Method for evaluating data from mass spectrometry, mass spectrometry method, and maldi-tof mass spectrometer
AssigneeBruker Daltonics, Inc.
InventorTobias BOSKAMP
Life of this patent
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Abstract
The invention relates to a method to evaluate mass spectrometry data for the analysis of peptides from biological samples, particularly MALDI-TOF mass spectrometry data, comprising the steps of: providing expected mass defects; determining measured mass defects, i.e. the mass defects resulting from the mass spectrometry data; and comparing the measured mass defects with the expected mass defects.
Claims22
Mass spectrometric method for evaluating an individual mass spectrum of peptides from biological samples, comprising the following steps:
- a) measuring m/z values for different peptides using a mass spectrometric measuring device,
- b) assigning the measured m/z values to corresponding m/z bins of a 2D histogram, and
- c) plotting spectral intensities of the m/z bins in the 2D histogram, where the m/z bins are plotted on an abscissa axis and a discrepancy between a measured mass defect and an expected mass defect is plotted on an ordinate axis,
- wherein a diagram area defined by the abscissa axis and the ordinate axis is subdivided into a plurality of rectangles,
- wherein the measured m/z values are interpolated to an m/z resolution which corresponds to a selected subdivision of the ordinate axis,
- wherein, for each rectangle, intensity values of the interpolated m/z values whose mass defect discrepancy falls within the respective subintervals of the axes are summed, and
- wherein different intensity values are labeled differently and intensities with the same values are labeled the same.
Mass spectrometric method for evaluating an individual mass spectrum of molecules, which contain the five chemical elements carbon, hydrogen, oxygen, nitrogen and sulfur, from biological samples, comprising the following steps:
- a) measuring m/z values for different of the molecules using a mass spectrometric measuring device,
- b) assigning the measured m/z values to corresponding m/z bins of a 2D histogram, and
- c) plotting spectral intensities of the m/z bins in the 2D histogram, where the m/z bins are plotted on an abscissa axis and a discrepancy between a measured mass defect and an expected mass defect is plotted on an ordinate axis, wherein a diagram area defined by the abscissa axis and the ordinate axis is subdivided into a plurality of rectangles,
- wherein the measured m/z values are interpolated to an m/z resolution which corresponds to a selected subdivision of the ordinate axis,
- wherein, for each rectangle, intensity values of the interpolated m/z values whose mass defect discrepancy falls within the respective subintervals of the axes are summed, and
- wherein different intensity values are labeled differently and intensities with the same values are labeled the same.
Dependencies are inferred from the claim text.