Simulations software for QMFs and LITs

We have implemented two in-house software packages: QMS2 for 3D modelling of quadrupole mass filters [1-3] and LIT2 for 3D modelling of linear ion traps [4]. Both programs are based on the boundary element method (BEM) that provides very high electrostatic field accuracy even when a coarse electrode grid is used. Compared to commercial packages, our software has separate field solving program for high computational efficiency and supports much larger number of ions – 1E7 ions (QMS2) and 5E5 ions (LIT2).

Mass  peak optimisation through UV ratio for m/z 4 ions obtained using QMS2 3D program.

Mass window isolation for m/z 304 ions with 99% UV ratio in a non-scanning LIT obtained using LIT2 3D program.

References

1. T. J. Hogan and S. Taylor, Effects of mechanical tolerances on QMF performance for operation in the third stability zone, IEEE Trans. Instrum. Meas. 59, (7), pp. 1933-1940 (2010). PDF
2. J. Sreekumar, T. J. Hogan, S. Taylor, P. G. Turner and C. Knott, A quadrupole mass spectrometer for resolution of low mass isotopes, J. Am. Soc. Mass Spectrom. 21, (8), pp. 1364-1370 (2010). PDF
3. J. R. Gibson, K. G. Evans, S. U. Syed, S. Maher and S. Taylor, A method of computing accurate 3D fields of a quadrupole mass filter and their use for prediction of filter behaviour, J. Am. Soc. Mass Spectrom. 23, (9), pp. 1593-1601 (2012). PDF
4. B. Brkić, J. R. Gibson, S. Giannoukos and S. Taylor, LIT2: A novel software simulation package for 3D modeling of linear ion traps, PITTCON Conference, Chicago, USA (March 2014).