Peak coalescence, spontaneous loss of coherence, and quantification of the relative abundances of two species in the plasma regime: particle-in-cell modeling of Fourier transform ion cyclotron resonance mass spectrometry.

Journal of the American Society for Mass Spectrometry
M Takeshi NakataBryan G Peterson

Abstract

Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) is often limited by space-charge effects. Previously, particle-in-cell (PIC) simulations have been used to understand these effects on FTICR-MS signals. However, none have extended fully into the space-charge dominated (plasma) regime. We use a two-dimensional (2-D) electrostatic PIC code, which facilitates work at very high number densities at modest computational cost to study FTICR-MS in the plasma regime. In our simulation, we have observed peak coalescence and the rapid loss of signal coherence, two common experimental problems. This demonstrates that a 2-D model can simulate these effects. The 2-D code can handle a larger numbers of particles and finer spatial resolution than can currently be addressed by 3-D models. The PIC method naturally takes into account image charge and space charge effects in trapped-ion mass spectrometry. We found we can quantify the relative abundances of two closely spaced (such as (7)Be(+) and (7)Li(+)) species in the plasma regime even when their peaks have coalesced. We find that the frequency of the coalesced peak shifts linearly according to the relative abundances of these species. Space charge also affects more widely...Continue Reading

References

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Oct 19, 2007·Rapid Communications in Mass Spectrometry : RCM·Eugene N NikolaevKonstantin S Chingin
Nov 18, 2008·Journal of the American Society for Mass Spectrometry·Konstantin AizikovPeter B O'Connor
Sep 3, 2009·Rapid Communications in Mass Spectrometry : RCM·Ivan A Boldin, Eugene N Nikolaev

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Citations

Jun 20, 2012·Journal of the American Society for Mass Spectrometry·Timothy R CroleySteven M Musser
Mar 24, 2016·Rapid Communications in Mass Spectrometry : RCM·A Kaufmann, S Walker
Apr 3, 2012·Rapid Communications in Mass Spectrometry : RCM·A Kaufmann, S Walker
Jan 4, 2018·Rapid Communications in Mass Spectrometry : RCM·Anton Kaufmann, Stephan Walker
Feb 19, 2017·Journal of the American Society for Mass Spectrometry·Konstantin O NagornovYury O Tsybin

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