期刊
ANALYTICAL CHEMISTRY
卷 90, 期 2, 页码 1363-1369出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.analchem.7b04400
关键词
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资金
- Simons Foundation [385428, 329108]
- NSF [OCE-1228770, OCE-1205232]
- NSF GRFP
- NSF IGERT Program on Ocean Change
The goal of metabolomics is to measure the entire range of small organic molecules in biological samples. In liquid chromatography mass spectrometry-based metabolomics, formidable analytical challenges remain in removing the nonbiological factors that affect chromatographic peak areas. These factors include sample matrix-induced ion suppression, chromatographic quality, and analytical drift. The combination of these factors is referred to as Obscuring variation. Some metabolomics samples can exhibit intense obscuring variation due to matrix-induced ion suppression, rendering large amounts of data,unreliible and difficult to interpret. Existing normalization techniques have limited applicability to these sample types. Here we present a data normalization method to minimize the effects of obscuring variation. We normalize peak areas using a batch-specific normalization process, which matches measured metabolites with isotope-labeled internal standards that behave similarly during the analysis. This method, called best-matched internal-standard (B-MIS) normalization, can be applied to targeted or untargeted metabolomics data sets and yields relative concentrations. We evaluate and demonstrate the utility of B-MIS normalization using marine environmental samples and laboratory grown: cultures of phytoplankton. In untargeted analyses, B-MIS normalization allowed for inclusion of mass features in downstream analyses that would have been considered unreliable without normalization due to obscuring variation. B-MIS normalization for targeted or untargeted metabolomics is freely available at https://github.com/IngallsLabUVV/B-MIS-normalization.
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