"notame": Workflow for Non-Targeted LC-MS Metabolic Profiling.
LC–MS
computational statistical
mass spectrometry
metabolic profiling
metabolomics
pathway analysis
supervised learning
unsupervised learning
Journal
Metabolites
ISSN: 2218-1989
Titre abrégé: Metabolites
Pays: Switzerland
ID NLM: 101578790
Informations de publication
Date de publication:
31 Mar 2020
31 Mar 2020
Historique:
received:
02
03
2020
revised:
25
03
2020
accepted:
28
03
2020
entrez:
5
4
2020
pubmed:
5
4
2020
medline:
5
4
2020
Statut:
epublish
Résumé
Metabolomics analysis generates vast arrays of data, necessitating comprehensive workflows involving expertise in analytics, biochemistry and bioinformatics in order to provide coherent and high-quality data that enable discovery of robust and biologically significant metabolic findings. In this protocol article, we introduce notame, an analytical workflow for non-targeted metabolic profiling approaches, utilizing liquid chromatography-mass spectrometry analysis. We provide an overview of lab protocols and statistical methods that we commonly practice for the analysis of nutritional metabolomics data. The paper is divided into three main sections: the first and second sections introducing the background and the study designs available for metabolomics research and the third section describing in detail the steps of the main methods and protocols used to produce, preprocess and statistically analyze metabolomics data and, finally, to identify and interpret the compounds that have emerged as interesting.
Identifiants
pubmed: 32244411
pii: metabo10040135
doi: 10.3390/metabo10040135
pmc: PMC7240970
pii:
doi:
Types de publication
Journal Article
Langues
eng
Déclaration de conflit d'intérêts
The authors declare no conflict of interest. The funders had no role in the design of the study; in the collection, analyses or interpretation of data; in the writing of the manuscript; or in the decision to publish the results. K.H., O.K., V.M.K., A.K. and J.P. are owners of a spin-off company providing metabolomics services, Afekta Technologies Ltd.
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