Liquid chromatography coupled with high-resolution mass spectrometry (LC–HRMS) has
become a workhorse in global metabolomics studies with growing applications across …

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 …

Exposure to environmental organic pollutants has triggered significant ecological impacts
and adverse health outcomes, which have been received substantial and increasing …

In the field of metabolomics, mass spectrometry (MS) is the method most commonly used for
identifying and annotating metabolites. As this typically involves matching a given MS …

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 …

Abstract We present Mass Spectrometry-Data Independent Analysis software version 4 (MS-
DIAL 4), a comprehensive lipidome atlas with retention time, collision cross-section and …

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 …

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

The metabolome includes not just known but also unknown metabolites; however,
metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility …

Abstract Global Natural Product Social Molecular Networking (GNPS) is an interactive online
small molecule–focused tandem mass spectrometry (MS2) data curation and analysis …