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Publication Citation: Metabolite Profiling of a NIST Standard Reference Material for Human Plasma (SRM 1950) ‹ GC/MS, LC/MS, NMR and Clinical Laboratory Analyses, Libraries and Web-based resources

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Author(s): Yamil Simon; Mark S. Lowenthal; Lisa E. Kilpatrick; Maureen L. Sampson; Kelly H. Telu; Paul A. Rudnick; William G. Mallard; Daniel W. Bearden; Tracey B. Schock; Dmitrii V. Tchekhovskoi; Niksa Blonder; Xinjian Yan; Yuxue Liang; Yufang Zheng; William E. Wallace III; Pedatsur Neta; Karen W. Phinney; Alan T. Remaley; Stephen E. Stein;
Title: Metabolite Profiling of a NIST Standard Reference Material for Human Plasma (SRM 1950) ‹ GC/MS, LC/MS, NMR and Clinical Laboratory Analyses, Libraries and Web-based resources
Published: October 22, 2013
Abstract: Recent progress in metabolomics and the development of increasingly sensitive analytical techniques have renewed interest in global profiling, i.e., semi-quantitative monitoring of all chemical constituents of biological fluids. In this work, we have performed global profiling of NIST SRM 1950, ,Metabolites in Human PlasmaŠ, using GC-MS, LC-MS and NMR; Metabolome coverage, difficulties and reproducibility of the experiments on each platform are discussed. A total of 364 metabolites have been identified in this material. GC-MS provides 65 unique identifications, and most of the identifications from NMR overlap with the LC-MS identifications, except for some small sugars that are not directly found by LC-MS. Also, run-to-run, batch-to-batch, and inter-laboratory comparisons show that the SRM 1950 profiling is reproducible enough to consider this material as a good choice to distinguish between analytical and biological variability. Clinical laboratory data shows that most tests are within the recommended ranges, despite its pooled source. In-house computational tools have been developed or modified for MS data processing and interactive web display. All data and programs are freely available online at http:/srmd.nist.gov/.
Citation: Analytical Chemistry
Volume: 85
Issue: 24
Pages: pp. 11725 - 11731
Keywords: Metabolite profiling; Standard reference material; SRM 1950; LC/MS analysis; GC/MS analysis; NMR analysis; Human plasma; Metabolomics
Research Areas: Biological Product Characterization