“Notame”: workflow for non-targeted LC–MS metabolic profiling

A Klåvus, M Kokla, S Noerman, VM Koistinen… - Metabolites, 2020 - mdpi.com
Metabolomics analysis generates vast arrays of data, necessitating comprehensive
workflows involving expertise in analytics, biochemistry and bioinformatics in order to …

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 …

Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics

WB Dunn, A Erban, RJM Weber, DJ Creek, M Brown… - Metabolomics, 2013 - Springer
Metabolomics has advanced significantly in the past 10 years with important developments
related to hardware, software and methodologies and an increasing complexity of …

MetaboLyzer: a novel statistical workflow for analyzing postprocessed LC–MS metabolomics data

TD Mak, EC Laiakis, M Goudarzi… - Analytical …, 2014 - ACS Publications
Metabolomics, the global study of small molecules in a particular system, has in the past few
years risen to become a primary-omics platform for the study of metabolic processes. With …

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 …

XCMS Online: a web-based platform to process untargeted metabolomic data

R Tautenhahn, GJ Patti, D Rinehart… - Analytical …, 2012 - ACS Publications
Recently, interest in untargeted metabolomics has become prevalent in the general scientific
community among an increasing number of investigators. The majority of these …

muma, an R package for metabolomics univariate and multivariate statistical analysis

E Gaude, F Chignola, D Spiliotopoulos… - Current …, 2013 - ingentaconnect.com
Metabolomics, similarly to other high-throughput “-omics” techniques, generates large arrays
of data, whose analysis and interpretation can be difficult and not always straightforward …

Metabolomics technologies and metabolite identification

S Moco, J Vervoort, RJ Bino, RCH De Vos… - TrAC Trends in Analytical …, 2007 - Elsevier
Metabolomics studies rely on the analysis of the multitude of small molecules (metabolites)
present in a biological system. Most commonly, metabolomics is heavily supported by mass …

Data-processing strategies for metabolomics studies

MMWB Hendriks, FA van Eeuwijk, RH Jellema… - TrAC Trends in …, 2011 - Elsevier
Metabolomics studies aim at a better understanding of biochemical processes by studying
relations between metabolites and between metabolites and other types of information (eg …

Analytical methods for mass spectrometry-based metabolomics studies

S Wang, IA Blair, C Mesaros - Advancements of Mass Spectrometry in …, 2019 - Springer
The advancement of mass spectrometry-based analytical platform largely facilitates small-
molecule metabolomics studies, which allows simultaneously analysis of a large number of …