Effects of the source gap on transmission efficiency of a quadrupole mass spectrometer

• Published in: Rapid communications in mass spectrometry 2018-05, Vol.32 (9), p.677-685
• Main Authors: Antony Joseph, Mariya J., McIntosh, David G., Gibson, J. Raymond, Taylor, Stephen
• Format: Article
• Language: English
• Subjects: Boundary element method; Computer simulation; Efficiency; Mass spectrometers; Mass spectrometry; Mathematical analysis; Mathematical models; Portability; Quadrupoles; Simulation; Spectrometers; Three dimensional models; Transmission efficiency
• ISSN: 0951-4198; 1097-0231
• DOI: 10.1002/rcm.8094

Rationale Recent trends towards miniature and portable quadrupole mass spectrometry (QMS) entail challenges in instrumental sensitivity, which is influenced by 3D fringe field effects on ion transmission in the Quadrupole Mass Filter (QMF). The relationship of these effects with the gap from the ion source to the QMF entrance (source gap) is significant and little explored. We examine transmission characteristics experimentally and use the results to test the predictive accuracy of a recently developed 3D QMF simulation model. The model is then applied to directly investigate optimal transmission m/z ranges across multiple source gaps. Methods A portable single filter quadrupole mass spectrometer is used to analyse transmission characteristics across a range of common gases. We use an experimental approach originally proposed by Ehlert, enhanced with a novel method for absolute calibration of the transmission curve. Custom QMF simulation software employs the boundary element method (BEM) to compute accurate 3D electric fields. This is used to study the effects of the source gap on transmission efficiency. Results Experimental findings confirm a centrally peaked transmission curve; simulations correctly predict the optimal transmission location (in m/z) and percentage, and extend the experimental trend. We compare several methods for determining fringe field length, demonstrating how the size of the physical source gap influences both the length and the intensity of the fringe field at the QMF entrance. A complex relationship with ion transmission is revealed in which different source gaps promote optimal transmission at differing m/z ranges. Conclusions The presented results map the relationship between the source gap and transmission efficiency for the given instrument, using a simulation method transferrable to other setups. This is of importance to miniature and portable quadrupole mass spectrometers design for specific applications, for the first time enabling the source gap to be tailored for optimal transmission in the desired mass range.