Integration of GC–MS and LC–MS for untargeted metabolomics profiling

ÖC Zeki, CC Eylem, T Reçber, S Kır… - Journal of Pharmaceutical …, 2020 - Elsevier
Recently, metabolomics analyses have become increasingly common in the general
scientific community as it is applied in several researches relating to diseases diagnosis …

Mass spectral databases for LC/MS-and GC/MS-based metabolomics: State of the field and future prospects

M Vinaixa, EL Schymanski, S Neumann… - TrAC Trends in …, 2016 - Elsevier
At present, mass spectrometry (MS)-based metabolomics has been widely used to obtain
new insights into human, plant, and microbial biochemistry; drug and biomarker discovery; …

Predicting network activity from high throughput metabolomics

S Li, Y Park, S Duraisingham, FH Strobel… - PLoS computational …, 2013 - journals.plos.org
The functional interpretation of high throughput metabolomics by mass spectrometry is
hindered by the identification of metabolites, a tedious and challenging task. We present a …

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 annotation of a metabolomics data set reduces 25 000 features to fewer than 1000 unique metabolites

NG Mahieu, GJ Patti - Analytical chemistry, 2017 - ACS Publications
When using liquid chromatography/mass spectrometry (LC/MS) to perform untargeted
metabolomics, it is now routine to detect tens of thousands of features from biological …

Modern analytical techniques in metabolomics analysis

A Zhang, H Sun, P Wang, Y Han, X Wang - Analyst, 2012 - pubs.rsc.org
Metabolomics is the comprehensive assessment of endogenous metabolites and attempts to
systematically identify and quantify metabolites from a biological sample. Small-molecule …

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 …

[PDF][PDF] High resolution mass spectrometry improves data quantity and quality as compared to unit mass resolution mass spectrometry in high-throughput profiling …

AM Evans, BR Bridgewater, Q Liu, MW Mitchell… - …, 2014 - researchgate.net
Metabolomics is a technique in which the small molecule component from a biological
source material is analyzed for changes resulting from some set of test conditions. Liquid …

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 appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics

WB Dunn, A Erban, RJM Weber, DJ Creek, M Brown… - Metabolomics, 2013 - Springer
Metabolomics has advanced significantly in the past 10 years with important developments
related to hardware, software and methodologies and an increasing complexity of …