Framework for <i>de novo</i> sequencing of peptide mixtures <i>via</i> network analysis and two-dimensional tandem mass spectrometry.

ABSTRACT: Two-dimensional tandem mass spectrometry (2D MS/MS) provides in-depth biopolymer structural information previously not directly accessible with traditional one-dimensional MS/MS workflows, and in significantly less time (<1 second per sample). In this study, we enhance 2D MS/MS data analysis for greater applicability in omics workflows and address challenges in sequencing peptides in mixtures. We designed a graph-theory-based framework to efficiently manage, visualize, and maximize the structural information extractable from 2D MS/MS spectra. Graph analysis algorithms, including a PageRank-based method, are shown to deconvolve MS/MS signals and group together product ions from the same presursor peptide, enabling the reconstruction of peptide fragmentation trees. From this, MS ⁿ

SUBMITTER: Le MT 

PROVIDER: S-EPMC12418246 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature