{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T05:00:57Z","timestamp":1789966857588,"version":"4.0.1"},"reference-count":15,"publisher":"Wiley","issue":"2","license":[{"start":{"date-parts":[[2026,9,20]],"date-time":"2026-09-20T00:00:00Z","timestamp":1789862400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,9,20]],"date-time":"2026-09-20T00:00:00Z","timestamp":1789862400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Analytical Science Advances"],"published-print":{"date-parts":[[2026,12]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>Quantitative multi\u2010target analysis of biological samples using isotope\u2010dilution liquid chromatography coupled with tandem mass spectrometry (LC\u2010MS\/MS) is widely applied in laboratory diagnostics and life sciences now. These analyses generate a large amount of metadata (e.g. ion ratios, peak width, etc.) that must be reviewed before results can be released. Until now, these complex and time\u2010consuming tasks are performed mainly by technicians without dedicated software support. To explore whether practical tools for supporting result validation and release can be developed using standard spreadsheet software. A script, named\u00a0MS Excel\u2010based evaluation macro (MSVal), was developed in Microsoft Excel. Data sets from the quantification software of an LC\u2010MS\/MS system are imported into this tool. Validation criteria as quality assurance rules for analytical series and individual samples are defined within\u00a0MSVal. The tool's functionality was evaluated using datasets from cystic fibrosis transmembrane conductance regulator (CFTR)\u2010modulator therapeutic drug monitoring (TDM) analytical series. After importing raw MS data,\u00a0MSVal\u00a0generates a list of results that meet predefined validation criteria. MSVal also produces a validation report for each analytical series. Results that do not meet validation criteria are highlighted and must be specifically addressed by the operator during the release process.\u00a0MSVal\u00a0was successfully tested with real\u2010world datasets. The development of software applications to support validation and result release in quantitative isotope\u2010dilution LC\u2010MS\/MS analysis is feasible using standard software. Further refinement and progression toward commercial solutions appear valuable to close a significant gap in the clinical application of mass spectrometry.<\/jats:p>","DOI":"10.1002\/ansa.70111","type":"journal-article","created":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T04:01:23Z","timestamp":1789963283000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Automated Metadata Review to Support Result Release in Quantitative Liquid Chromatography Coupled With Tandem Mass Spectrometry Applications"],"prefix":"10.1002","volume":"7","author":[{"given":"Verena","family":"Endt","sequence":"first","affiliation":[{"name":"Institute of Laboratory Medicine, LMU University Hospital, LMU Munich  Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5110-346X","authenticated-orcid":false,"given":"Katharina","family":"Habler","sequence":"additional","affiliation":[{"name":"Institute of Laboratory Medicine, LMU University Hospital, LMU Munich  Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2745-2475","authenticated-orcid":false,"given":"Michael","family":"Vogeser","sequence":"additional","affiliation":[{"name":"Institute of Laboratory Medicine, LMU University Hospital, LMU Munich  Munich Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,9,20]]},"reference":[{"key":"e_1_2_13_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.clinms.2018.06.001"},{"key":"e_1_2_13_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmsacl.2024.10.004"},{"key":"e_1_2_13_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.clinms.2020.02.002"},{"key":"e_1_2_13_5_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00216\u2010023\u201004648\u20100"},{"key":"e_1_2_13_6_1","doi-asserted-by":"publisher","DOI":"10.1515\/cclm\u20102025\u20101136"},{"key":"e_1_2_13_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmsacl.2024.08.002"},{"key":"e_1_2_13_8_1","unstructured":"Indigo BioAutomation accessed December 12 2025 https:\/\/www.indigobio.com\/."},{"key":"e_1_2_13_9_1","unstructured":"J.Noguez.Leveraging Technology and Force Multipliers to Enhance Efficiency in Clinical Mass Spectrometry Testing: MSACL 2025 Montreal Canada. (2025) https:\/\/www.msacl.org\/view_abstract\/view_abstract_in_program.php?id=2529&event=2025."},{"key":"e_1_2_13_10_1","unstructured":"C.Shuford.Automating Ball and Strike Calls for LC\u2010MS\/MS Clinical Diagnostic Tests: MSACL 2025 Montreal Canada. (2025) https:\/\/www.msacl.org\/view_abstract\/view_abstract_in_program.php?id=2531&event=2025."},{"key":"e_1_2_13_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cca.2023.117556"},{"key":"e_1_2_13_12_1","doi-asserted-by":"publisher","DOI":"10.1515\/cclm\u20102021\u20100724"},{"key":"e_1_2_13_13_1","doi-asserted-by":"publisher","DOI":"10.5858\/arpa.2018\u20100238\u2010OA"},{"key":"e_1_2_13_14_1","doi-asserted-by":"crossref","DOI":"10.1002\/9781119872405","volume-title":"R Programming for Mass Spectrometry: Effective and Reproducible Data Analysis","author":"Julian R. K.","year":"2025"},{"key":"e_1_2_13_15_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmsacl.2025.07.002"},{"key":"e_1_2_13_16_1","unstructured":"German Institute for Standardization (DIN) DIN SPEC 91532:2026\u201005.Basic Process Requirements for Quantitative Mass Spectrometry Analyses in Medical Diagnostic Laboratories(2026)."}],"container-title":["Analytical Science Advances"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/ansa.70111","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/ansa.70111","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/ansa.70111","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T04:01:27Z","timestamp":1789963287000},"score":1,"resource":{"primary":{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/ansa.70111"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9,20]]},"references-count":15,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2026,12]]}},"alternative-id":["10.1002\/ansa.70111"],"URL":"https:\/\/doi.org\/10.1002\/ansa.70111","archive":["Portico"],"relation":{},"ISSN":["2628-5452","2628-5452"],"issn-type":[{"value":"2628-5452","type":"print"},{"value":"2628-5452","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,9,20]]},"assertion":[{"value":"2026-05-04","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-09-15","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-09-20","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e70111"}}