Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics
Metabolomics has advanced significantly in the past 10 years with important developments
related to hardware, software and methodologies and an increasing complexity of …
related to hardware, software and methodologies and an increasing complexity of …
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 …
[HTML][HTML] Drug metabolite profiling and identification by high-resolution mass spectrometry
M Zhu, H Zhang, WG Humphreys - Journal of Biological Chemistry, 2011 - ASBMB
Mass spectrometry plays a key role in drug metabolite identification, an integral part of drug
discovery and development. The development of high-resolution (HR) MS instrumentation …
discovery and development. The development of high-resolution (HR) MS instrumentation …
Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry
WB Dunn, D Broadhurst, P Begley, E Zelena… - Nature protocols, 2011 - nature.com
Metabolism has an essential role in biological systems. Identification and quantitation of the
compounds in the metabolome is defined as metabolic profiling, and it is applied to define …
compounds in the metabolome is defined as metabolic profiling, and it is applied to define …
MetaboLyzer: a novel statistical workflow for analyzing postprocessed LC–MS metabolomics data
Metabolomics, the global study of small molecules in a particular system, has in the past few
years risen to become a primary-omics platform for the study of metabolic processes. With …
years risen to become a primary-omics platform for the study of metabolic processes. With …
Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database
Untargeted metabolomics provides a comprehensive platform for identifying metabolites
whose levels are altered between two or more populations. By using liquid chromatography …
whose levels are altered between two or more populations. By using liquid chromatography …
[HTML][HTML] Addressing big data challenges in mass spectrometry-based metabolomics
Advancements in computer science and software engineering have greatly facilitated mass
spectrometry (MS)-based untargeted metabolomics. Nowadays, gigabytes of metabolomics …
spectrometry (MS)-based untargeted metabolomics. Nowadays, gigabytes of metabolomics …
Galaxy-M: A Galaxy workflow for processing and analyzing direct infusion and liquid chromatography mass spectrometry-based metabolomics data
RL Davidson, RJM Weber, H Liu, A Sharma-Oates… - …, 2016 - academic.oup.com
Background: Metabolomics is increasingly recognized as an invaluable tool in the
biological, medical and environmental sciences yet lags behind the methodological maturity …
biological, medical and environmental sciences yet lags behind the methodological maturity …
Frontiers of high-throughput metabolomics
Highlights•Metabolomics enables rapid measurements at 10–100 times higher throughput
than proteomics.•The achievable throughput opens entirely new scientific and medical …
than proteomics.•The achievable throughput opens entirely new scientific and medical …
Metabolite identification and quantitation in LC-MS/MS-based metabolomics
Metabolomics aims at detection and quantitation of all metabolites in biological samples.
The presence of metabolites with a wide variety of physicochemical properties and different …
The presence of metabolites with a wide variety of physicochemical properties and different …