume: | 33 | |||||||||||||||||||||||||||||||||
Number: | 8 | |||||||||||||||||||||||||||||||||
Page Range: | pp. 1499-1509 | |||||||||||||||||||||||||||||||||
DOI: | 10.1021/jasms.2c00093 | |||||||||||||||||||||||||||||||||
Status: | Peer Reviewed | |||||||||||||||||||||||||||||||||
Publication Status: | Published | |||||||||||||||||||||||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | |||||||||||||||||||||||||||||||||
Copyright Holders: | Copyright © 2022 The Authors. Published by American Chemical Society | |||||||||||||||||||||||||||||||||
Date of first compliant deposit: | 4 August 2022 | |||||||||||||||||||||||||||||||||
Date of first compliant Open Access: | 4 August 2022 | |||||||||||||||||||||||||||||||||
RIOXX Funder/Project Grant: |
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