{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,3]],"date-time":"2025-12-03T03:37:42Z","timestamp":1764733062976,"version":"3.37.3"},"reference-count":24,"publisher":"Oxford University Press (OUP)","issue":"5","license":[{"start":{"date-parts":[[2024,2,28]],"date-time":"2024-02-28T00:00:00Z","timestamp":1709078400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/pages\/standard-publication-reuse-rights"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2024,6,11]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>An unidentified compound in putrefied postmortem blood samples showed identical accurate mass and chromatographic behavior as 3,4-methylenedioxyamphetamine (MDA) and led to false-positive preliminary screening results. The aim of the study was to identify this unknown interference. Postmortem blood samples were analyzed after protein precipitation on a QExactive Focus high-resolution mass spectrometer (Thermo Fisher, Germany) coupled to a RP C18 column (Macherey-Nagel, Germany). Based on the analysis of mass spectrometry (MS) adducts and isotope ratios using fullscan (m\/z 134\u2013330) information, the empiric formula of the protonated molecule [M\u2009+\u2009H]+ of the unknown compound was found to be C10H14O2N (+ 0.6 ppm). Product ion spectra recorded using normalized collision energy 22% showed a base peak of C8H9O1 (+ 1.5 ppm) and a low-abundant water loss to C7H9 (+ 1.9 ppm), neutral losses of C2H2O and NH3 were found. Based on fullscan and MS-MS information and under consideration of the observed order of neutral losses, the compound was presumptively identified as N-acetyltyramine. This assumption was supported by SIRIUS software showing a SIRIUS score of 99.43% for N-acetyltyramine. Finally, the putative structure annotation was confirmed by a reference compound. The described false-positive MDA findings could be attributed to the presence of N-acetyltyramine in putrefied blood samples. Being an isomer of MDA, N-acetyltyramine could not be distinguished by high-resolution data of the protonated molecules. The presented results once again highlight that false-positive findings may occur even in hyphenated high-resolution mass spectrometry (HRMS) when using full-scan information only.<\/jats:p>","DOI":"10.1093\/jat\/bkae015","type":"journal-article","created":{"date-parts":[[2024,3,19]],"date-time":"2024-03-19T16:47:09Z","timestamp":1710866829000},"page":"393-397","source":"Crossref","is-referenced-by-count":1,"title":["False-positive MDA findings in HRMS-based screening of putrefied postmortem blood samples\u2014Identification of the interference as <i>N<\/i>-acetyltyramine"],"prefix":"10.1093","volume":"48","author":[{"given":"Viviane C","family":"Stammer","sequence":"first","affiliation":[{"name":"Department Toxicology, Jena University Hospital, Institute for Forensic Medicine, Friedrich Schiller University Jena , Jena, Thuringia 00747,","place":["Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7392-021X","authenticated-orcid":false,"given":"Dirk K","family":"Wissenbach","sequence":"additional","affiliation":[{"name":"Department Toxicology, Jena University Hospital, Institute for Forensic Medicine, Friedrich Schiller University Jena , Jena, Thuringia 00747,","place":["Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1951-5664","authenticated-orcid":false,"given":"Frank T","family":"Peters","sequence":"additional","affiliation":[{"name":"Department Toxicology, Jena University Hospital, Institute for Forensic Medicine, Friedrich Schiller University Jena , Jena, Thuringia 00747,","place":["Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2024,2,28]]},"reference":[{"key":"2024110408354664800_R1","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1002\/ansa.202200062","article-title":"Overview of systematic toxicological analysis strategies and their coverage of substances in forensic toxicology","volume":"4","author":"Rygaard","year":"2023","journal-title":"Analytical Science Advances"},{"key":"2024110408354664800_R2","doi-asserted-by":"crossref","DOI":"10.1002\/9781119122357","volume-title":"Fundamentals of Analytical Toxicology - Clinical and Forensic","author":"Flanagan","year":"2020","edition":"2nd"},{"article-title":"Standard for Identification Criteria in Forensic Toxicology","year":"2023","author":"ANSI\/ASB Standard 113, First Edition 2023","key":"2024110408354664800_R3"},{"article-title":"Decision of 12 August 2002 Implementing Council Directive 96\/23\/EC Concerning the Performance of Analytical Methods and the Interpretation of Results (text with EEA Relevance) (Notified Under Document Number C(2002) 3044)","volume-title":"Commission, E. 2002\/657\/EC: Commission","year":"2002","key":"2024110408354664800_R4"},{"key":"2024110408354664800_R5","first-page":"52","article-title":"MS Identification Guidelines in Forensic Toxicology - An Australian Approach. 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