Performance of Orbitrap Mass Analyzer at Various Space Charge and Non-Ideal Field Conditions: Simulation Approach
- 22 February 2012
- journal article
- Published by American Chemical Society (ACS) in Journal of the American Society for Mass Spectrometry
- Vol. 23 (5), 977-987
- https://doi.org/10.1007/s13361-011-0325-3
Abstract
The orbital trap mass analyzer provides a number of unique analytical features along with inevitable limitations as an electrostatic instrument operating in high space charge regimes resulting in systematic measured frequency errors as an effect of stored ion clouds on the trap field and each other effect of non-ideal machining the trap electrodes, effect of injection slot, effect of real versus theoretical trap dimensions, etc. This paper deals with determining the influence of the space charge effect and imperfection of the electrostatic field on the motion of ion ensembles in the orbital trap. We examine effects of theoretically modeled non-harmonicity of the electrostatic potential and the number of confined ions on stability of coherent ion motion in the trap that determines the frequency shifts of axial ion oscillation. Three different Orbitrap geometries were considered: geometry close to preproduction Orbitrap, close to standard Orbitrap, close to high field Orbitrap. Frequency shifts for m/z = 500 and for charge state +23 of cytochrome c isotopic cluster particles with \( {10^4} \) -6* \( {10^6} \) elemental charges in the trap were considered. Refined spectra were calculated using the filter diagonalization method proposed by Mandelshtam et al. and applied to mass spectrometry by O’Connor and Aizikov.
Keywords
This publication has 18 references indexed in Scilit:
- Analysis of phase dependent frequency shifts in simulated FTMS transients using the filter diagonalization methodInternational Journal of Mass Spectrometry, 2012
- Fourier transform ion cyclotron resonance cell with dynamic harmonization of the electric field in the whole volume by shaping of the excitation and detection electrode assemblyRapid Communications in Mass Spectrometry, 2010
- Orbitrap mass spectrometry: Instrumentation, ion motion and applicationsMass Spectrometry Reviews, 2008
- Realistic modeling of ion cloud motion in a Fourier transform ion cyclotron resonance cell by use of a particle‐in‐cell approachRapid Communications in Mass Spectrometry, 2007
- Performance Evaluation of a Hybrid Linear Ion Trap/Orbitrap Mass SpectrometerAnalytical Chemistry, 2006
- The Orbitrap: a new mass spectrometerJournal of Mass Spectrometry, 2005
- Fourier transform ion cyclotron resonance mass spectrometry: A primerMass Spectrometry Reviews, 1998
- Harmonic inversion of time signals and its applicationsThe Journal of Chemical Physics, 1997
- Fourier transform ion cyclotron resonance mass spectrometry: the teenage yearsAnalytical Chemistry, 1991
- A Method for the Neutralization of Electron Space Charge by Positive Ionization at Very Low Gas PressuresPhysical Review B, 1923