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Method for calibrating a Fourier transform ion cyclotron resonance mass spectrometer

United States Patent

August 19, 2003
View the Complete Patent at the US Patent & Trademark Office
Pacific Northwest National Laboratory - Visit the Technology Commercialization Program Website
A method for improving the calibration of a Fourier transform ion cyclotron resonance mass spectrometer wherein the frequency spectrum of a sample has been measured and the frequency (f) and intensity (I) of at least three species having known mass to charge (m/z) ratios and one specie having an unknown (m/z) ratio have been identified. The method uses the known (m/z) ratios, frequencies, and intensities at least three species to calculate coefficients A, B, and C, wherein the mass to charge ratio of a least one of the three species (m/z).sub.i is equal to ##EQU1## wherein f.sub.i is the detected frequency of the specie, G(I.sub.i) is a predetermined function of the intensity of the species, and Q is a predetermined exponent. Using the calculated values for A, B, and C, the mass to charge ratio of the unknown specie (m/z).sub.ii is calculated as the sum of ##EQU2## wherein f.sub.ii is the measured frequency of the unknown specie, and (I.sub.ii) is the measured intensity of the unknown specie.
Smith; Richard D. (Richland, WA), Masselon; Christophe D. (Kennewick, WA), Tolmachev; Aleksey (Richland, WA)
09/ 870,577
May 30, 2001
This invention was made with Government support under Contract DE-AC0676RLO1830 awarded by the U.S. Department of Energy. The Government has certain rights in the invention.