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Updated: Nov 15, 2025

Deep Proteome Profiling by Isobaric Labeling, Extensive Liquid Chromatography, Mass Spectrometry, and Software-assisted Quantification
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Peak Identification and Quantification by Proteomic Mass Spectrogram Decomposition.

Pasrawin Taechawattananant1, Kazuyoshi Yoshii2,3, Yasushi Ishihama1,4

  • 1Graduate School of Pharmaceutical Sciences, Kyoto University, Kyoto 606-8501, Japan.

Journal of Proteome Research
|March 4, 2021
PubMed
Summary

We developed Proteomic Mass Spectrogram Decomposition (ProtMSD), a novel statistical method for identifying and quantifying peptides and proteins from complex liquid chromatography/mass spectrometry data. This approach improves proteome analysis accuracy without extensive preprocessing.

Keywords:
bioinformaticsmachine learningmass spectrogrammatch-between-runsmatrix decompositionprotein identification and quantificationshotgun proteomics

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Area of Science:

  • Proteomics
  • Analytical Chemistry
  • Computational Biology

Background:

  • Liquid chromatography/mass spectrometry (LC/MS) technology advances proteome analysis.
  • Complex mass spectrograms require sophisticated algorithms for interpretation.

Purpose of the Study:

  • To propose a novel statistical method, ProtMSD, for joint peptide and protein identification and quantification.
  • To improve the accuracy and efficiency of proteomic data analysis.

Main Methods:

  • ProtMSD utilizes matrix decomposition with a group sparsity constraint.
  • Incorporates protein-peptide hierarchy, isotopic profiles, retention times, and noise spectra.
  • Avoids conventional preprocessing steps like thresholding and peak picking.

Main Results:

  • ProtMSD demonstrated high agreement with established tools (Mascot/Skyline, MaxQuant).
  • Achieved 94.79% peptide and 98.21% protein agreement for *E. coli*.
  • Achieved 103% peptide and 101% protein agreement for yeast, validating match-between-runs.

Conclusions:

  • ProtMSD offers a robust alternative for LC/MS-based proteome identification and quantification.
  • This is the first application of matrix decomposition for this purpose.
  • The method enhances accuracy by leveraging inherent biological and spectral information.