[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 …

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 …

A cheminformatics approach to characterize metabolomes in stable-isotope-labeled organisms

H Tsugawa, R Nakabayashi, T Mori, Y Yamada… - Nature …, 2019 - nature.com
We report a computational approach (implemented in MS-DIAL 3.0; http://prime. psc. riken.
jp/) for metabolite structure characterization using fully 13C-labeled and non-labeled plants …

Current approaches and challenges for the metabolite profiling of complex natural extracts

JL Wolfender, G Marti, A Thomas, S Bertrand - Journal of Chromatography …, 2015 - Elsevier
Metabolite profiling is critical in many aspects of the life sciences, particularly natural product
research. Obtaining precise information on the chemical composition of complex natural …

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

WB Dunn, D Broadhurst, P Begley, E Zelena… - Nature protocols, 2011 - nature.com
Metabolism has an essential role in biological systems. Identification and quantitation of the
compounds in the metabolome is defined as metabolic profiling, and it is applied to define …

Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy

WB Dunn, DI Broadhurst, HJ Atherton… - Chemical society …, 2011 - pubs.rsc.org
The study of biological systems in a holistic manner (systems biology) is increasingly being
viewed as a necessity to provide qualitative and quantitative descriptions of the emergent …

Mass spectrometric based approaches in urine metabolomics and biomarker discovery

MM Khamis, DJ Adamko… - Mass spectrometry …, 2017 - Wiley Online Library
Urine metabolomics has recently emerged as a prominent field for the discovery of non‐
invasive biomarkers that can detect subtle metabolic discrepancies in response to a specific …

The importance of experimental design and QC samples in large-scale and MS-driven untargeted metabolomic studies of humans

WB Dunn, ID Wilson, AW Nicholls, D Broadhurst - Bioanalysis, 2012 - Future Science
The metabolic investigation of the human population is becoming increasingly important in
the study of health and disease. The phenotypic variation can be investigated through the …

[HTML][HTML] Mass spectrometry strategies in metabolomics

Z Lei, DV Huhman, LW Sumner - Journal of Biological Chemistry, 2011 - ASBMB
MS has evolved as a critical component in metabolomics, which seeks to answer biological
questions through large-scale qualitative and quantitative analyses of the metabolome. MS …

New advances in separation science for metabolomics: resolving chemical diversity in a post-genomic era

NL Kuehnbaum, P Britz-McKibbin - Chemical reviews, 2013 - ACS Publications
Metabolomics offers a revolutionary framework for phenotyping individuals at a molecular
level that is needed for new breakthroughs in cell biology and personalized medicine. 1− 3 …