Advances in mass spectrometry-based metabolomics for investigation of metabolites
JL Ren, AH Zhang, L Kong, XJ Wang - RSC advances, 2018 - pubs.rsc.org
Metabolomics is the systematic study of all the metabolites present within a biological
system, which consists of a mass of molecules, having a variety of physical and chemical …
system, which consists of a mass of molecules, having a variety of physical and chemical …
Toward merging untargeted and targeted methods in mass spectrometry-based metabolomics and lipidomics
Advances in mass spectrometry (MS) and data processing have led to discoveries in
regulation of cellular metabolism by using metabolomics and lipidomics approaches. 1, 2 …
regulation of cellular metabolism by using metabolomics and lipidomics approaches. 1, 2 …
ADAP-GC 3.0: improved peak detection and deconvolution of co-eluting metabolites from GC/TOF-MS data for metabolomics studies
ADAP-GC is an automated computational pipeline for untargeted, GC/MS-based
metabolomics studies. It takes raw mass spectrometry data as input and carries out a …
metabolomics studies. It takes raw mass spectrometry data as input and carries out a …
Organization of GC/MS and LC/MS metabolomics data into chemical libraries
CD DeHaven, AM Evans, H Dai, KA Lawton - Journal of cheminformatics, 2010 - Springer
Background Metabolomics experiments involve generating and comparing small molecule
(metabolite) profiles from complex mixture samples to identify those metabolites that are …
(metabolite) profiles from complex mixture samples to identify those metabolites that are …
[HTML][HTML] Spectral deconvolution for gas chromatography mass spectrometry-based metabolomics: current status and future perspectives
Mass spectrometry coupled to gas chromatography (GC-MS) has been widely applied in the
field of metabolomics. Success of this application has benefited greatly from computational …
field of metabolomics. Success of this application has benefited greatly from computational …
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 …
Comparative evaluation of software for deconvolution of metabolomics data based on GC-TOF-MS
Traditional options available for deconvolution of data from gas chromatography-mass
spectrometry (GC-MS) experiments have mostly been confined to semi-automated methods …
spectrometry (GC-MS) experiments have mostly been confined to semi-automated methods …
MET-IDEA: data extraction tool for mass spectrometry-based metabolomics
CD Broeckling, IR Reddy, AL Duran, X Zhao… - Analytical …, 2006 - ACS Publications
A current and significant limitation to metabolomics is the large-scale, high-throughput
conversion of raw chromatographically coupled mass spectrometry datasets into organized …
conversion of raw chromatographically coupled mass spectrometry datasets into organized …
MetaboliteDetector: comprehensive analysis tool for targeted and nontargeted GC/MS based metabolome analysis
We have developed a new software, MetaboliteDetector, for the efficient and automatic
analysis of GC/MS-based metabolomics data. Starting with raw MS data, the program …
analysis of GC/MS-based metabolomics data. Starting with raw MS data, the program …
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 …