On-tissue dataset-dependent MALDI-TIMS-MS2 bioimaging

Autor: Steffen Heuckeroth, Arne Behrens, Carina Wolf, Arne Fütterer, Ilona D. Nordhorn, Katharina Kronenberg, Corinna Brungs, Ansgar Korf, Henning Richter, Astrid Jeibmann, Uwe Karst, Robin Schmid
Jazyk: angličtina
Rok vydání: 2023
Předmět:
Zdroj: Nature Communications, Vol 14, Iss 1, Pp 1-9 (2023)
Druh dokumentu: article
ISSN: 2041-1723
05834112
DOI: 10.1038/s41467-023-43298-9
Popis: Abstract Trapped ion mobility spectrometry (TIMS) adds an additional separation dimension to mass spectrometry (MS) imaging, however, the lack of fragmentation spectra (MS2) impedes confident compound annotation in spatial metabolomics. Here, we describe spatial ion mobility-scheduled exhaustive fragmentation (SIMSEF), a dataset-dependent acquisition strategy that augments TIMS-MS imaging datasets with MS2 spectra. The fragmentation experiments are systematically distributed across the sample and scheduled for multiple collision energies per precursor ion. Extendable data processing and evaluation workflows are implemented into the open source software MZmine. The workflow and annotation capabilities are demonstrated on rat brain tissue thin sections, measured by matrix-assisted laser desorption/ionisation (MALDI)-TIMS-MS, where SIMSEF enables on-tissue compound annotation through spectral library matching and rule-based lipid annotation within MZmine and maps the (un)known chemical space by molecular networking. The SIMSEF algorithm and data analysis pipelines are open source and modular to provide a community resource.
Databáze: Directory of Open Access Journals
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