The interpretation of Mass spectra can be a time consuming task that requires significant expertise. As a result, software has been developed to aid in the analysis of MS data for many classes of molecules from proteins, to peptides and small molecules that can perform a month of manual interpretation in minutes. Because our lab specializes in the analysis of GAGs, we have developed software to rapidly assign the composition of GAGs at the MS1 level, find adduct peaks, and even sequence the location of sulfate and N-acetyl modifications on GAGs using MS/MS data. We have also expanded beyond interpreting single spectra and upgraded our software to handle multiple data file and perform large omics-type analysis for GAGs.
