Aspects of mass spectral calibration

Details Aspects of mass spectral calibration Aspects of mass spectral calibration

2008-03-25

2008-03-25

Wells, Nikita (Department: 2881)

Radiant energy

Ionic separation or analysis

Methods

C250S281000, C250S286000, C250S424000, C702S027000, C702S028000, C702S085000

Reexamination Certificate

active

11261440

ABSTRACT:
A method for calibrating and analyzing data from a mass spectrometer, comprising the steps of acquiring raw profile mode data containing mass spectral responses of ions with or without isotopes; calculating theoretical isotope distributions for each of at least one calibration ion based on elemental composition; convoluting the theoretical isotope distributions with an initial peak shape function to obtain theoretical isotope profiles for each ion; constructing a peak component matrix including the theoretical isotope profiles for calibration ions as peak components; performing a regression analysis between the raw profile mode mass spectral data and the peak component matrix; and reporting the regression coefficients as the relative concentrations for each of the components. A mass spectrometry system operated in accordance with the method and a computer readable medium having program code thereon for performing the method.

REFERENCES:
patent: 2007/0023633 (2007-02-01), Wang et al.
patent: 2007/0136017 (2007-06-01), Wang et al.

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