| Monte Carlo Simulation for Pressurized Experimental Events in Fourier Transform Ion Cyclotron Resonance Mass Spectrometry |
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*a)School of Materials Science, Japan Advanced Institute of Science and Technology ( JAIST) (1-1 Asahidai, Tatsunokuchi, Ishikawa 923-1292, Japan) b)Department of Computer Engineering, Hiroshima City University (Hiroshima-shi, Hiroshima 731-3194, Japan) |
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| An ion trajectory simulation code based on a stochastic sampling method was developed for pressurized events in Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. The ion-neutral interaction was modeled by discrete collisions and was characterized by appropriate probability density functions. The use of randomization allows a more realistic representation of ion behaviors than a conventional approach, such as a viscous drag model. Besides, the proposed simulation can depict a time-varying internal energy, which may provide a useful measure for collisionally activated decomposition processes. The simulation code has been applied to various experimental situations of pressurized events; sustained off-resonance irradiation, quadrupolar excitation axialization and rf-only-mode trapping. The simulation results revealed the dynamics and the energetics of a trapped ion undergoing these pressurized events. | ||
| Key words: Fourier transform ion cyclotron resonance mass spectrometry, Simulation, Sustained off-resonance irradiation, Quadrupolar excitation axialization, Rf-only-mode trapping, Ion trajectory, Internal energy | ||
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