Effect of Magnetic Field Inhomogeneity on Ion Cyclotron Motion Coherence at High Magnetic Field

Abstract

A three-dimensional code based on the particle-in-cell algorithm modified to account for the inhomogeneity of the magnetic field was applied to determine the effect of Z¹, Z², Z³, Z⁴, X, Y, ZX, ZY, XZ² YZ², XY and X²–Y² components of an orthogonal magnetic field expansion on ion motion during detection in an FT-ICR cell. Simulations were performed for magnetic field strengths of 4.7, 7, 14.5 and 21 Tesla, including experimentally determined magnetic field spatial distributions for existing 4.7 T and 14.5 T magnets. The effect of magnetic field inhomogeneity on ion cloud stabilization (“ion condensation”) at high numbers of ions was investigated by direct simulations of individual ion trajectories. Z¹, Z², Z³ and Z⁴ components have the largest effect (especially Z¹) on ion cloud stability. Higher magnetic field strength and lower m/z demand higher relative magnetic field homogeneity to maintain cloud coherence for a fixed time period. The dependence of mass resolving power upper limit on Z¹ inhomogeneity is evaluated for different magnetic fields and m/z. The results serve to set the homogeneity requirements for various orthogonal magnetic field components (shims) for future FT-ICR magnet design.

Keywords

Fourier transform FTMS FT-ICR ICR Penning trap mass resolution mass resolving power

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References

Marshall

A.G.

Hendrickson

C.L.

Jackson

G.S.

, “Fourier transform ion cyclotron resonance mass spectrometry: A primer”, Mass Spectrom. Rev. 17, 1 (1998). doi: http://dx.doi.org/10.1002/(SICI)1098-2787(1998)17:1<1::AID-MAS1>3.0.CO;2-K

Bogdanov

Smith

R.D.

, “Proteomics by FTICR mass spectrometry: Top down and bottom up”, Mass Spectrom. Rev. 24, 2, 168 (2005). doi: http://dx.doi.org/10.1002/mas.20015

Marshall

A.G.

Rodgers

R.P.

, “Petroleomics: The next grand challenge for chemical analysis”, Acc. Chem. Res. 37(1), 53 (2004). doi: http://dx.doi.org/10.1021/ar020177t

Hertkorn

Ruecker

Meringer

Gugisch

Frommberger

Perdue

E.M.

Witt

Schmitt-Kopplin

, “High-precision frequency measurements: Indispensable tools at the core of the molecular-level analysis of complex systems”, Anal. Bioanal. Chem. 389, 1311 (2007). doi: http://dx.doi.org/10.1007/s00216-007-1577-4

Nikolaev

E.N.

Heeren

R.M.A.

Popov

A.M.

Pozdneev

A.V.

Chingin

K.S.

, “Realistic modeling of ion cloud motion in a Fourier transform ion cyclotron resonance cell by use of a particle-in-cell approach”, Rapid Commun. Mass Spectrom. 21, 3527 (2007). doi: http://dx.doi.org/10.1002/rcm.3234

Vladimirov

Hendrickson

C.L.

Blakney

G.T.

Marshall

A.G.

Heeren

R.M.

Nikolaev

E.N.

, “Fourier transform ion cyclotron resonance mass resolution and dynamic range limits calculated by computer modeling of ion cloud motion”, J. Am. Soc. Mass. Spectrom., 23(2), 375 (2012). doi: http://dx.doi.org/10.1007/s13361-011-0268-8

Boldin

I.A.

Nikolaev

E.N.

, “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 assembly”, Rapid Commun. Mass Spectrom. 25, 122 (2011). doi: http://dx.doi.org/10.1002/rcm.4838

Nikolaev

E.N.

Boldin

I.A.

Jertz

Baykut

, “Initial experimental characterization of a new ultra-high resolution FTICR cell with dynamic harmonization”, J. Am. Soc. Mass Spectrom. 22, 1125–1133 (2011). doi: http://dx.doi.org/10.1007/s13361-011-0125-9

Anderson

W.A.

, “Electrical current shims for correcting magnetic field”, Rev. Sci. Instrum. 32, 241 (1961). doi: http://dx.doi.org/10.1063/1.1717338

10.

Laukien

F.H.

, “The effects of residual spatial magnetic-field gradients on Fourier-transform ion-cyclotron resonance-spectra”, Int. J. Mass Spectrom. Ion Proc. 73, 81 (1986). doi: http://dx.doi.org/10.1016/0168-1176(86)80012-X

11.

Mitchell

D.W.

Rockwood

A.L.

Smith

R.D.

, “Frequency shifts and modulation effects due to solenoidal magnetic field inhomogeneities in ion cyclotron mass spectrometry”, Int. J. Mass Spectrom. Ion Proc. 2(10), 101 (1995). doi: http://dx.doi.org/10.1016/0168-1176(94)04106-H

12.

Jackson

J. D.

, Classical Electrodynamics, 3rd edn. John Wiley & Sons, New York (1998).

13.

Tarasova

I.A.

Tolmachev

D.A.

Vilkov

A.N.

Doroshenko

V.M.

Gorshkov

M.V.

, “Permanent magnet for ion cyclotron resonance mass spectrometer with atmospheric pressure ionization sources”, Mass-spectrometry 3(2), 89 (2006) (in Russian).

14.

Hockney

R.W.

Eastwood

J.W.

, Computer Simulation Using Particles. McGraw-Hill International Book Co. (1981).

15.

Kostyukevich

Y.I.

Vladimirov

G.N.

Nikolaev

E.N.

, “Dynamically harmonized FT-ICR cell with specially shaped electrodes for compensation of inhomogeneity of the magnetic field. Computer simulations of the electric field and ion motion dynamics”, J. Am. Soc Mass Spectrom. 23(12), 2198 (2012). doi: http://dx.doi.org/10.1007/s13361-012-0480-1

16.

Nikolaev

E.N.

Kostyukevich

Y.I.

Vladimirov

G.N.

, “Fourier transform ion cyclotron resonance (FT ICR) mass spectrometry: Theory and simulations”, Mass Spectrom. Rev. in press (2014). doi: http://dx.doi.org/10.1002/mas.21422