Mass spectrometry imaging (MSI) is commonly used to map the spatial distribution of small molecules within complex biological matrices. One of the major challenges in imaging MS-based spatial metabolomics is molecular identification and metabolite annotation, to address this limitation, annotation is often complemented with parallel bulk LC-MS2-based metabolomics to confirm and validate identifications. Here we applied MSI method, utilizing data-dependent acquisition, to visualize and identify unknown molecules in a single instrument run. To reach this aim we developed MSIpixel, a fully automated pipeline for compound annotation and quantitation in MSI experiments. It overcomes challenges in molecular identification, and improving reliability and comprehensiveness in MSI-based spatial metabolomics.

Morosi, L., Miotto, M., Timo, S., Carloni, S., Bruno, E., Meroni, M., et al. (2024). MSIpixel: a fully automated pipeline for compound annotation and quantitation in mass spectrometry imaging experiments. BRIEFINGS IN BIOINFORMATICS, 25(1) [10.1093/bib/bbad463].

MSIpixel: a fully automated pipeline for compound annotation and quantitation in mass spectrometry imaging experiments

Meroni, M;
2024

Abstract

Mass spectrometry imaging (MSI) is commonly used to map the spatial distribution of small molecules within complex biological matrices. One of the major challenges in imaging MS-based spatial metabolomics is molecular identification and metabolite annotation, to address this limitation, annotation is often complemented with parallel bulk LC-MS2-based metabolomics to confirm and validate identifications. Here we applied MSI method, utilizing data-dependent acquisition, to visualize and identify unknown molecules in a single instrument run. To reach this aim we developed MSIpixel, a fully automated pipeline for compound annotation and quantitation in MSI experiments. It overcomes challenges in molecular identification, and improving reliability and comprehensiveness in MSI-based spatial metabolomics.
Articolo in rivista - Articolo scientifico
annotations; mass spectrometry imaging; metabolomics; MSIpixel;
English
14-dic-2023
2024
25
1
bbad463
open
Morosi, L., Miotto, M., Timo, S., Carloni, S., Bruno, E., Meroni, M., et al. (2024). MSIpixel: a fully automated pipeline for compound annotation and quantitation in mass spectrometry imaging experiments. BRIEFINGS IN BIOINFORMATICS, 25(1) [10.1093/bib/bbad463].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/457264
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