Author, as appears in the article.: Baquer, Gerard; Semente, Lluc; Mahamdi, Toufik; Correig, Xavier; Rafols, Pere; Garcia-Altares, Maria;
Department: Enginyeria Electrònica, Elèctrica i Automàtica
URV's Author/s: Baquer Gómez, Gerard Sergi / Correig Blanchar, Francesc Xavier / Garcia-Altares Pérez, Maria / Mahamdi, Toufik / Ràfols Soler, Pere / Sementé Fernández, Lluc
Keywords: Tissue-sections Software R package Protein identification Molecular identification Molecular annotation Metabolomics Matrix application Mass spectrometry imaging Liquid-chromatography Ion mobility spectrometry Identification confidence levels High-spatial-resolution Drug distribution Desorption ionization Assisted-laser-desorption/ionization
Abstract: Mass spectrometry imaging (MSI) has become a widespread analytical technique to perform nonlabeled spatial molecular identification. The Achilles' heel of MSI is the annotation and identification of molecular species due to intrinsic limitations of the technique (lack of chromatographic separation and the difficulty to apply tandem MS). Successful strategies to perform annotation and identification combine extra analytical steps, like using orthogonal analytical techniques to identify compounds; with algorithms that integrate the spectral and spatial information. In this review, we discuss different experimental strategies and bioinformatics tools to annotate and identify compounds in MSI experiments. We target strategies and tools for small molecule applications, such as lipidomics and metabolomics. First, we explain how sample preparation and the acquisition process influences annotation and identification, from sample preservation to the use of orthogonal techniques. Then, we review twelve software tools for annotation and identification in MSI. Finally, we offer perspectives on two current needs of the MSI community: the adaptation of guidelines for communicating confidence levels in identifications; and the creation of a standard format to store and exchange annotations and identifications in MSI.
Thematic Areas: Spectroscopy General biochemistry,genetics and molecular biology Condensed matter physics Biochemistry, genetics and molecular biology (miscellaneous) Biochemistry, genetics and molecular biology (all) Analytical chemistry
licence for use: https://creativecommons.org/licenses/by/3.0/es/
Author's mail: maria.garcia-altares@urv.cat pere.rafols@urv.cat xavier.correig@urv.cat gerard.baquer@estudiants.urv.cat gerard.baquer@estudiants.urv.cat lluc.semente@estudiants.urv.cat lluc.semente@estudiants.urv.cat toufik.mahamdi@urv.cat
Author identifier: 0000-0002-9240-4058 0000-0002-6902-3054 0000-0002-4433-4972 0000-0002-4433-4972
Record's date: 2024-06-15
Papper version: info:eu-repo/semantics/publishedVersion
Link to the original source: https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/mas.21794
Licence document URL: http://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Mass Spectrometry Reviews.
APA: Baquer, Gerard; Semente, Lluc; Mahamdi, Toufik; Correig, Xavier; Rafols, Pere; Garcia-Altares, Maria; (2022). What are we imaging? Software tools and experimental strategies for annotation and identification of small molecules in mass spectrometry imaging. Mass Spectrometry Reviews, (), -. DOI: 10.1002/mas.21794
Article's DOI: 10.1002/mas.21794
Entity: Universitat Rovira i Virgili
Journal publication year: 2022
Publication Type: Journal Publications
Repositori URV