** The Celastraceae Set **
This repository gathers scripts used for the datanote paper "UHPLC-HRMS/MS Untargeted Metabolomic Profiling of a Set of Natural Extracts from Celastraceae Family"
The purpose of this publicatio is to describe the chromatographic and spectral data obtained from the profiling of a unique set of 76 plant exatracts from the Celastraceae Family. Their exploration makes the object of the current Data Descriptor.
- School of Pharmaceutical Sciences, University of Geneva, CMU, Rue Michel-Servet 1, CH-1211 Geneva 4, Switzerland
- https://ispso.unige.ch/phytochimie/index.php
- High-Resolution Mass Spectrometry
- Computational Mass Spectrometry (molecular networking, metabolite annotation etc.)
- Data Visualization
Natural products exhibit interesting structural features and significant biological activities. However, the discovery of new and bioactive molecules is frequently impeded by the chemical complexity of the biological matrices. Therefore, while collections of natural extracts possess tremendous potential for chemical novelty, exploiting them within drug-discovery initiatives can be challenging. This Data Descriptor discloses the public availability of a dataset resulting from the untargeted liquid chromatography-mass spectrometry profiling of 76 natural extracts of the Celastraceae family. The spectral annotation results and related chemical and taxonomic metadata are shared, along with proposed examples of data reuse. With the aid of newly developed repository-level data analysis pipelines, this data can be further studied by researchers exploring the chemical diversity of natural products and this can serve as a reference sample set for deep metabolome investigation of this plant family.
Raw Data are available in the the MassIVE repository MSV000087970.
| Name | Twitter Handle |
|---|---|
| Luis Quiros-Guerrero | @luisquirosg |