[HTML][HTML] Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical …

D Broadhurst, R Goodacre, SN Reinke, J Kuligowski… - Metabolomics, 2018 - Springer
Background Quality assurance (QA) and quality control (QC) are two quality management
processes that are integral to the success of metabolomics including their application for the …

[HTML][HTML] Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium …

KA Lippa, JJ Aristizabal-Henao, RD Beger, JA Bowden… - Metabolomics, 2022 - Springer
Introduction The metabolomics quality assurance and quality control consortium (mQACC) is
enabling the identification, development, prioritization, and promotion of suitable reference …

Quality assurance procedures for mass spectrometry untargeted metabolomics. a review

D Dudzik, C Barbas-Bernardos, A García… - … of pharmaceutical and …, 2018 - Elsevier
Untargeted metabolomics, as a global approach, has already proven its great potential and
capabilities for the investigation of health and disease, as well as the wide applicability for …

High-throughput metabolomics: isocratic and gradient mass spectrometry-based methods

T Nemkov, JA Reisz, S Gehrke, KC Hansen… - … : Methods and Protocols, 2019 - Springer
Metabolomics has emerged in the past decade as a highly attractive and impactful
technique for phenotype-level profiling in diverse biological applications. Most recently, the …

[HTML][HTML] Metabolomics for personalized medicine: the input of analytical chemistry from biomarker discovery to point-of-care tests

FA Castelli, G Rosati, C Moguet, C Fuentes… - Analytical and …, 2022 - Springer
Metabolomics refers to the large-scale detection, quantification, and analysis of small
molecules (metabolites) in biological media. Although metabolomics, alone or combined …

Statistical analysis in metabolic phenotyping

BJ Blaise, GDS Correia, GA Haggart, I Surowiec… - Nature …, 2021 - nature.com
Metabolic phenotyping is an important tool in translational biomedical research. The
advanced analytical technologies commonly used for phenotyping, including mass …

Untargeted LC/MS-based metabolic phenotyping (metabonomics/metabolomics): The state of the art

H Gika, C Virgiliou, G Theodoridis, RS Plumb… - … of Chromatography B, 2019 - Elsevier
Liquid chromatography (LC) hyphenated to mass spectrometry is currently the most widely
used means of determining metabolic phenotypes via both untargeted and targeted …

[HTML][HTML] Quality assurance and quality control reporting in untargeted metabolic phenotyping: mQACC recommendations for analytical quality management

JA Kirwan, H Gika, RD Beger, D Bearden, WB Dunn… - Metabolomics, 2022 - Springer
Background Demonstrating that the data produced in metabolic phenotyping investigations
(metabolomics/metabonomics) is of good quality is increasingly seen as a key factor in …

[HTML][HTML] Advances in high throughput LC/MS based metabolomics: A review

RS Plumb, LA Gethings, PD Rainville, G Isaac… - TrAC Trends in …, 2023 - Elsevier
Properly implemented, metabolic and lipidomic profiling can provide a deeper
understanding of mammalian, plant and bacterial biology. These omics-tools have …

[HTML][HTML] MS2Query: reliable and scalable MS2 mass spectra-based analogue search

NF de Jonge, JJR Louwen, E Chekmeneva… - Nature …, 2023 - nature.com
Metabolomics-driven discoveries of biological samples remain hampered by the grand
challenge of metabolite annotation and identification. Only few metabolites have an …