Galaxy-M: A Galaxy workflow for processing and analyzing direct infusion and liquid chromatography mass spectrometry-based metabolomics data

RL Davidson, RJM Weber, H Liu, A Sharma-Oates… - …, 2016 - academic.oup.com
Background: Metabolomics is increasingly recognized as an invaluable tool in the
biological, medical and environmental sciences yet lags behind the methodological maturity …

Development of a liquid chromatography–high resolution mass spectrometry metabolomics method with high specificity for metabolite identification using all ion …

S Naz, H Gallart-Ayala, SN Reinke, C Mathon… - Analytical …, 2017 - ACS Publications
High-resolution mass spectrometry (HRMS)-based metabolomics approaches have made
significant advances. However, metabolite identification is still a major challenge with …

Untargeted metabolomics strategies—challenges and emerging directions

AC Schrimpe-Rutledge, SG Codreanu… - Journal of the …, 2016 - ACS Publications
Metabolites are building blocks of cellular function. These species are involved in enzyme-
catalyzed chemical reactions and are essential for cellular function. Upstream biological …

Eight key rules for successful data‐dependent acquisition in mass spectrometry‐based metabolomics

E Defossez, J Bourquin, S von Reuss… - Mass Spectrometry …, 2023 - Wiley Online Library
In recent years, metabolomics has emerged as a pivotal approach for the holistic analysis of
metabolites in biological systems. The rapid progress in analytical equipment, coupled to the …

Analytical strategies for LC–MS-based targeted metabolomics

W Lu, BD Bennett, JD Rabinowitz - Journal of chromatography B, 2008 - Elsevier
Recent advances in mass spectrometry are enabling improved analysis of endogenous
metabolites. Here we discuss several issues relevant to developing liquid chromatography …

Expanding coverage of the metabolome for global metabolite profiling

O Yanes, R Tautenhahn, GJ Patti… - Analytical chemistry, 2011 - ACS Publications
Mass spectrometry-based metabolomics is the comprehensive study of naturally occurring
small molecules collectively known as the metabolome. Given the vast structural diversity …

New tools and resources in metabolomics: 2016–2017

BB Misra - Electrophoresis, 2018 - Wiley Online Library
Rapid advances in mass spectrometry (MS) and nuclear magnetic resonance (NMR)‐based
platforms for metabolomics have led to an upsurge of data every single year. Newer high …

Chemical discovery in the era of metabolomics

M Sindelar, GJ Patti - Journal of the American Chemical Society, 2020 - ACS Publications
Untargeted metabolomics aims to quantify the complete set of metabolites within a biological
system, most commonly by liquid chromatography/mass spectrometry (LC/MS). Since nearly …

Recent developments along the analytical process for metabolomics workflows

C Gonzalez-Riano, D Dudzik, A Garcia… - Analytical …, 2019 - ACS Publications
We are in the midst of a shift in biological research paradigms from reductionist
methodologies that generate a hypothesis and rigorously and quantitatively measure the …

Systematic identification of conserved metabolites in GC/MS data for metabolomics and biomarker discovery

MP Styczynski, JF Moxley, LV Tong, JL Walther… - Analytical …, 2007 - ACS Publications
Analysis of metabolomic profiling data from gas chromatography− mass spectrometry
(GC/MS) measurements usually relies upon reference libraries of metabolite mass spectra to …