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Mass spectrometry

A scalable tool for fast and flexible variant identification in mass spectrometry

Nature Computational Science volume 5, pages 1108–1109 (2025)Cite this article

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Mass spectrometry data analysis has long been limited to known molecules and exact matches. In a recent manuscript, a scalable search algorithm is proposed for uncovering both known compounds and novel molecular variants, enabling insights into natural product biosynthesis.

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Fig. 1: Different approaches for the identification of molecular structures from mass spectra.

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Authors and Affiliations

  1. Laboratory of Applied Mass Spectrometry, Department of Cellular and Molecular Medicine, KU Leuven, Leuven, Belgium

    Bart Ghesquiere

  2. Metabolomics Core Leuven, VIB Center for Cancer Biology, VIB, Leuven, Belgium

    Bart Ghesquiere

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  1. Bart Ghesquiere
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Correspondence to Bart Ghesquiere.

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The author declares no competing interests.

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Ghesquiere, B. A scalable tool for fast and flexible variant identification in mass spectrometry. Nat Comput Sci 5, 1108–1109 (2025). https://doi.org/10.1038/s43588-025-00933-3

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