A study of the properties of Gaussian mixture model for stable isotope standard quantification in MALDI-TOF MS.

The quantification of peptides in Matrix assisted laser desorption/ionization time-of-flight mass spectrum analysis coupled with stable isotope standards has been used to quantify native peptides under many experimental conditions. This approach has difficulties quantifying samples containing peptides with ion currents in overlapping (convolved) spectra. In a previous article we proposed a reparametrized Gaussian mixture model based on the known characteristics of the peptides that could also accommodate overlapping spectra. We demonstrated the application of our model in a series of single and overlapping peptides quantification experiments. Here, we focus solely on studying the properties of our approach and examine the characteristics of the GMM approach in convolved peptides using simulated spectra and provide a method for simulating these spectra.