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Celastraceae_plant_extracts_library

ABSTRACT: This is an untargeted liquid chromatography high resolution mass spectrometry profiling data set of 76 samples of different plant parts of 36 species belonging to 14 genera of the Celastraceae family. The data set is composed of: the .raw and open format .mzML files; the metadata associated to each file, including the curated accepted taxonomy based on the Open Tree of Life, analytical and biological tissue characteristics.

INSTRUMENT(S): Q Exactive

ORGANISM(S): Several Species

SUBMITTER: Jean-Luc Wolfender

PROVIDER: MSV000087970 | MassIVE | Wed Aug 11 07:15:00 BST 2021

REPOSITORIES: MassIVE

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Publications

<i>Inventa</i>: A computational tool to discover structural novelty in natural extracts libraries.

Quiros-Guerrero Luis-Manuel LM Nothias Louis-Félix LF Gaudry Arnaud A Marcourt Laurence L Allard Pierre-Marie PM Rutz Adriano A David Bruno B Queiroz Emerson Ferreira EF Wolfender Jean-Luc JL

Frontiers in molecular biosciences 20221111

Collections of natural extracts hold potential for the discovery of novel natural products with original modes of action. The prioritization of extracts from collections remains challenging due to the lack of a workflow that combines multiple-source information to facilitate the data interpretation. Results from different analytical techniques and literature reports need to be organized, processed, and interpreted to enable optimal decision-making for extracts prioritization. Here, we introduce ...[more]

PMID: 36438653

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GNPS - Celastraceae_plant_extracts_library

Project description:This is an untargeted liquid chromatography high resolution mass spectrometry profiling data set of 76 samples of different plant parts of 36 species belonging to 14 genera of the Celastraceae family. The data set is composed of: the .raw and open format .mzML files; the metadata associated to each file, including the curated accepted taxonomy based on the Open Tree of Life, analytical and biological tissue characteristics.

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