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 …

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 …

[HTML][HTML] Recurrent topics in mass spectrometry-based metabolomics and lipidomics—standardization, coverage, and throughput

E Rampler, YE Abiead, H Schoeny, M Rusz… - Analytical …, 2020 - ACS Publications
We have come a long way in the last years of developing analytical strategies in
metabolomics. We have seen huge progress in tackling multiplatform measurement, data …

Metabolite identification and quantitation in LC-MS/MS-based metabolomics

JF Xiao, B Zhou, HW Ressom - TrAC Trends in Analytical Chemistry, 2012 - Elsevier
Metabolomics aims at detection and quantitation of all metabolites in biological samples.
The presence of metabolites with a wide variety of physicochemical properties and different …

Overview of mass spectrometry-based metabolomics: opportunities and challenges

GAN Gowda, D Djukovic - Mass Spectrometry in Metabolomics: Methods …, 2014 - Springer
The field of metabolomics has witnessed an exponential growth in the last decade driven by
important applications spanning a wide range of areas in the basic and life sciences and …

Data processing for mass spectrometry-based metabolomics

M Katajamaa, M Orešič - Journal of chromatography A, 2007 - Elsevier
Modern analytical technologies afford comprehensive and quantitative investigation of a
multitude of different metabolites. Typical metabolomic experiments can therefore produce …

[HTML][HTML] metaX: a flexible and comprehensive software for processing metabolomics data

B Wen, Z Mei, C Zeng, S Liu - BMC bioinformatics, 2017 - Springer
Background Non-targeted metabolomics based on mass spectrometry enables high-
throughput profiling of the metabolites in a biological sample. The large amount of data …

Increasing selectivity and coverage in LC-MS based metabolome analysis

K Ortmayr, TJ Causon, S Hann… - TrAC Trends in Analytical …, 2016 - Elsevier
The term non-targeted metabolomics implies a global and unbiased analysis. This involves
the complex (and yet not routine) task of correct alignment and eventually annotation of …

Metabolite identification for mass spectrometry-based metabolomics using multiple types of correlated ion information

KS Lynn, ML Cheng, YR Chen, C Hsu, A Chen… - Analytical …, 2015 - ACS Publications
Metabolite identification remains a bottleneck in mass spectrometry (MS)-based
metabolomics. Currently, this process relies heavily on tandem mass spectrometry (MS/MS) …

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 …