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microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data

https://doi.org/10.1038/s41564-023-01575-9

Zuffa, Simone ; Schmid, Robin ; Bauermeister, Anelize ; P. Gomes, Paulo Wender ; Caraballo-Rodriguez, Andres M. ; El Abiead, Yasin ; Aron, Allegra T. ; Gentry, Emily C. ; Zemlin, Jasmine ; Meehan, Michael J. ; et al ( February 2024 , Nature Microbiology)

Abstract
microbeMASST, a taxonomically informed mass spectrometry (MS) search tool, tackles limited microbial metabolite annotation in untargeted metabolomics experiments. Leveraging a curated database of >60,000 microbial monocultures, users can search known and unknown MS/MS spectra and link them to their respective microbial producers via MS/MS fragmentation patterns. Identification of microbe-derived metabolites and relative producers without a priori knowledge will vastly enhance the understanding of microorganisms’ role in ecology and human health.

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Free, publicly-accessible full text available February 5, 2025
GNPS Dashboard: collaborative exploration of mass spectrometry data in the web browser

https://doi.org/10.1038/s41592-021-01339-5

Petras, Daniel ; Phelan, Vanessa V. ; Acharya, Deepa ; Allen, Andrew E. ; Aron, Allegra T. ; Bandeira, Nuno ; Bowen, Benjamin P. ; Belle-Oudry, Deirdre ; Boecker, Simon ; Cummings, Dale A. ; et al ( December 2021 , Nature Methods)

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Untargeted mass spectrometry-based metabolomics approach unveils molecular changes in raw and processed foods and beverages

https://doi.org/10.1016/j.foodchem.2019.125290

Gauglitz, Julia M. ; Aceves, Christine M. ; Aksenov, Alexander A. ; Aleti, Gajender ; Almaliti, Jehad ; Bouslimani, Amina ; Brown, Elizabeth A. ; Campeau, Anaamika ; Caraballo-Rodríguez, Andrés Mauricio ; Chaar, Rama ; et al ( January 2020 , Food Chemistry)
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A community resource for paired genomic and metabolomic data mining

https://doi.org/10.1038/s41589-020-00724-z

Schorn, Michelle A. ; Verhoeven, Stefan ; Ridder, Lars ; Huber, Florian ; Acharya, Deepa D. ; Aksenov, Alexander A. ; Aleti, Gajender ; Moghaddam, Jamshid Amiri ; Aron, Allegra T. ; Aziz, Saefuddin ; et al ( April 2021 , Nature Chemical Biology)
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