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The isotope masses and relative abundances for each element are fundamentalchemical knowledge. Computing the isotope masses of a compound and theirrelative abundances is an important and difficult analytical chemistry problem.We demonstrate that this problem is equivalent to sorting$Y=X_1+X_2+\cdots+X_m$. We introduce a novel, practically efficient method forcomputing the top values in $Y$. then demonstrate the applicability of thismethod by computing the most abundant isotope masses (and their abundances)from compounds of nontrivial size.

Most abundant isotope peaks and efficient selection on $Y=X_1+X_2+\cdots + X_m$