Mass spectrometry‐based metabolomics

K Dettmer, PA Aronov… - Mass spectrometry …, 2007 - Wiley Online Library
This review presents an overview of the dynamically developing field of mass spectrometry‐
based metabolomics. Metabolomics aims at the comprehensive and quantitative analysis of …

A python-based pipeline for preprocessing LC–MS data for untargeted metabolomics workflows

G Riquelme, N Zabalegui, P Marchi, CM Jones… - Metabolites, 2020 - mdpi.com
Preprocessing data in a reproducible and robust way is one of the current challenges in
untargeted metabolomics workflows. Data curation in liquid chromatography–mass …

Analytical techniques in metabolomics

A David, P Rostkowski - Environmental metabolomics, 2020 - Elsevier
Recent advances in metabolomics-based approaches using liquid or gas chromatography
coupled to high-resolution mass spectrometry (HRMS) offer exciting perspectives to detect …

MET-IDEA: data extraction tool for mass spectrometry-based metabolomics

CD Broeckling, IR Reddy, AL Duran, X Zhao… - Analytical …, 2006 - ACS Publications
A current and significant limitation to metabolomics is the large-scale, high-throughput
conversion of raw chromatographically coupled mass spectrometry datasets into organized …

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 …

Current challenges and recent developments in mass spectrometry–based metabolomics

SL Collins, I Koo, JM Peters, PB Smith… - Annual review of …, 2021 - annualreviews.org
High-resolution mass spectrometry (MS) has advanced the study of metabolism in living
systems by allowing many metabolites to be measured in a single experiment. Although …

Ambient mass spectrometry in metabolomics

CS Clendinen, ME Monge, FM Fernández - Analyst, 2017 - pubs.rsc.org
Since the introduction of desorption electrospray ionization (DESI) mass spectrometry (MS),
ambient MS methods have seen increased use in a variety of fields from health to food …

Evaluation of human plasma sample preparation protocols for untargeted metabolic profiles analyzed by UHPLC-ESI-TOF-MS

E Rico, O González, ME Blanco, RM Alonso - Analytical and bioanalytical …, 2014 - Springer
Eight human plasma preparation protocols were evaluated for their suitability for
metabolomic studies by ultra-high-performance liquid chromatography coupled with …

Development of a plasma pseudotargeted metabolomics method based on ultra-high-performance liquid chromatography–mass spectrometry

F Zheng, X Zhao, Z Zeng, L Wang, W Lv, Q Wang… - Nature protocols, 2020 - nature.com
Untargeted methods are typically used in the detection and discovery of small organic
compounds in metabolomics research, and ultra-high-performance liquid chromatography …

Technical challenges in mass spectrometry-based metabolomics

F Matsuda - Mass spectrometry, 2016 - jstage.jst.go.jp
Metabolomics is a strategy for analysis, and quantification of the complete collection of
metabolites present in biological samples. Metabolomics is an emerging area of scientific …