Deconvolution of isobaric interferences in mass spectra

The concept of isobar deconvolution using the mass domain and signal intensity based domains is described. The intensity domain-based approach employs the reconstruction of the observed isotope pattern from the isolated patterns of the isobaric species. The quantitative information is adjusted with the use of the least squares algorithm. The mass domain-based approach employs signal deconvolution by forming Gaussian components for which the peak width and position can be predicted a priori. The latter method is applicable to medium resolution instruments, such as TOF-MS, while the pattern reconstruction approach is applicable also to low resolution instrumentation, such as quadrupole-based ICP-MS or GC/MS. An example of CHzSe (z = 0-4) cluster analysis in dimethyl diselenide mass spectra is given to illustrate the concepts underlying both approaches. (C) 2004 American Society for Mass Spectrometry.