A method is presented for the determination of empirical formulae consistent with precision mass data measured with a high-resolution mass spectrometer. It involves some simple calculations and a table, and eliminates tedious trial and error procedures Factors influencing the number of possible formulae obtained for a measured mass value are discussed.
J. van Katwijk, "Determination of Empirical Formulae by Precision Mass Measurements," Appl. Spectrosc. 18, 102-107 (1964)