Our new article in Analytical Chemistry describes three different algorithms for predicting molecular mass of an analyte from its electron ionization mass spectrum, and demonstrates how these predictions can be considered simultaneously to more accurately infer molecular mass. This work was done in collaboration with Anthony Kearsley, Gary Mallard, Stephen Stein and William Wallace from the National Institute of Standards and Technology (Gaithersburg, USA).
Arun Moorthy | Trent University 