{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,17]],"date-time":"2026-10-17T09:48:39Z","timestamp":1792230519556,"version":"4.4.0"},"reference-count":14,"publisher":"Springer Science and Business Media LLC","license":[{"start":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T00:00:00Z","timestamp":1788307200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"},{"start":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T00:00:00Z","timestamp":1788307200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Anal Bioanal Chem"],"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    The evolution of metabolomics, a field aimed at comprehensively measuring the small organic molecule composition of a biological matrix, fundamentally reshaped the landscape of analytical measurement reliability. The 2011 release of Standard Reference Material (SRM) 1950 Metabolites in Frozen Human Plasma by the National Institute of Standards and Technology (NIST) marked the first reference material providing certification for 45 analytes to address the measurement precision of complex biological matrices. Assigning high-order values to many compounds is highly resource-intensive for a National Metrology Institute. Furthermore, certified values for individual metabolites cannot resolve the broad challenges associated with sample processing, analytical measurement, and data processing in untargeted workflows. The metabolomics community recognized the potential for SRM 1950 to serve as a benchmark material for method development and technical quality control (QC) rather than strictly for quantification. Recognizing this consumer-driven shift, NIST launched a novel reference material (RM) development strategy to provide accessible, fit-for-purpose materials evaluated by a new statistical framework for production homogeneity, the Coefficient of Disagreement. Here, we introduce the transition toward matrix-specific\n                    <jats:italic>QC Suites<\/jats:italic>\n                    featuring phenotypically distinct metabolite profiles, the first generation of which includes a human plasma suite, urine suite, liver suite, and fecal material. By prioritizing efficient production and embracing a community engagement model for consensus-based deep characterization, these suites offer a reliable tool for laboratory comparisons, instrument assessment, software development, and training. This new class of RMs underpins the next phase of measurement reliability, complementing traditional measurand certification while supporting the diverse needs of comprehensive metabolic profiling.\n                  <\/jats:p>\n                  <jats:p>\n                    <jats:bold>Graphical abstract<\/jats:bold>\n                  <\/jats:p>\n                  <jats:p>Photo credit: Amanda Bayless<\/jats:p>","DOI":"10.1007\/s00216-026-06769-8","type":"journal-article","created":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T13:55:59Z","timestamp":1788357359000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Redefining reference materials for the evolving metabolomics landscape"],"prefix":"10.1007","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1808-7816","authenticated-orcid":false,"given":"Tracey B.","family":"Schock","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2378-375X","authenticated-orcid":false,"given":"Fabio","family":"Casu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9765-7559","authenticated-orcid":false,"given":"Ashley S. P.","family":"Boggs","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9073-5582","authenticated-orcid":false,"given":"Amanda L.","family":"Bayless","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5198-9945","authenticated-orcid":false,"given":"Hariharan","family":"Iyer","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4919-4841","authenticated-orcid":false,"given":"Kristine","family":"Gierz","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9076-2620","authenticated-orcid":false,"given":"W. Clay","family":"Davis","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2026,9,2]]},"reference":[{"key":"6769_CR1","doi-asserted-by":"publisher","first-page":"263","DOI":"10.1038\/nrm3314","volume":"13","author":"GJ Patti","year":"2012","unstructured":"Patti GJ, Yanes O, Siuzdak G. Metabolomics: the apogee of the omics trilogy. Nat Rev Mol Cell Biol. 2012;13:263\u20139. https:\/\/doi.org\/10.1038\/nrm3314.","journal-title":"Nat Rev Mol Cell Biol"},{"key":"6769_CR2","doi-asserted-by":"publisher","first-page":"747","DOI":"10.1038\/s41592-021-01197-1","volume":"18","author":"S Alseekh","year":"2021","unstructured":"Alseekh S, Aharoni A, Brotman Y, Contrepois K, D\u2019Auria J, Ewald J, et al. Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices. Nat Methods. 2021;18:747\u201356. https:\/\/doi.org\/10.1038\/s41592-021-01197-1.","journal-title":"Nat Methods"},{"key":"6769_CR3","doi-asserted-by":"publisher","first-page":"11732","DOI":"10.1021\/ac402689t","volume":"85","author":"KW Phinney","year":"2013","unstructured":"Phinney KW, Ballihaut G, Bedner M, Benford BS, Camara JE, Christopher SJ, et al. Development of a standard reference material for metabolomics research. Anal Chem. 2013;85:11732\u20138. https:\/\/doi.org\/10.1021\/ac402689t.","journal-title":"Anal Chem"},{"key":"6769_CR4","doi-asserted-by":"publisher","DOI":"10.1007\/s11306-021-01848-6","volume":"18","author":"KA Lippa","year":"2022","unstructured":"Lippa KA, Aristizabal-Henao JJ, Beger RD, Bowden JA, Broeckling C, Beecher C, et al. Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC). Metabolomics. 2022;18:24. https:\/\/doi.org\/10.1007\/s11306-021-01848-6.","journal-title":"Metabolomics"},{"issue":"6","key":"6769_CR5","doi-asserted-by":"publisher","first-page":"72","DOI":"10.1007\/s11306-018-1367-3","volume":"14","author":"D Broadhurst","year":"2018","unstructured":"Broadhurst D, Goodacre R, Reinke SN, Kuligowski J, Wilson ID, Lewis MR, et al. Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies. Metabolomics. 2018;14:72. https:\/\/doi.org\/10.1007\/s11306-018-1367-3.","journal-title":"Metabolomics"},{"key":"6769_CR6","doi-asserted-by":"publisher","first-page":"416","DOI":"10.3390\/metabo10100416","volume":"10","author":"G Riquelme","year":"2020","unstructured":"Riquelme G, Zabalegui N, Marchi P, Jones CM, Monge ME. A Python-based pipeline for preprocessing LC\u2013MS data for untargeted metabolomics workflows. Metabolites. 2020;10:416. https:\/\/doi.org\/10.3390\/metabo10100416.","journal-title":"Metabolites"},{"key":"6769_CR7","doi-asserted-by":"publisher","first-page":"7373","DOI":"10.1007\/s00216-020-02910-3","volume":"412","author":"JJ Aristizabal-Henao","year":"2020","unstructured":"Aristizabal-Henao JJ, Jones CM, Lippa KA, Bowden JA. Nontargeted lipidomics of novel human plasma reference materials: hypertriglyceridemic, diabetic, and African-American. Anal Bioanal Chem. 2020;412:7373\u201380. https:\/\/doi.org\/10.1007\/s00216-020-02910-3.","journal-title":"Anal Bioanal Chem"},{"key":"6769_CR8","doi-asserted-by":"publisher","unstructured":"Gills T, Rook H, Durst, R, Goldstein G. The national environmental specimen bank research program for sampling, storage, and analysis.\u00a01979. EPA-600\/1\u201379\u2013017.\u00a0https:\/\/doi.org\/10.6028\/NBS.IR.79-1704","DOI":"10.6028\/NBS.IR.79-1704"},{"key":"6769_CR9","doi-asserted-by":"publisher","unstructured":"Servetas S, Forry S, Hunter M, Dootz J, Schock T, Davis W, Bayless A, Casu F, Ellisor D, Urbas A, Da Silva S, Parratt K, Gierz K, Iyer H, Jackson S, Lin N. Characterization of human fecal material (RM 8048) from omnivore and vegetarian donors. Nat Inst Stand Technol Gaithersburg, MD.\u00a02026. NIST SP 260\u2013252.\u00a0https:\/\/doi.org\/10.6028\/NIST.SP.260-252.","DOI":"10.6028\/NIST.SP.260-252"},{"key":"6769_CR10","doi-asserted-by":"publisher","unstructured":"Beauchamp CR, Camara JE, Carney J, Choquette SJ, Cole KD, DeRose PC, Duewer DL, Epstein MS, Kline MC, Lippa KA, Lucon E, Molloy J, Nelson MA, Phinney KW, Polakoski M, Possolo A, Sander LC, Schiel JE, Sharpless KE, Toman B, Winchester MR, Windover D. Metrological tools for the reference materials and reference instruments of the NIST Material Measurement Laboratory. National Institute of Standards and Technology (U.S.), Gaithersburg, MD.\u00a02021. NIST SP 260\u2013136\u20132021. https:\/\/doi.org\/10.6028\/NIST.SP.260-136-2021.","DOI":"10.6028\/NIST.SP.260-136-2021"},{"key":"6769_CR11","doi-asserted-by":"publisher","first-page":"79","DOI":"10.1007\/s42519-025-00490-y","volume":"19","author":"K Gierz","year":"2025","unstructured":"Gierz K. The gut check: on stability and homogeneity methods for reference materials. J Stat Theory Pract. 2025;19:79. https:\/\/doi.org\/10.1007\/s42519-025-00490-y.","journal-title":"J Stat Theory Pract"},{"key":"6769_CR12","doi-asserted-by":"publisher","first-page":"269","DOI":"10.1007\/s00769-024-01602-0","volume":"29","author":"S Trapmann","year":"2024","unstructured":"Trapmann S, Ellison SLR, Davis WC, Possolo A, Zheng J, Botha A. Approaches for the production of reference materials with qualitative properties\u2014the new International Standard ISO 33406. Accredit Qual Assur. 2024;29:269\u201376. https:\/\/doi.org\/10.1007\/s00769-024-01602-0.","journal-title":"Accredit Qual Assur"},{"key":"6769_CR13","doi-asserted-by":"publisher","first-page":"211","DOI":"10.1007\/s11306-007-0082-2","volume":"3","author":"LW Sumner","year":"2007","unstructured":"Sumner LW, Amberg A, Barrett D, Beale MH, Beger R, Daykin CA, et al. Proposed minimum reporting standards for chemical analysis. Metabolomics. 2007;3:211\u201321. https:\/\/doi.org\/10.1007\/s11306-007-0082-2.","journal-title":"Metabolomics"},{"key":"6769_CR14","doi-asserted-by":"publisher","first-page":"2275","DOI":"10.1194\/jlr.M079012","volume":"58","author":"JA Bowden","year":"2017","unstructured":"Bowden JA, Heckert A, Ulmer CZ, Jones CM, Koelmel JP, Abdullah L, et al. Harmonizing lipidomics: NIST interlaboratory comparison exercise for lipidomics using SRM 1950\u2013metabolites in frozen human plasma[S]. J Lipid Res. 2017;58:2275\u201388. https:\/\/doi.org\/10.1194\/jlr.M079012.","journal-title":"J Lipid Res"}],"container-title":["Analytical and Bioanalytical Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s00216-026-06769-8.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s00216-026-06769-8","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s00216-026-06769-8.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T13:56:00Z","timestamp":1788357360000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s00216-026-06769-8"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9,2]]},"references-count":14,"alternative-id":["6769"],"URL":"https:\/\/doi.org\/10.1007\/s00216-026-06769-8","relation":{},"ISSN":["1618-2642","1618-2650"],"issn-type":[{"value":"1618-2642","type":"print"},{"value":"1618-2650","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,9,2]]},"assertion":[{"value":"24 June 2026","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"13 August 2026","order":2,"name":"revised","label":"Revised","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"18 August 2026","order":3,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"2 September 2026","order":4,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"The authors declare no competing interests.","order":1,"name":"Ethics","label":"Conflict of interest","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"Certain commercial equipment, instruments, or materials are identified in this paper in order to specify the experimental procedure adequately. Such identification is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that the materials or equipment identified are necessarily the best available for the purpose.","order":2,"name":"Ethics","label":"NIST disclaimer","group":{"name":"EthicsHeading","label":"Declarations"}}]}}