Assigning Adduct and Charge States to High-resolution Accurate-mass Mass Spectral Data Using Frequency of Assignment in Multiple Difference Networks

摘要

Using the described graph-theory based algorithm to assign neutral adducts, in-source neutral losses, and charge species to mass spectral data produces useful results. Using the method described here complex mixtures of adducts with varied charge states and in-source neutral losses are detected and properly assigned..