Invention:
This mass spectrometry analysis software and method extends the UniDec Bayesian deconvolution algorithm for application to two-dimensional charge detection-mass data. A 2D plot of m/z versus charge is created from raw data. Smoothing and background subtraction may be used, and deconvolution is applied to remove uncertainty in the charge and the m/z dimension to smooth neighboring charge and mass states.
Background:
Mass spectrometry (MS) and intact mass analysis are increasingly common in academic and industry research. This has created a demand for more robust approaches to MS analysis. UniDec is one approach. UniDec is a software package based on a Bayesian deconvolution algorithm. The algorithm provides a rapid and robust approach to deconvolving electrospray mass spectra into their corresponding mass and charge components. However, when the UniDec algorithm is applied, several types of artifacts including harmonic charge states and +/- 1 charge state uncertainty may arise depending on the quality and complexity of the data. Removing these artifacts improves the results of the deconvolution process.
Applications:
- Mass spectrometry analysis
Advantages:
- Improves data quality
- Removes deconvolution artifacts
