Mass spectrometry-based metabolomics approaches can enable detection and
quantification of many thousands of metabolite features simultaneously. However …

Developments in computational omics technologies have provided new means to access
the hidden diversity of natural products, unearthing new potential for drug discovery. In …

Abstract microbeMASST, a taxonomically informed mass spectrometry (MS) search tool,
tackles limited microbial metabolite annotation in untargeted metabolomics experiments …

Determining the structure and phenotypic context of molecules detected in untargeted
metabolomics experiments remains challenging. Here we present reverse metabolomics as …

MetaboLights is a global database for metabolomics studies including the raw experimental
data and the associated metadata. The database is cross-species and cross-technique and …

Background Precision medicine, space exploration, drug discovery to characterization of
dark chemical space of habitats and organisms, metabolomics takes a centre stage in …

Covering: up to the end of 2020 Recently introduced computational metabolome mining
tools have started to positively impact the chemical and biological interpretation of …

Human untargeted metabolomics studies annotate only~ 10% of molecular features. We
introduce reference-data-driven analysis to match metabolomics tandem mass spectrometry …

Covering: up to 2021 Plants and their associated microbial communities are known to
produce millions of metabolites, a majority of which are still not characterized and are …

Despite the increasing availability of tandem mass spectrometry (MS/MS) community
spectral libraries for untargeted metabolomics over the past decade, the majority of acquired …