Darmstadt 2008 – scientific programme
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MS: Fachverband Massenspektrometrie
MS 9: Poster
MS 9.5: Poster
Wednesday, March 12, 2008, 16:30–18:30, Poster C2
ITSIM 6 - A Versatile Simulation Program for Mass Spectrometers — •Wolfgang Plaß1, Timo Dickel1, Benjamin Fabian1,2, and Emma Haettner1,2 — 1Justus-Liebig-Universität Gießen — 2GSI Darmstadt
The ion trajectory simulation program ITSIM 6 was developed to aid in the design and detailed understanding of complex structures and instruments in mass spectrometry, such as ion traps, RF quadrupoles, time-of-flight mass spectrometers, and gas-filled stopping cells. The program allows traditional ion trajectory tracing in electromagnetic fields. In addition, it follows a novel concept with dedicated simulation capabilities targeted at mass spectrometers and related instrumentation, which cannot be found in other simulation packages. Analytical descriptions for mass spectrometry instrumentation are included and enable realistic ion population initialization, convenient simulation handling, high accuracy calculations, as well as versatile data analysis. Simulation control and parameter optimization can occur via a built-in script language. Elastic and inelastic ion-neutral interactions and unimolecular dissociation are included. Gas dynamics can be taken into account in the simulation. Examples for applications of the program and results of simulations for a variety of instruments will be presented.