Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices
Mass spectrometry-based metabolomics approaches can enable detection and
quantification of many thousands of metabolite features simultaneously. However …
quantification of many thousands of metabolite features simultaneously. However …
[HTML][HTML] The origin and evolution of plant flavonoid metabolism
K Yonekura-Sakakibara, Y Higashi… - Frontiers in plant …, 2019 - frontiersin.org
During their evolution, plants have acquired the ability to produce a huge variety of
compounds. Unlike the specialized metabolites that accumulate in limited numbers of …
compounds. Unlike the specialized metabolites that accumulate in limited numbers of …
A lipidome atlas in MS-DIAL 4
H Tsugawa, K Ikeda, M Takahashi, A Satoh… - Nature …, 2020 - nature.com
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 …
DIAL 4), a comprehensive lipidome atlas with retention time, collision cross-section and …
MetaboAnalyst 6.0: towards a unified platform for metabolomics data processing, analysis and interpretation
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 …
interpreting data from targeted as well as untargeted metabolomics studies using liquid …
Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra
Metabolomics using nontargeted tandem mass spectrometry can detect thousands of
molecules in a biological sample. However, structural molecule annotation is limited to …
molecules in a biological sample. However, structural molecule annotation is limited to …
[HTML][HTML] Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking
Liquid chromatography-mass spectrometry (LC-MS) based untargeted metabolomics allows
to measure both known and unknown metabolites in the metabolome. However, unknown …
to measure both known and unknown metabolites in the metabolome. However, unknown …
Intestinal microbiota-derived tryptophan metabolites are predictive of Ah receptor activity
Commensal microbiota-dependent tryptophan catabolism within the gastrointestinal tract is
known to exert profound effects upon host physiology, including the maintenance of …
known to exert profound effects upon host physiology, including the maintenance of …
[HTML][HTML] Recurrent topics in mass spectrometry-based metabolomics and lipidomics—standardization, coverage, and throughput
We have come a long way in the last years of developing analytical strategies in
metabolomics. We have seen huge progress in tackling multiplatform measurement, data …
metabolomics. We have seen huge progress in tackling multiplatform measurement, data …
Retip: retention time prediction for compound annotation in untargeted metabolomics
Unidentified peaks remain a major problem in untargeted metabolomics by LC-MS/MS.
Confidence in peak annotations increases by combining MS/MS matching and retention …
Confidence in peak annotations increases by combining MS/MS matching and retention …
[HTML][HTML] 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 …