scholarly journals A database of high-resolution MS/MS spectra for lichen metabolites

2019 ◽  
Vol 6 (1) ◽  
Author(s):  
Damien Olivier-Jimenez ◽  
Marylène Chollet-Krugler ◽  
David Rondeau ◽  
Mehdi A. Beniddir ◽  
Solenn Ferron ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Gold Standard ◽  
Analytical Techniques ◽  
Liquid Chromatography Mass Spectrometry ◽  
Chemical Profiling ◽  
Botanical Museum ◽  
Versatile Tool ◽  
Technical Validation ◽  
Lichen Metabolites ◽  
Layer Chromatography

AbstractWhile 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.

Mass spectrometry as a versatile ancillary technique for the rapid in situ identification of lichen metabolites directly from TLC plates

2017 ◽  
Vol 49 (5) ◽  
pp. 507-520 ◽  
Author(s):  
Pierre LE POGAM ◽  
Aline PILLOT ◽  
Françoise LOHEZIC-LE DEVEHAT ◽  
Anne-Cécile LE LAMER ◽  
Béatrice LEGOUIN ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Accurate Identification ◽  
Chemical Profiling ◽  
Analytical Strategies ◽  
Tlc Plates ◽  
Lichen Metabolites ◽  
Acetone Extracts ◽  
Layer Chromatography ◽  
Structural Classes

AbstractThin-layer chromatography (TLC) still enjoys widespread popularity among lichenologists as one of the fastest and simplest analytical strategies, today remaining the primary method of assessing the secondary product content of lichens. The pitfalls associated with this approach are well known as TLC leads to characterizing compounds by comparison with standards rather than properly identifying them, which might lead to erroneous assignments, accounting for the long-held interest in hyphenating TLC with dedicated identification tools. As such, commercially available TLC/Mass Spectrometry (MS) interfaces can be easily connected to any brand of mass spectrometer without adjustments. The spots of interest are extracted from the TLC plate to retrieve mass spectrometric signals within one minute, thereby ensuring accurate identification of the chromatographed substances. The results of this hyphenated strategy for lichens are presented here by 1) describing the TLC migration and direct MS analysis of single lichen metabolites of various structural classes, 2) highlighting it through the chemical profiling of crude acetone extracts of a set of lichens of known chemical composition, and finally 3) applying it to a lichen of unknown profile, Usnea trachycarpa.

scholarly journals Staring into the void: demystifying microbial metabolomics

2019 ◽  
Vol 366 (11) ◽  
Author(s):  
Cynthia M Grim ◽  
Gordon T Luu ◽  
Laura M Sanchez
Keyword(s):  
Mass Spectrometry ◽  
Biological Significance ◽  
Analytical Techniques ◽  
Liquid Chromatography Mass Spectrometry ◽  
Single Experiment ◽  
Primary Metabolites ◽  
Transposon Insertion ◽  
Strong Focus ◽  
Limited Mass ◽  
Informatics Tools

ABSTRACT Metabolites give us a window into the chemistry of microbes and are split into two subclasses: primary and secondary. Primary metabolites are required for life whereas secondary metabolites have historically been classified as those appearing after exponential growth and are not necessarily needed for survival. Many microbial species are estimated to produce hundreds of metabolites and can be affected by differing nutrients. Using various analytical techniques, metabolites can be directly detected in order to elucidate their biological significance. Currently, a single experiment can produce anywhere from megabytes to terabytes of data. This big data has motivated scientists to develop informatics tools to help target specific metabolites or sets of metabolites. Broadly, it is imperative to identify clear biological questions before embarking on a study of metabolites (metabolomics). For instance, studying the effect of a transposon insertion on phenazine biosynthesis in Pseudomonas is a very different from asking what molecules are present in a specific banana-derived strain of Pseudomonas. This review is meant to serve as a primer for a ‘choose your own adventure’ approach for microbiologists with limited mass spectrometry expertise, with a strong focus on liquid chromatography mass spectrometry based workflows developed or optimized within the past five years.

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