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 …

High-throughput data analysis for detecting and identifying differences between samples in GC/MS-based metabolomic analyses

P Jonsson, AI Johansson, J Gullberg, J Trygg… - Analytical …, 2005 - ACS Publications
In metabolomics, the objective is to identify differences in metabolite profiles between
samples. A widely used tool in metabolomics investigations is gas chromatography− mass …

ADAP-GC 2.0: deconvolution of coeluting metabolites from GC/TOF-MS data for metabolomics studies

Y Ni, Y Qiu, W Jiang, K Suttlemyre, M Su… - Analytical …, 2012 - ACS Publications
ADAP-GC 2.0 has been developed to deconvolute coeluting metabolites that frequently exist
in real biological samples of metabolomics studies. Deconvolution is based on a …

Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices

S Alseekh, A Aharoni, Y Brotman, K Contrepois… - Nature …, 2021 - nature.com
Mass spectrometry-based metabolomics approaches can enable detection and
quantification of many thousands of metabolite features simultaneously. However …

[图书][B] Metabolomics: methods and protocols

W Weckwerth - 2008 - books.google.com
Metabolomics: Methods and Protocols examines the state-of-the-art in metabolomic
analysis. Leading researchers in the field present protocols for the application of …

Metab: an R package for high-throughput analysis of metabolomics data generated by GC-MS

R Aggio, SG Villas− Bôas, K Ruggiero - Bioinformatics, 2011 - academic.oup.com
Abstract Motivation: The Automated Mass Spectral Deconvolution and Identification System
(AMDIS) is freeware extensively applied in metabolomics. However, datasets processed by …

Standardizing gc–ms metabolomics

H Kanani, PK Chrysanthopoulos, MI Klapa - Journal of Chromatography B, 2008 - Elsevier
Metabolomics being the most recently introduced “omic” analytical platform is currently at its
development phase. For the metabolomics to be broadly deployed to biological and clinical …

Low and high resolution gas chromatography-mass spectrometry for untargeted metabolomics: A tutorial

F Rey-Stolle, D Dudzik, C Gonzalez-Riano… - Analytica Chimica …, 2022 - Elsevier
GC-MS for untargeted metabolomics is a well-established technique. Small molecules and
molecules made volatile by derivatization can be measured and those compounds are key …

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 …

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 …