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Journal Article Ppublish 3 citations

PubMed: 39757418 DOI: 10.1021/acs.analchem.4c05018

Comprehensive, Quantitative Analysis of SRM 1950: the NIST Human Plasma Reference Material.

Anal Chem 97(1):667-675

Authors: Rupasri Mandal, Jiamin Zheng, Lun Zhang, Eponine Oler, Marcia A LeVatte, Mark Berjanskii, Matthias Lipfert, Jun Han, Christoph H Borchers, David S Wishart

Affiliations

  • Department of Biological Sciences, University of Alberta, Edmonton, Alberta T6G 2E9, Canada.
  • Department of Biochemistry & Microbiology, University of Victoria, Victoria, British Columbia V8W 2Y2, Canada.
  • UVic-Genome BC Proteomics Centre, Victoria, British Columbia V8Z 7X8, Canada.
  • Lady Davis Institute, Jewish General Hospital, Division of Experimental Medicine, McGill University, Montreal, Quebec H3T 1E4, Canada.

Abstract

Many analytical methods have been developed for performing targeted metabolomics. By combining multiple analytical techniques, comprehensive coverage of the metabolome can be achieved. We combined multiple analytical techniques to comprehensively and quantitatively characterize the widely studied NIST human plasma reference material, SRM 1950. Our goal was to provide a large, well-validated list of confident metabolite concentration values (i.e., benchmarks) to assist the metabolomics community in its calibration and comparison efforts. We used four analytical platforms: high-resolution NMR spectroscopy, direct injection tandem MS (DI-MS/MS), liquid chromatography tandem MS (LC-MS/MS), and inductively coupled plasma MS (ICP-MS). Eight validated analytical assays were run, yielding accurate quantitative measurements for 728 unique metabolites or metabolite species. Through computer-aided literature mining, we identified another 330 unique metabolites previously quantified in SRM 1950. We compared NIST-certified values along with literature-derived concentrations/ranges to the metabolite concentrations measured by our four platforms and eight assays. From these assays/platforms, we generated a list of high-confidence concentration values of 1058 metabolites or metabolite species in SRM 1950 including data for 60 amino acids/related compounds, 48 bile acids, 72 amines/sugars/alcohols, 21 metals, 8 catecholamines, 11 vitamins, 92 organic acids, 40 fatty acids/steroids/nucleobases/indole derivatives, 5 polyfluorinated compounds, 7 carotenoids, 39 acylcarnitines, 76 oxylipins, 13 sterols, and 566 lipids/lipid species. This data set represents the most complete quantitative characterization of SRM 1950. An online database (SRM1950-DB) containing 1058 plasma metabolites/metabolite species in SRM 1950, their structures, HMDB IDs, mass, chemical class, concentrations, references, and reliability is freely available at https://srm1950-data.wishartlab.com.

MeSH

Amines, Metabolomics, Plasma

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