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- Title
A database of high-resolution MS/MS spectra for lichen metabolites.
- Authors
Olivier-Jimenez, Damien; Chollet-Krugler, Marylène; Rondeau, David; Beniddir, Mehdi A.; Ferron, Solenn; Delhaye, Thomas; Allard, Pierre-Marie; Wolfender, Jean-Luc; Sipman, Harrie J. M.; Lücking, Robert; Boustie, Joël; Le Pogam, Pierre
- Abstract
While analytical techniques in natural products research massively shifted to liquid chromatography-mass spectrometry, lichen chemistry remains reliant on limited analytical methods, Thin Layer Chromatography being the gold standard. To meet the modern standards of metabolomics within lichenochemistry, we announce the publication of an open access MS/MS library with 250 metabolites, coined LDB for Lichen DataBase, providing a comprehensive coverage of lichen chemodiversity. These were donated by the Berlin Garden and Botanical Museum from the collection of Siegfried Huneck to be analyzed by LC-MS/MS. Spectra at individual collision energies were submitted to MetaboLights (https://www.ebi.ac.uk/metabolights/MTBLS999) while merged spectra were uploaded to the GNPS platform (CCMSLIB00004751209 to CCMSLIB00004751517). Technical validation was achieved by dereplicating three lichen extracts using a Molecular Networking approach, revealing the detection of eleven unique molecules that would have been missed without LDB implementation to the GNPS. From a chemist's viewpoint, this database should help streamlining the isolation of formerly unreported metabolites. From a taxonomist perspective, the LDB offers a versatile tool for the chemical profiling of newly reported species. Measurement(s) lichen metabolite Technology Type(s) liquid chromatography-tandem mass spectrometry Factor Type(s) organism Sample Characteristic - Organism lichen Machine-accessible metadata file describing the reported data: 10.6084/m9.figshare.10265234
- Subjects
LICHENS; METABOLITES; LIQUID chromatography-mass spectrometry; OPEN access publishing; ANALYTICAL solutions
- Publication
Scientific Data, 2019, Vol 6, Issue 1, pN.PAG
- ISSN
2052-4463
- Publication type
Article
- DOI
10.1038/s41597-019-0305-1