Determination of Unique Molecular Formulae from Mass Spectral Data

摘要

Analytical research in the application of mass spectrometric techniques to the accurate determination of the molecular formula and hence the elemental composition of unknown samples is described. Specifically, it has been shown that these techniques can be used to determine the percentage of fluorine in microgram quantities of organic compounds including those containing relatively high percentages of fluorine. The analytical procedure involves the use of high resolution mass measurements in conjunction with isotopic intensity measurements. In addition, the application of two new computer programs developed for use in these studies is described. (Author)