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Metabolites 2017, 7(3), 45; doi:10.3390/metabo7030045

Recommendations for Improving Identification and Quantification in Non-Targeted, GC-MS-Based Metabolomic Profiling of Human Plasma

Duke Molecular Physiology Institute, Duke University School of Medicine, Durham, NC 27701, USA
Department of Surgery, Duke University School of Medicine, Durham, NC 27710, USA
Division of Cardiology, Department of Medicine, Duke University School of Medicine, Durham, NC 27710, USA
Authors to whom correspondence should be addressed.
Received: 29 June 2017 / Revised: 18 August 2017 / Accepted: 23 August 2017 / Published: 25 August 2017
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The field of metabolomics as applied to human disease and health is rapidly expanding. In recent efforts of metabolomics research, greater emphasis has been placed on quality control and method validation. In this study, we report an experience with quality control and a practical application of method validation. Specifically, we sought to identify and modify steps in gas chromatography-mass spectrometry (GC-MS)-based, non-targeted metabolomic profiling of human plasma that could influence metabolite identification and quantification. Our experimental design included two studies: (1) a limiting-dilution study, which investigated the effects of dilution on analyte identification and quantification; and (2) a concentration-specific study, which compared the optimal plasma extract volume established in the first study with the volume used in the current institutional protocol. We confirmed that contaminants, concentration, repeatability and intermediate precision are major factors influencing metabolite identification and quantification. In addition, we established methods for improved metabolite identification and quantification, which were summarized to provide recommendations for experimental design of GC-MS-based non-targeted profiling of human plasma. View Full-Text
Keywords: metabolomic profiling; GC-MS; human plasma metabolomic profiling; GC-MS; human plasma

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Wang, H.; Muehlbauer, M.J.; O’Neal, S.K.; Newgard, C.B.; Hauser, E.R.; Bain, J.R.; Shah, S.H. Recommendations for Improving Identification and Quantification in Non-Targeted, GC-MS-Based Metabolomic Profiling of Human Plasma. Metabolites 2017, 7, 45.

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