Interactive analysis of mass spectrometry data

    公开(公告)号:US11289317B2

    公开(公告)日:2022-03-29

    申请号:US17135963

    申请日:2020-12-28

    Abstract: This invention relates to graphical user-interactive analysis of data, including in particular, mass spectrographic data analysis, as well as methods and software for generating and using such. One aspect provides user-customizable reports, including methods and apparatuses for generating customizable pivot tables and graphs specific to mass spectrographic data.

    METHODS AND APPARATUSES FOR DETERMINING THE INTACT MASS OF LARGE MOLECULES FROM MASS SPECTROGRAPHIC DATA

    公开(公告)号:US20200286722A1

    公开(公告)日:2020-09-10

    申请号:US16883983

    申请日:2020-05-26

    Inventor: Marshall BERN

    Abstract: Methods and apparatuses for the identification and/or characterization of properties of a sample using mass spectrometry. The method involves using a measured spectrum of data from a sample taken with a mass spectrometer, deconvoluting the measured spectrum of data by applying parsimony weighting to minimize the number of charge states based on one or more of: the number of intense peaks in the mass spectrum; the number of harmonic relationships (e.g., masses in small integer ratios); and the number of off-by-one relationships (e.g., m/z bins with high probability for two adjacent charges). Thus, the underlying m/z spectrum may be inferred from the family of plausible deconvoluted spectra determined by applying parsimony and the inferred m/z spectrum may be used to identify and/or characterize the sample.

    INTERACTIVE ANALYSIS OF MASS SPECTROMETRY DATA

    公开(公告)号:US20200234937A1

    公开(公告)日:2020-07-23

    申请号:US16713556

    申请日:2019-12-13

    Abstract: This invention relates to graphical user-interactive analysis of data, including in particular, mass spectrographic data analysis, as well as methods and software for generating and using such. One aspect provides user-customizable reports, including methods and apparatuses for generating customizable pivot tables and graphs specific to mass spectrographic data.

    INTERACTIVE ANALYSIS OF MASS SPECTROMETRY DATA

    公开(公告)号:US20210118659A1

    公开(公告)日:2021-04-22

    申请号:US17135963

    申请日:2020-12-28

    Abstract: This invention relates to graphical user-interactive analysis of data, including in particular, mass spectrographic data analysis, as well as methods and software for generating and using such. One aspect provides user-customizable reports, including methods and apparatuses for generating customizable pivot tables and graphs specific to mass spectrographic data.

    INTACT MASS RECONSTRUCTION FROM PEPTIDE LEVEL DATA AND FACILITATED COMPARISON WITH EXPERIMENTAL INTACT OBSERVATION

    公开(公告)号:US20210048440A1

    公开(公告)日:2021-02-18

    申请号:US16859758

    申请日:2020-04-27

    Abstract: Methods and apparatuses for the identification and/or characterization of properties of a macromolecule based on mass spectrometry data. Specifically, described herein are methods and apparatuses for converting peptide-level data into a pseudo-intact mass spectra. Also described herein are methods and apparatuses for converting peptide-level data into a pseudo-electropherogram. The methods may be well suited for analyzing proteins and protein complexes, including estimating properties of post-translational modifications of the proteins and protein complexes. Methods may include generating a theoretical graph or spectrum based on peptide-level mass spectrometry data. In some embodiments, the theoretical graph may be a theoretical intact mass spectrum or a theoretical charge distribution spectrum.

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