Mass-spectrometry based metabolomics: an overview of workflows, strategies, data analysis and applications

Abstract Background Metabolomics, a burgeoning field within systems biology, focuses on the comprehensive study of small molecules present in biological systems. Mass spectrometry (MS) has emerged as a powerful tool for metabolomic analysis due to its high sensitivity, resolution, and ability to cha...

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Main Authors: Kosar Hajnajafi, Mohammad Askandar Iqbal
Format: Article
Language:English
Published: BMC 2025-05-01
Series:Proteome Science
Subjects:
Online Access:https://doi.org/10.1186/s12953-025-00241-8
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author Kosar Hajnajafi
Mohammad Askandar Iqbal
author_facet Kosar Hajnajafi
Mohammad Askandar Iqbal
author_sort Kosar Hajnajafi
collection DOAJ
description Abstract Background Metabolomics, a burgeoning field within systems biology, focuses on the comprehensive study of small molecules present in biological systems. Mass spectrometry (MS) has emerged as a powerful tool for metabolomic analysis due to its high sensitivity, resolution, and ability to characterize a wide range of metabolites thus offering deep insights into the metabolic profiles of living systems. Aim of review This review provides an overview of the methodologies, workflows, strategies, data analysis techniques, and applications associated with mass spectrometry-based metabolomics. Key scientific concepts of review We discuss workflows, key strategies, experimental procedures, data analysis techniques, and diverse applications of metabolomics in various research domains. Nuances of sample preparation, metabolite extraction, separation using chromatographic techniques, mass spectrometry analysis, and data processing are elaborated. Moreover, standards, quality controls, metabolite annotation, software for statistical and pathway analysis are also covered. In conclusion, this review aims to facilitate the understanding and adoption of mass spectrometry-based metabolomics by newcomers and researchers alike by providing a foundational understanding and insights into the current state and future directions of this dynamic field.
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spelling doaj-art-d7dbe3293c7b4bb0806c20aa754022a72025-08-20T01:59:57ZengBMCProteome Science1477-59562025-05-0123111510.1186/s12953-025-00241-8Mass-spectrometry based metabolomics: an overview of workflows, strategies, data analysis and applicationsKosar Hajnajafi0Mohammad Askandar Iqbal1Thumbay Research Institute for Precision Medicine, Gulf Medical UniversityThumbay Research Institute for Precision Medicine, Gulf Medical UniversityAbstract Background Metabolomics, a burgeoning field within systems biology, focuses on the comprehensive study of small molecules present in biological systems. Mass spectrometry (MS) has emerged as a powerful tool for metabolomic analysis due to its high sensitivity, resolution, and ability to characterize a wide range of metabolites thus offering deep insights into the metabolic profiles of living systems. Aim of review This review provides an overview of the methodologies, workflows, strategies, data analysis techniques, and applications associated with mass spectrometry-based metabolomics. Key scientific concepts of review We discuss workflows, key strategies, experimental procedures, data analysis techniques, and diverse applications of metabolomics in various research domains. Nuances of sample preparation, metabolite extraction, separation using chromatographic techniques, mass spectrometry analysis, and data processing are elaborated. Moreover, standards, quality controls, metabolite annotation, software for statistical and pathway analysis are also covered. In conclusion, this review aims to facilitate the understanding and adoption of mass spectrometry-based metabolomics by newcomers and researchers alike by providing a foundational understanding and insights into the current state and future directions of this dynamic field.https://doi.org/10.1186/s12953-025-00241-8MetabolomicsMass spectrometryLC–MSMetabolitesMetabolic fingerprintingAnalytes
spellingShingle Kosar Hajnajafi
Mohammad Askandar Iqbal
Mass-spectrometry based metabolomics: an overview of workflows, strategies, data analysis and applications
Proteome Science
Metabolomics
Mass spectrometry
LC–MS
Metabolites
Metabolic fingerprinting
Analytes
title Mass-spectrometry based metabolomics: an overview of workflows, strategies, data analysis and applications
title_full Mass-spectrometry based metabolomics: an overview of workflows, strategies, data analysis and applications
title_fullStr Mass-spectrometry based metabolomics: an overview of workflows, strategies, data analysis and applications
title_full_unstemmed Mass-spectrometry based metabolomics: an overview of workflows, strategies, data analysis and applications
title_short Mass-spectrometry based metabolomics: an overview of workflows, strategies, data analysis and applications
title_sort mass spectrometry based metabolomics an overview of workflows strategies data analysis and applications
topic Metabolomics
Mass spectrometry
LC–MS
Metabolites
Metabolic fingerprinting
Analytes
url https://doi.org/10.1186/s12953-025-00241-8
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