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Method of improving the resolution of compounds eluted from a chromatography device

  • US 9,395,341 B2
  • Filed: 12/20/2013
  • Issued: 07/19/2016
  • Est. Priority Date: 08/26/2009
  • Status: Active Grant
First Claim
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1. A method of improving the resolution of compounds eluted from a chromatography device comprising:

  • (a) using a spectrometer to measure spectroscopic data from an effluent eluted from a chromatography device as a function of elution time, the effluent containing eluted compounds;

    (b) using a processor to identify peaks in intensity in the spectral domain and collecting signal intensities within a spectroscopic window to form a sparse dataset;

    (c) using a processor to identify at least some peaks in intensity as a function of time in the chromatographic domain from the sparse dataset to form a first set of identified peaks;

    (d) removing, using a processor, from the first set of identified peaks those peaks that are not due to an eluted compound on the basis of a match between the shape of the identified peak and a model peak shape, on the basis of the intensity of the identified peak above a local background of the spectroscopic data, or any combination thereof thereby forming a second set of identified peaks from those retained;

    (e) tabulating peak parameters for the second set of identified peaks, the peak parameters including mass, intensity, centroid elution time, peak factor, correlation factor, or any combination thereof;

    (f) grouping together identified peaks in intensity in the second set of peaks having elution times within a given time period of identified peaks in intensity and assigning them to a single eluted compound thereby forming a processed data set; and

    (g) comparing the processed data set to the measured spectroscopic data to identify isotopic peaks.

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