Software tools and approaches for compound identification of LC-MS/MS data in metabolomics
The annotation of small molecules remains a major challenge in untargeted mass
spectrometry-based metabolomics. We here critically discuss structured elucidation …
spectrometry-based metabolomics. We here critically discuss structured elucidation …
NORMAN guidance on suspect and non-target screening in environmental monitoring
Increasing production and use of chemicals and awareness of their impact on ecosystems
and humans has led to large interest for broadening the knowledge on the chemical status …
and humans has led to large interest for broadening the knowledge on the chemical status …
Development and application of liquid chromatographic retention time indices in HRMS-based suspect and nontarget screening
There is an increasing need for comparable and harmonized retention times (t R) in liquid
chromatography (LC) among different laboratories, to provide supplementary evidence for …
chromatography (LC) among different laboratories, to provide supplementary evidence for …
Challenges, progress and promises of metabolite annotation for LC–MS-based metabolomics
R Chaleckis, I Meister, P Zhang… - Current opinion in …, 2019 - Elsevier
Highlights•Data independent MS/MS acquisition methods improve metabolite
identification.•A step-by-step workflow is needed to assess the accuracy of metabolite …
identification.•A step-by-step workflow is needed to assess the accuracy of metabolite …
Metabolomics in the context of plant natural products research: From sample preparation to metabolite analysis
Plant-derived natural products have long been considered a valuable source of lead
compounds for drug development. Natural extracts are usually composed of hundreds to …
compounds for drug development. Natural extracts are usually composed of hundreds to …
Nutrimetabolomics: an integrative action for metabolomic analyses in human nutritional studies
MM Ulaszewska, CH Weinert… - Molecular nutrition & …, 2019 - Wiley Online Library
The life sciences are currently being transformed by an unprecedented wave of
developments in molecular analysis, which include important advances in instrumental …
developments in molecular analysis, which include important advances in instrumental …
Accelerating metabolite identification in natural product research: toward an ideal combination of liquid chromatography–high-resolution tandem mass spectrometry …
Natural product research aims to characterize specialized metabolites from various living
organisms and assess their biological properties from either a chemical ecology or drug …
organisms and assess their biological properties from either a chemical ecology or drug …
[HTML][HTML] A review of the pharmaceutical exposome in aquatic fauna
Pharmaceuticals have been considered 'contaminants of emerging concern'for more than 20
years. In that time, many laboratory studies have sought to identify hazard and assess risk in …
years. In that time, many laboratory studies have sought to identify hazard and assess risk in …
Taking the leap between analytical chemistry and artificial intelligence: A tutorial review
The last 10 years have witnessed the growth of artificial intelligence into different research
areas, emerging as a vibrant discipline with the capacity to process large amounts of …
areas, emerging as a vibrant discipline with the capacity to process large amounts of …
The critical role that spectral libraries play in capturing the metabolomics community knowledge
Background Spectral library searching is currently the most common approach for
compound annotation in untargeted metabolomics. Spectral libraries applicable to liquid …
compound annotation in untargeted metabolomics. Spectral libraries applicable to liquid …