Decomposition of multicomponent mass spectra using Bayesian probability theory

J Mass Spectrom. 2002 Jul;37(7):748-54. doi: 10.1002/jms.335.

Abstract

We present a method for the decomposition of the mass spectra of mixed gases using Bayesian probability theory. The method works without any calibration measurement and therefore applies also to the analysis of spectra containing unstable species. For the example of mixtures of three different hydrocarbon gases the algorithm provides concentrations and cracking coefficients of each mixture component and also their confidence intervals. The amount of information needed to obtain reliable results and its relation to the accuracy of our analysis are discussed.