Data processing for mass spectrometry-based metabolomics
M Katajamaa, M Orešič - Journal of chromatography A, 2007 - Elsevier
Modern analytical technologies afford comprehensive and quantitative investigation of a
multitude of different metabolites. Typical metabolomic experiments can therefore produce …
multitude of different metabolites. Typical metabolomic experiments can therefore produce …
Chemometric methods in data processing of mass spectrometry-based metabolomics: A review
L Yi, N Dong, Y Yun, B Deng, D Ren, S Liu… - Analytica chimica acta, 2016 - Elsevier
This review focuses on recent and potential advances in chemometric methods in relation to
data processing in metabolomics, especially for data generated from mass spectrometric …
data processing in metabolomics, especially for data generated from mass spectrometric …
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 …
Mass spectrometry‐based metabolomics
This review presents an overview of the dynamically developing field of mass spectrometry‐
based metabolomics. Metabolomics aims at the comprehensive and quantitative analysis of …
based metabolomics. Metabolomics aims at the comprehensive and quantitative analysis of …
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 …
Algorithms and tools for the preprocessing of LC–MS metabolomics data
S Castillo, P Gopalacharyulu, L Yetukuri… - … and Intelligent Laboratory …, 2011 - Elsevier
Metabolomics encompasses the study of small molecules in a biological sample. Liquid
Chromatography coupled with Mass Spectrometry (LC–MS) profiling is an important …
Chromatography coupled with Mass Spectrometry (LC–MS) profiling is an important …
[HTML][HTML] Navigating freely-available software tools for metabolomics analysis
Introduction The field of metabolomics has expanded greatly over the past two decades,
both as an experimental science with applications in many areas, as well as in regards to …
both as an experimental science with applications in many areas, as well as in regards to …
Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow
Data analysis is a very challenging task in LC-MS metabolomic studies. The use of powerful
analytical techniques (eg, high-resolution mass spectrometry) provides high-dimensional …
analytical techniques (eg, high-resolution mass spectrometry) provides high-dimensional …
Mass spectrometry‐based holistic analytical approaches for metabolite profiling in systems biology studies
G Theodoridis, HG Gika… - Mass spectrometry reviews, 2011 - Wiley Online Library
Metabonomics and metabolomics represent one of the three major platforms in systems
biology. To perform metabolomics it is necessary to generate comprehensive “global” …
biology. To perform metabolomics it is necessary to generate comprehensive “global” …
Eight key rules for successful data‐dependent acquisition in mass spectrometry‐based metabolomics
E Defossez, J Bourquin, S von Reuss… - Mass Spectrometry …, 2023 - Wiley Online Library
In recent years, metabolomics has emerged as a pivotal approach for the holistic analysis of
metabolites in biological systems. The rapid progress in analytical equipment, coupled to the …
metabolites in biological systems. The rapid progress in analytical equipment, coupled to the …