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Facilitating Imaging Mass Spectrometry of Microbial Specialized Metabolites with METASPACE.


ABSTRACT: Metabolite annotation from imaging mass spectrometry (imaging MS) data is a difficult undertaking that is extremely resource intensive. Here, we adapted METASPACE, cloud software for imaging MS metabolite annotation and data interpretation, to quickly annotate microbial specialized metabolites from high-resolution and high-mass accuracy imaging MS data. Compared with manual ion image and MS1 annotation, METASPACE is faster and, with the appropriate database, more accurate. We applied it to data from microbial colonies grown on agar containing 10 diverse bacterial species and showed that METASPACE was able to annotate 53 ions corresponding to 32 different microbial metabolites. This demonstrates METASPACE to be a useful tool to annotate the chemistry and metabolic exchange factors found in microbial interactions, thereby elucidating the functions of these molecules.

SUBMITTER: Nguyen DD 

PROVIDER: S-EPMC8401310 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature

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Facilitating Imaging Mass Spectrometry of Microbial Specialized Metabolites with METASPACE.

Nguyen Don D DD   Saharuka Veronika V   Kovalev Vitaly V   Stuart Lachlan L   Del Prete Massimo M   Lubowiecka Kinga K   De Mot René R   Venturi Vittorio V   Alexandrov Theodore T  

Metabolites 20210723 8


Metabolite annotation from imaging mass spectrometry (imaging MS) data is a difficult undertaking that is extremely resource intensive. Here, we adapted METASPACE, cloud software for imaging MS metabolite annotation and data interpretation, to quickly annotate microbial specialized metabolites from high-resolution and high-mass accuracy imaging MS data. Compared with manual ion image and MS1 annotation, METASPACE is faster and, with the appropriate database, more accurate. We applied it to data  ...[more]

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