Conspectus We must accelerate the pace at which we make technological advancements to
address climate change and disease risks worldwide. This swifter pace of discovery requires …

Microbiotas are a malleable part of ecosystems, including the human ecosystem.
Microorganisms affect not only the chemistry of their specific niche, such as the human gut …

Replicability is an important feature of scientific research, but aspects of contemporary
research culture, such as an emphasis on novelty, can make replicability seem less …

Untargeted metabolomics experiments rely on spectral libraries for structure annotation, but,
typically, only a small fraction of spectra can be matched. Previous in silico methods search …

Plants are natural experts in organic synthesis, being able to generate large numbers of
specific metabolites with widely varying structures that help them adapt to variable survival …

We introduce MetaboAnalyst version 6.0 as a unified platform for processing, analyzing, and
interpreting data from targeted as well as untargeted metabolomics studies using liquid …

Metabolomics using nontargeted tandem mass spectrometry can detect thousands of
molecules in a biological sample. However, structural molecule annotation is limited to …

Mass spectrometry is a predominant experimental technique in metabolomics and related
fields, but metabolite structural elucidation remains highly challenging. We report SIRIUS 4 …

The metabolome, the collection of small-molecule chemical entities involved in metabolism,
has traditionally been studied with the aim of identifying biomarkers in the diagnosis and …

Per-and polyfluoroalkyl substances (PFASs) are important environmental contaminants, yet
relatively few analytical reference standards exist for this class. Nontarget analyses …