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 Plasma, 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
Pub Type: Journals
Metabolite profiling, Standard reference material, SRM 1950, LC/MS analysis, GC/MS analysis, NMR analysis, Human plasma, Metabolomics