Increasing selectivity and coverage in LC-MS based metabolome analysis

K Ortmayr, TJ Causon, S Hann… - TrAC Trends in Analytical …, 2016 - Elsevier
The term non-targeted metabolomics implies a global and unbiased analysis. This involves
the complex (and yet not routine) task of correct alignment and eventually annotation of …

Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow

E Gorrochategui, J Jaumot, S Lacorte… - TrAC Trends in Analytical …, 2016 - Elsevier
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 …

Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices

S Alseekh, A Aharoni, Y Brotman, K Contrepois… - Nature …, 2021 - nature.com
Mass spectrometry-based metabolomics approaches can enable detection and
quantification of many thousands of metabolite features simultaneously. However …

Metabolite identification and quantitation in LC-MS/MS-based metabolomics

JF Xiao, B Zhou, HW Ressom - TrAC Trends in Analytical Chemistry, 2012 - Elsevier
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 …

Identification of metabolite interference is necessary for accurate LC-MS targeted metabolomics analysis

Z Jia, Q Qiu, R He, T Zhou, L Chen - Analytical Chemistry, 2023 - ACS Publications
Targeted metabolomics has been broadly used for metabolite measurement due to its good
quantitative linearity and simple metabolite annotation workflow. However, metabolite …

High-resolution separations and improved ion production and transmission in metabolomics

TO Metz, JS Page, ES Baker, K Tang, J Ding… - TrAC Trends in …, 2008 - Elsevier
The goal of metabolomics analyses is detection and quantitation of as many sample
components as reasonably possible in order to identify compounds or “features” that can be …

MetaboLyzer: a novel statistical workflow for analyzing postprocessed LC–MS metabolomics data

TD Mak, EC Laiakis, M Goudarzi… - Analytical …, 2014 - ACS Publications
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 …

Advanced analytical and informatic strategies for metabolite annotation in untargeted metabolomics

Y Cai, Z Zhou, ZJ Zhu - TrAC Trends in Analytical Chemistry, 2023 - Elsevier
Liquid chromatography–mass spectrometry (LC–MS)-based untargeted metabolomics is
constantly challenged by large-scale and unambiguous metabolite annotation in complex …

Enhanced detection and identification in metabolomics by use of LC–MS/MS untargeted analysis in combination with gas-phase fractionation

M Calderon-Santiago, F Priego-Capote… - Analytical …, 2014 - ACS Publications
Liquid chromatography coupled to tandem mass spectrometry is one of the most widely
used analytical platforms for profiling analysis in metabolomics. One weakness of …

MS-CleanR: A feature-filtering workflow for untargeted LC–MS based metabolomics

O Fraisier-Vannier, J Chervin, G Cabanac… - Analytical …, 2020 - ACS Publications
Untargeted metabolomics using liquid chromatography–mass spectrometry (LC–MS) is
currently the gold-standard technique to determine the full chemical diversity in biological …