Calculating the EMD values for the theoretical isotopologues showed that the EMD values for the monoisotopic and isotopologue masses were similar. Figure shows the EMD values for the theoretical isotopic distribution of carbamazepine. In this example, a minimum and maximum absolute difference in EMD(i.e., dEMD) of 0.003 and 0.020 Da were found, respectively. Additionally, an increase in dEMD between the EMD mono and EMD iso was observed for isotopologues with a higher isotopologue mass depth. Even though the elements S and F are not present in the molecular formula of carbamazepine, a similar EMD trend is observed as for the elements O, N, CL, and H. On the other hand, figure and show that the presence of other elements (e.g., Br and P) in the molecular formula also do not influence the EMD values.