Mass spectrometry-based metabolomics in microbiome investigations
A Bauermeister, H Mannochio-Russo… - Nature Reviews …, 2022 - nature.com
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 …
Microorganisms affect not only the chemistry of their specific niche, such as the human gut …
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 …
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 …
Towards a harmonized identification scoring system in LC-HRMS/MS based non-target screening (NTS) of emerging contaminants
N Alygizakis, F Lestremau, P Gago-Ferrero… - TrAC Trends in …, 2023 - Elsevier
Non-target screening (NTS) methods are rapidly gaining in popularity, empowering
researchers to search for an ever-increasing number of chemicals. Given this possibility …
researchers to search for an ever-increasing number of chemicals. Given this possibility …
Identification of small molecules using accurate mass MS/MS search
Tandem mass spectral library search (MS/MS) is the fastest way to correctly annotate MS/MS
spectra from screening small molecules in fields such as environmental analysis, drug …
spectra from screening small molecules in fields such as environmental analysis, drug …
Systems-level annotation of a metabolomics data set reduces 25 000 features to fewer than 1000 unique metabolites
When using liquid chromatography/mass spectrometry (LC/MS) to perform untargeted
metabolomics, it is now routine to detect tens of thousands of features from biological …
metabolomics, it is now routine to detect tens of thousands of features from biological …
Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment
Molecular networking connects mass spectra of molecules based on the similarity of their
fragmentation patterns. However, during ionization, molecules commonly form multiple ion …
fragmentation patterns. However, during ionization, molecules commonly form multiple ion …
Metabolite discovery through global annotation of untargeted metabolomics data
Liquid chromatography–high-resolution mass spectrometry (LC-MS)-based metabolomics
aims to identify and quantify all metabolites, but most LC-MS peaks remain unidentified …
aims to identify and quantify all metabolites, but most LC-MS peaks remain unidentified …
Chemical discovery in the era of metabolomics
M Sindelar, GJ Patti - Journal of the American Chemical Society, 2020 - ACS Publications
Untargeted metabolomics aims to quantify the complete set of metabolites within a biological
system, most commonly by liquid chromatography/mass spectrometry (LC/MS). Since nearly …
system, most commonly by liquid chromatography/mass spectrometry (LC/MS). Since nearly …
xMSannotator: an R package for network-based annotation of high-resolution metabolomics data
Improved analytical technologies and data extraction algorithms enable detection of> 10
000 reproducible signals by liquid chromatography–high-resolution mass spectrometry …
000 reproducible signals by liquid chromatography–high-resolution mass spectrometry …