Pseudo-electropherogram construction from peptide level mass spectrometry data

    公开(公告)号:US12038444B2

    公开(公告)日:2024-07-16

    申请号:US17828465

    申请日:2022-05-31

    IPC分类号: G01N33/68 H01J49/00

    摘要: 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.