dc.contributor.author
Olivier-Jimenez, Damien
dc.contributor.author
Chollet-Krugler, Marylène
dc.contributor.author
Rondeau, David
dc.contributor.author
Beniddir, Mehdi A.
dc.contributor.author
Ferron, Solenn
dc.contributor.author
Delhaye, Thomas
dc.contributor.author
Allard, Pierre-Marie
dc.contributor.author
Wolfender, Jean-Luc
dc.contributor.author
Sipma, Harrie J. M.
dc.contributor.author
Lücking, Robert
dc.contributor.author
Boustie, Joël
dc.contributor.author
Pogam, Pierre Le
dc.date.accessioned
2020-02-07T11:24:18Z
dc.date.available
2020-02-07T11:24:18Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/26615
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-26372
dc.description.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.
en
dc.rights.uri
https://creativecommons.org/licenses/by/4.0/
dc.subject
Mass spectrometry
en
dc.subject
Metabolomics
en
dc.subject
Natural products
en
dc.subject
Secondary metabolism
en
dc.subject
Small molecules
en
dc.subject.ddc
500 Naturwissenschaften und Mathematik::500 Naturwissenschaften::500 Naturwissenschaften und Mathematik
dc.title
A database of high-resolution MS/MS spectra for lichen metabolites
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation.articlenumber
294
dcterms.bibliographicCitation.doi
10.1038/s41597-019-0305-1
dcterms.bibliographicCitation.journaltitle
Scientific Data
dcterms.bibliographicCitation.volume
6
dcterms.bibliographicCitation.url
https://doi.org/10.1038/s41597-019-0305-1
refubium.affiliation
Botanischer Garten und Botanisches Museum Berlin-Dahlem (BGBM)
refubium.resourceType.isindependentpub
no
dcterms.accessRights.openaire
open access
dcterms.isPartOf.eissn
2052-4463
dcterms.isPartOf.zdb
2775191-0