Fig. 2
From: DGet! An open source deuteration calculator for mass spectrometry data
DGet! processing flow. Inputs of a formula and adduct are used to generate the isotopic spectra of the compound and target masses for all isotopologues. Peak heights or areas are extracted from the MS data at these target masses and the isotopologue makeup extracted by de-convolving, using the isotope spectra as a response function. Deuteration percentage and the makeup are then displayed to the user