ArticleMetabolomics : Official journal of the Metabolomic Society2022
An optimization method for untargeted MS-based isotopic tracing investigations of metabolism.
Article in Metabolomics : Official journal of the Metabolomic Society, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- eMZed 3: flexible and interactive development of scalable LC-MS/MS data analysis workflows in python.Bioinformatics advances · 2026Article
- Untargeted stable isotope-resolved metabolomics to assess the effect of PI3Kβ inhibition on metabolic pathway activities in a PTEN null breast cancer cell line.Frontiers in molecular biosciences · 2022Article
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4 authors.
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Abstract
introductionStable isotope tracer studies are increasingly applied to explore metabolism from the detailed analysis of tracer incorporation into metabolites. Untargeted LC/MS approaches have recently emerged and provide potent methods for expanding the dimension and complexity of the metabolic networks that can be investigated. A number of software tools have been developed to process the highly complex MS data collected in such studies; however, a method to optimize the extraction of valuable isotopic data is lacking.
objectivesTo develop and validate a method to optimize automated data processing for untargeted MS-based isotopic tracing investigations of metabolism.
methodsThe method is based on the application of a suitable reference material to rationally perform parameter optimization throughout the complete data processing workflow. It was applied in the context of
resultsThe optimization methodology provided significant gain in the number and quality of extracted isotopic data, independently of the software considered. Pascal triangle samples are well suited for such purpose since they allow both the identification of analytical issues and optimization of data processing at the same time.
conclusionThe proposed method maximizes the biological value of untargeted MS-based isotopic tracing investigations by revealing the full metabolic information that is encoded in the labelling patterns of metabolites.
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