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Deconvolution of isobaric interferences in mass spectra
1Department of Chemistry, University of Cincinnati, Cincinnati, Ohio 45221-0172, USA.
Summary
Isobar deconvolution methods are presented for mass spectrometry. Both mass domain and intensity domain approaches accurately resolve complex isotopic patterns, enhancing quantitative analysis in various instruments.
Area of Science:
- Analytical Chemistry
- Mass Spectrometry
- Spectroscopy
Background:
- Isobaric species present challenges in mass spectrometry due to overlapping signals.
- Accurate quantification requires effective deconvolution of these overlapping isotope patterns.
Purpose of the Study:
- To describe and compare two distinct isobar deconvolution approaches: mass domain and intensity domain.
- To illustrate the applicability of these methods across different mass spectrometry instrumentation.
Main Methods:
- Intensity domain deconvolution: Reconstructs observed isotope patterns from isolated isobaric species patterns using a least squares algorithm.
- Mass domain deconvolution: Deconvolves signals by forming Gaussian components with predictable peak characteristics, suitable for medium resolution instruments.
- Pattern reconstruction approach: Applicable to low resolution instruments like ICP-MS and GC/MS.
Main Results:
- Both intensity and mass domain deconvolution methods provide effective means for resolving isobaric interferences.
- The pattern reconstruction approach is versatile, working with both low and medium resolution mass spectrometers.
- Demonstrated successful application in analyzing CH(z)Se clusters in dimethyl diselenide mass spectra.
Conclusions:
- Isobar deconvolution is crucial for accurate quantitative analysis in mass spectrometry.
- The choice of deconvolution method depends on the instrument's resolution capabilities.
- These methods significantly improve the analysis of complex samples containing isobaric species.