Fig. 3
From: DGet! An open source deuteration calculator for mass spectrometry data
Mass and isotopologue spectra for C20D28O8Zr. The experimental mass spectra A and calculated isotopic spectra of deuterated C20D28O8Zr B, observed as the adduct [C15D21O6Zr + CH3CN]+. The isotopic spectrum is used as a point-spread-function to de-convolve the individual contribution of each isotopologue from the overlay mass spectra C. These contributions (D15-19) are then used to calculate the percentage deuteration