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 …
Soil organic matter characterization by fourier transform ion cyclotron resonance mass spectrometry (FTICR MS): A critical review of sample preparation, analysis, and …
The biogeochemical cycling of soil organic matter (SOM) plays a central role in regulating
soil health, water quality, carbon storage, and greenhouse gas emissions. Thus, many …
soil health, water quality, carbon storage, and greenhouse gas emissions. Thus, many …
Gut microbial metabolism of 5-ASA diminishes its clinical efficacy in inflammatory bowel disease
For decades, variability in clinical efficacy of the widely used inflammatory bowel disease
(IBD) drug 5-aminosalicylic acid (5-ASA) has been attributed, in part, to its acetylation and …
(IBD) drug 5-aminosalicylic acid (5-ASA) has been attributed, in part, to its acetylation 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 …
New software tools, databases, and resources in metabolomics: Updates from 2020
BB Misra - Metabolomics, 2021 - Springer
Background Precision medicine, space exploration, drug discovery to characterization of
dark chemical space of habitats and organisms, metabolomics takes a centre stage in …
dark chemical space of habitats and organisms, metabolomics takes a centre stage in …
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 …
MSNovelist: de novo structure generation from mass spectra
Current methods for structure elucidation of small molecules rely on finding similarity with
spectra of known compounds, but do not predict structures de novo for unknown compound …
spectra of known compounds, but do not predict structures de novo for unknown compound …
Ion mobility mass spectrometry in the omics era: Challenges and opportunities for metabolomics and lipidomics
G Paglia, AJ Smith, G Astarita - Mass Spectrometry Reviews, 2022 - Wiley Online Library
Researchers worldwide are taking advantage of novel, commercially available,
technologies, such as ion mobility mass spectrometry (IM‐MS), for metabolomics and …
technologies, such as ion mobility mass spectrometry (IM‐MS), for metabolomics and …
Advanced methods for natural products discovery: bioactivity screening, dereplication, metabolomics profiling, genomic sequencing, databases and informatic tools …
Natural Products (NP) are essential for the discovery of novel drugs and products for
numerous biotechnological applications. The NP discovery process is expensive and time …
numerous biotechnological applications. The NP discovery process is expensive and time …
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 …