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Data Processing and Analysis in Liquid Chromatography–Mass Spectrometry-Based Targeted Metabolomics

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Mass Spectrometry for Metabolomics

Part of the book series: Methods in Molecular Biology ((MIMB,volume 2571))

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Mass spectrometry (MS)-based metabolomics provides high-dimensional datasets; that is, the data include various metabolite features. Data analysis begins by converting the raw data obtained from the MS to produce a data matrix (metabolite × concentrations). This is followed by several steps, such as peak integration, alignment of multiple data, metabolite identification, and calculation of metabolite concentrations. Each step yields the analytical results and the accompanying information used for the quality assessment of the anterior steps. Thus, the measurement quality can be analyzed through data processing. Here, we introduce a typical data processing procedure and describe a method to utilize the intermediate data as quality control. Subsequently, commonly used data analysis methods for metabolomics data, such as statistical analyses, are also introduced.

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This research was funded by grants from JSPS KAKENHI (grant number 20B205) and JST OPERA (grant number JPMJOP1842).

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Correspondence to Masahiro Sugimoto .

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Sugimoto, M., Aizawa, Y., Tomita, A. (2023). Data Processing and Analysis in Liquid Chromatography–Mass Spectrometry-Based Targeted Metabolomics. In: González-Domínguez, R. (eds) Mass Spectrometry for Metabolomics. Methods in Molecular Biology, vol 2571. Humana, New York, NY.

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  • Publisher Name: Humana, New York, NY

  • Print ISBN: 978-1-0716-2698-6

  • Online ISBN: 978-1-0716-2699-3

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