@inbook{0ffa87e28ab1451aa8f593f721a7e85c,
title = "Studying Plant Specialized Metabolites Using Computational Metabolomics Strategies",
abstract = "Plant specialized metabolites have diversified vastly over the course of plant evolution, and they are considered key players in complex interactions between plants and their environment. The chemical diversity of these metabolites has been widely explored and utilized in agriculture and crop enhancement, the food industry, and drug development, among other areas. However, the immensity of the plant metabolome can make its exploration challenging. Here we describe a protocol for exploring plant specialized metabolites that combines high-resolution mass spectrometry and computational metabolomics strategies, including molecular networking, identification of structural motifs, as well as prediction of chemical structures and metabolite classes.",
keywords = "GNPS, Molecular networking, MS2LDA, MS2Query, MZmine, Plant metabolomics, SIRIUS, Specialized metabolites",
author = "Lana Mutabd{\v z}ija and Akhona Myoli and {de Jonge}, {Niek F.} and Tito Damiani and Robin Schmid and {van der Hooft}, {Justin J.J.} and Fidele Tugizimana and Tom{\'a}{\v s} Pluskal",
note = "Publisher Copyright: {\textcopyright} The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature 2024.",
year = "2024",
doi = "10.1007/978-1-0716-3782-1_7",
language = "English",
series = "Methods in Molecular Biology",
publisher = "Humana Press Inc.",
pages = "97--136",
booktitle = "Methods in Molecular Biology",
}