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 …

Nutrimetabolomics: an integrative action for metabolomic analyses in human nutritional studies

MM Ulaszewska, CH Weinert… - Molecular nutrition & …, 2019‏ - Wiley Online Library
The life sciences are currently being transformed by an unprecedented wave of
developments in molecular analysis, which include important advances in instrumental …

Identifying metabolites by integrating metabolome databases with mass spectrometry cheminformatics

Z Lai, H Tsugawa, G Wohlgemuth, S Mehta… - Nature …, 2018‏ - nature.com
Novel metabolites distinct from canonical pathways can be identified through the integration
of three cheminformatics tools: BinVestigate, which queries the BinBase gas …

Metabolomics by gas chromatography–mass spectrometry: Combined targeted and untargeted profiling

O Fiehn - Current protocols in molecular biology, 2016‏ - Wiley Online Library
Gas chromatography–mass spectrometry (GC‐MS)–based metabolomics is ideal for
identifying and quantitating small‐molecule metabolites (< 650 Da), including small acids …

Metabolomics: small molecules that matter more

BC Muthubharathi, T Gowripriya, K Balamurugan - Molecular omics, 2021‏ - pubs.rsc.org
Metabolomics, an analytical study with high-throughput profiling, helps to understand
interactions within a biological system. Small molecules, called metabolites or metabolomes …

Navigating freely-available software tools for metabolomics analysis

R Spicer, RM Salek, P Moreno, D Cañueto… - Metabolomics, 2017‏ - Springer
Introduction The field of metabolomics has expanded greatly over the past two decades,
both as an experimental science with applications in many areas, as well as in regards to …

Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data

AA Aksenov, I Laponogov, Z Zhang, SLF Doran… - Nature …, 2021‏ - nature.com
We engineered a machine learning approach, MSHub, to enable auto-deconvolution of gas
chromatography–mass spectrometry (GC–MS) data. We then designed workflows to enable …

Quality control for plant metabolomics: reporting MSI‐compliant studies

O Fiehn, G Wohlgemuth, M Scholz, T Kind… - The Plant …, 2008‏ - Wiley Online Library
Summary The Metabolomics Standards Initiative (MSI) has recently released documents
describing minimum parameters for reporting metabolomics experiments, in order to validate …

Analytical platform for metabolome analysis of microbial cells using methyl chloroformate derivatization followed by gas chromatography–mass spectrometry

KF Smart, RBM Aggio, JR Van Houtte… - Nature protocols, 2010‏ - nature.com
This protocol describes an analytical platform for the analysis of intra-and extracellular
metabolites of microbial cells (yeast, filamentous fungi and bacteria) using gas …

Quantitative metabolomics based on gas chromatography mass spectrometry: status and perspectives

MM Koek, RH Jellema, J van der Greef, AC Tas… - Metabolomics, 2011‏ - Springer
Metabolomics involves the unbiased quantitative and qualitative analysis of the complete set
of metabolites present in cells, body fluids and tissues (the metabolome). By analyzing …