SIMION modeling of ion image charge detection in Fourier transform ion cyclotron resonance mass spectrometry

Hendrickson, Christopher L.; Beu, Steven C.; Blakney, Greg T.; Marshall, Alan G.

doi:10.1016/j.ijms.2009.02.009

Cited by 23 publications

(12 citation statements)

References 30 publications

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“…Similarly, it is made clear why blue and red axial sidebands occur only at even multiples of the axial frequency and why corresponding blue and red axial sidebands must have amplitudes of equal magnitude. These results are in agreement with the findings of various experiments and numerical [11] and analytical studies [12].…”

Section: Discussionsupporting

confidence: 92%

“…For an overview of experimental work and numerical modeling relating to sidebands and various detection schemes, see Grosshans et al [12] and Hendrickson et al [11]. Our analytical results corroborate their findings.…”

Section: Detection Schemessupporting

confidence: 84%

“…While the former ones are very useful for practical laboratory work, the latter ones, although possibly less general, provide insights into the working of the theoretical machinery. A very general numerical model based on the reciprocity principle and image charge calculation within the SIMION modeling environment has been published by Hendrickson et al [11]. It provides accurate numerical data for Fourier amplitudes in a wide class of trap geometries.…”

Section: Introductionmentioning

confidence: 99%

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Model calculation of amplitudes for FT-ICR ion detection in a cylindrical Penning trap

Kretzschmar

2012

Appl. Phys. B

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A Green's function strategy first proposed by Grosshans et al. is used to calculate the electric charges induced by trapped ions on the 4-fold or 8-fold segmented ring electrode of a cylindrical Penning trap. The ions are assumed to move in the central region of the trap where the harmonic approximation holds. The electric charges induced on each detection segment of the ring electrode are obtained in the form of a triple Fourier series with coefficients that describe the contribution of each frequency combination m + ν + + m − ν − + m z ν z as a function of R + , R − , Z, where ν + , ν − , ν z are the characteristic frequencies and R + , R − , Z the corresponding amplitudes of the ion motion. The sideband structure is analyzed and the origin of the sidebands is tracked. Finally, single-electrode, differential, and additive detection are discussed.

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Section: Discussionsupporting

confidence: 92%

Section: Detection Schemessupporting

confidence: 84%

Section: Introductionmentioning

confidence: 99%

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Model calculation of amplitudes for FT-ICR ion detection in a cylindrical Penning trap

Kretzschmar

2012

Appl. Phys. B

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“…With the development of computer technology and simulation technique, many simulation models have been developed to describe the ion motion in electric field [33][34][35][36] or gas flow field [37,38], separately. Some simulation packages also have been developed, such as ITSIM [9,[39][40][41], GEMIOS [42,43], microDMX [44] and SIMION [45] for the ion trajectory simulation.…”

Section: Introductionmentioning

confidence: 99%

Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry

Han

Cheng

et al. 2012

International Journal of Mass Spectrometry

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“…Here, the recorded signal also deviates from an ideal cosine function since the ion does not move on a perfect circular orbit around the geometric axis of the ICR cell. Particularly, a magnetron motion in the ICR cell introduces sidebands to all harmonic peaks as well as to the fundamental peak [20,21]. In a regular FT-ICR spectrum, the abundance of harmonic signals is small but the harmonics have been a subject of interest for almost two decades.…”

mentioning

confidence: 99%

Tracking the Magnetron Motion in FT-ICR Mass Spectrometry

Jertz

Friеdrich

Kriete

et al. 2015

J. Am. Soc. Mass Spectrom.

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Abstract. In Fourier transform ion cyclotron resonance spectrometry (FT-ICR MS) the ion magnetron motion is not usually directly measured, yet its contribution to the performance of the FT-ICR cell is important. Its presence is manifested primarily by the appearance of even-numbered harmonics in the spectra. In this work, the relationship between the ion magnetron motion in the ICR cell and the intensities of the second harmonic signal and its sideband peak in the FT-ICR spectrum is studied. Ion motion simulations show that during a cyclotron motion excitation of ions which are offset to the cell axis, a position-dependent radial drift of the cyclotron center takes place. This radial drift can be directed outwards if the ion is initially offset towards one of the detection electrodes, or it can be directed inwards if the ion is initially offset towards one of the excitation electrodes. Consequently, a magnetron orbit diameter can increase or decrease during a resonant cyclotron excitation. A method has been developed to study this behavior of the magnetron motion by acquiring a series of FT-ICR spectra using varied post-capture delay (PCD) time intervals. PCD is the delay time after the capture of the ions in the cell before the cyclotron excitation of the ion is started. Plotting the relative intensity of the second harmonic sideband peak versus the PCD in each mass spectrum leads to an oscillating BPCD curve". The position and height of minima and maxima of this curve can be used to interpret the size and the position of the magnetron orbit. Ion motion simulations show that an off-axis magnetron orbit generates even-numbered harmonic peaks with sidebands at a distance of one magnetron frequency and multiples of it. This magnetron offset is due to a radial offset of the electric field axis versus the geometric cell axis. In this work, we also show how this offset of the radial electric field center can be corrected by applying appropriate DC correction voltages to the mantle electrodes of the ICR cell while observing the signals of the second harmonic peak group. The field correction leads to a definite performance increase in terms of resolving power and mass accuracy, and the mass spectrum contains intensity-minimized even-numbered harmonics. This is very important in the case of high performance cells, particularly the dynamically harmonized cell, since the magnetron motion can severely impair the averaging effect for dynamic harmonization and can therefore reduce the resolving power.

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SIMION modeling of ion image charge detection in Fourier transform ion cyclotron resonance mass spectrometry

Cited by 23 publications

References 30 publications

Model calculation of amplitudes for FT-ICR ion detection in a cylindrical Penning trap

Model calculation of amplitudes for FT-ICR ion detection in a cylindrical Penning trap

Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry

Tracking the Magnetron Motion in FT-ICR Mass Spectrometry

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