A strategy for identifying differences in large series of metabolomic samples analyzed by GC/MS

P Jonsson, J Gullberg, A Nordström… - Analytical …, 2004 - ACS Publications
In metabolomics, the purpose is to identify and quantify all the metabolites in a biological
system. Combined gas chromatography and mass spectrometry (GC/MS) is one of the most …

Cross-platform comparison of methods for quantitative metabolomics of primary metabolism

JM Büscher, D Czernik, JC Ewald, U Sauer… - Analytical …, 2009 - ACS Publications
Quantitative metabolomics is under intense development, and no commonly accepted
standard analytical technique has emerged, yet. The employed analytical methods were …

Data acquisition workflows in liquid chromatography coupled to high resolution mass spectrometry-based metabolomics: Where do we stand?

F Fenaille, PB Saint-Hilaire, K Rousseau… - … of Chromatography a, 2017 - Elsevier
Typical mass spectrometry (MS) based untargeted metabolomics protocols are tedious as
well as time-and sample-consuming. In particular, they often rely on “full-scan-only” …

Current trends and challenges in sample preparation for global metabolomics using liquid chromatography–mass spectrometry

D Vuckovic - Analytical and bioanalytical chemistry, 2012 - Springer
The choice of sample-preparation method is extremely important in metabolomic studies
because it affects both the observed metabolite content and biological interpretation of the …

MyCompoundID: using an evidence-based metabolome library for metabolite identification

L Li, R Li, J Zhou, A Zuniga, AE Stanislaus… - Analytical …, 2013 - ACS Publications
Identification of unknown metabolites is a major challenge in metabolomics. Without the
identities of the metabolites, the metabolome data generated from a biological sample …

[HTML][HTML] Statistical workflow for feature selection in human metabolomics data

J Antonelli, BL Claggett, M Henglin, A Kim, G Ovsak… - Metabolites, 2019 - mdpi.com
High-throughput metabolomics investigations, when conducted in large human cohorts,
represent a potentially powerful tool for elucidating the biochemical diversity underlying …

Globally optimized targeted mass spectrometry: reliable metabolomics analysis with broad coverage

H Gu, P Zhang, J Zhu, D Raftery - Analytical chemistry, 2015 - ACS Publications
Targeted detection is one of the most important methods in mass spectrometry (MS)-based
metabolomics; however, its major limitation is the reduced metabolome coverage that results …

High-throughput and multiplexed LC/MS/MRM method for targeted metabolomics

R Wei, G Li, AB Seymour - Analytical chemistry, 2010 - ACS Publications
Target-based metabolomics, focused on a subset of metabolites representative of key
pathways, is a valuable tool for assessing metabolic changes resulting from genetic …

[HTML][HTML] “Notame”: workflow for non-targeted LC–MS metabolic profiling

A Klåvus, M Kokla, S Noerman, VM Koistinen… - Metabolites, 2020 - mdpi.com
Metabolomics analysis generates vast arrays of data, necessitating comprehensive
workflows involving expertise in analytics, biochemistry and bioinformatics in order to …

Representing the metabolome with high fidelity: range and response as quality control factors in LC-MS-based global profiling

CJ Sands, M Gómez-Romero, G Correia… - Analytical …, 2021 - ACS Publications
Liquid chromatography–mass spectrometry (LC-MS) is a powerful and widely used
technique for measuring the abundance of chemical species in living systems. Its sensitivity …