Inventors:
Jerry A. Zweigenbaum - Middletown DE, US
Earl M. Thurman - Almerta, ES
Imma Ferrer - Almerla, ES
Assignee:
Agilent Technologies, Inc. - Santa Clara CA
International Classification:
G01N 33/48
US Classification:
250281, 250282, 702 19, 702 23
Abstract:
A method of determining an empirical formula of an analyte ion from a measured mass spectrum including a main peak and one or more isotope peaks. The method comprises comparing a relative isotopic intensity of the measured isotope peak to a calculated relative isotopic intensity of an isotopic ion of a proposed empirical formula and comparing a relative mass defect of the measured isotope peak to a calculated relative mass defect of the isotopic ion of the proposed empirical formula. The proposed empirical formula is identified as a potential candidate for the analyte ion based on these comparisons.