{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,5]],"date-time":"2026-02-05T13:38:09Z","timestamp":1770298689618,"version":"3.49.0"},"reference-count":16,"publisher":"Wiley","issue":"8","license":[{"start":{"date-parts":[[2019,5,24]],"date-time":"2019-05-24T00:00:00Z","timestamp":1558656000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Drug Testing and Analysis"],"published-print":{"date-parts":[[2019,8]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Comprehensive drug\u2010screening performed by liquid chromatography\u2212high resolution mass spectrometry (LC\u2212HRMS) enables identification of hundreds to thousands of drug compounds in a single analysis. Forensic drug screening is generally performed with positive electrospray ionization (ESI<jats:sup>+<\/jats:sup>), targeting basic drugs; however, a few toxicologically important drugs such as barbiturates, may require analysis by negative ESI. In this work, screening targets for barbiturates were determined using our LC\u2212HRMS screening with ESI<jats:sup>+<\/jats:sup>. For several years, our forensic whole blood samples have been analyzed using the LC\u2212HRMS\u2212ESI<jats:sup>+<\/jats:sup> screening in parallel with a multi\u2010target LC\u2013MS\/MS\u2212ESI<jats:sup>\u2212<\/jats:sup> method. From 2014 to 2018, 23 samples were positive for phenobarbital (0.5\u221281\u00a0mg\/kg). Retrospective data analysis of 4816 blood samples (15 positive) revealed several potential screening targets for phenobarbital. The targets were tentatively identified by exact mass and isotopic pattern as uncommon adducts of phenobarbital and as a decomposition product of phenobarbital <jats:italic>N<\/jats:italic>\u2010glucoside (C<jats:sub>17<\/jats:sub>H<jats:sub>24<\/jats:sub>N<jats:sub>2<\/jats:sub>O<jats:sub>7<\/jats:sub>). Analysis of a test set containing eight positive (0.5\u201365\u00a0mg\/kg phenobarbital) and 31 negative samples supported the use of the observed target <jats:italic>m\/<\/jats:italic><jats:italic>z<\/jats:italic> 323.0614 at 5.14\u00a0minutes, corresponding to the [M\u00a0+\u00a0HCOONa+Na]<jats:sup>+<\/jats:sup> adduct of phenobarbital. The [M\u00a0+\u00a0HCOONa+Na]<jats:sup>+<\/jats:sup> adduct was confirmed as a screening target for common barbiturates, by analysis of barbiturate reference standards in ESI<jats:sup>+<\/jats:sup>\/ESI<jats:sup>\u2212<\/jats:sup>. The [M\u00a0+\u00a0HCOONa+Na]<jats:sup>+<\/jats:sup> adduct allowed retrospective analysis with 91% sensitivity (<jats:italic>n<\/jats:italic>\u00a0=\u00a023) and 100% specificity (<jats:italic>n<\/jats:italic>\u00a0=\u00a04855) for phenobarbital in our existing LC\u2212HRMS\u2212ESI<jats:sup>+<\/jats:sup> screening. The two negative results were the two whole\u2010blood samples with the lowest phenobarbital concentration (&lt;1.8\u00a0mg\/kg). Thus, a specialized screening is not necessary and use of this adduct likely enables screening for other barbiturates.<\/jats:p>","DOI":"10.1002\/dta.2603","type":"journal-article","created":{"date-parts":[[2019,4,17]],"date-time":"2019-04-17T03:14:34Z","timestamp":1555470874000},"page":"1258-1263","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":16,"title":["Identification of phenobarbital and other barbiturates in forensic drug screening using positive electrospray ionization liquid chromatography\u2212high resolution mass spectrometry"],"prefix":"10.1002","volume":"11","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6621-6475","authenticated-orcid":false,"given":"Lars Jakobsen","family":"H\u00f8j","sequence":"first","affiliation":[{"name":"Department of Forensic Medicine University of Copenhagen  Frederik V's vej 11, 3. Floor 2100 Copenhagen \u00d8 Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8187-6474","authenticated-orcid":false,"given":"Christian Brinch","family":"Mollerup","sequence":"additional","affiliation":[{"name":"Department of Forensic Medicine University of Copenhagen  Frederik V's vej 11, 3. Floor 2100 Copenhagen \u00d8 Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8048-3222","authenticated-orcid":false,"given":"Brian Schou","family":"Rasmussen","sequence":"additional","affiliation":[{"name":"Department of Forensic Medicine University of Copenhagen  Frederik V's vej 11, 3. Floor 2100 Copenhagen \u00d8 Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9555-5134","authenticated-orcid":false,"given":"Sys Stybe","family":"Johansen","sequence":"additional","affiliation":[{"name":"Department of Forensic Medicine University of Copenhagen  Frederik V's vej 11, 3. Floor 2100 Copenhagen \u00d8 Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6974-5535","authenticated-orcid":false,"given":"Kristian","family":"Linnet","sequence":"additional","affiliation":[{"name":"Department of Forensic Medicine University of Copenhagen  Frederik V's vej 11, 3. Floor 2100 Copenhagen \u00d8 Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8967-7477","authenticated-orcid":false,"given":"Petur Weihe","family":"Dalsgaard","sequence":"additional","affiliation":[{"name":"Department of Forensic Medicine University of Copenhagen  Frederik V's vej 11, 3. Floor 2100 Copenhagen \u00d8 Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2019,5,24]]},"reference":[{"key":"e_1_2_5_2_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00204-016-1764-1"},{"key":"e_1_2_5_3_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00216-012-5726-z"},{"key":"e_1_2_5_4_1","doi-asserted-by":"publisher","DOI":"10.1097\/FTD.0000000000000525"},{"key":"e_1_2_5_5_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00216-011-5251-5"},{"key":"e_1_2_5_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.forsciint.2014.03.021"},{"key":"e_1_2_5_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.forsciint.2010.07.016"},{"key":"e_1_2_5_8_1","doi-asserted-by":"publisher","DOI":"10.1093\/jat\/34.7.367"},{"key":"e_1_2_5_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.forsciint.2018.03.039"},{"issue":"5","key":"e_1_2_5_10_1","first-page":"1","article-title":"Retrospective analysis for valproate screening targets with liquid chromatography \u2013 high resolution mass spectrometry with positive electrospray ionization: an omics \u2010 based approach","volume":"11","author":"Mollerup CB","year":"2018","journal-title":"Drug Test Anal"},{"key":"e_1_2_5_11_1","doi-asserted-by":"publisher","DOI":"10.1002\/dta.2359"},{"key":"e_1_2_5_12_1","doi-asserted-by":"publisher","DOI":"10.1002\/dta.2120"},{"key":"e_1_2_5_13_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13040-017-0155-3"},{"key":"e_1_2_5_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/0005-2795(75)90109-9"},{"key":"e_1_2_5_15_1","doi-asserted-by":"publisher","DOI":"10.1023\/A:1015908221339"},{"key":"e_1_2_5_16_1","first-page":"1691","volume-title":"Disposition of toxic drugs and chemicals in man","author":"Baselt RC","year":"2017"},{"key":"e_1_2_5_17_1","doi-asserted-by":"publisher","DOI":"10.1097\/FTD.0000000000000546"}],"container-title":["Drug Testing and Analysis"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fdta.2603","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/dta.2603","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/dta.2603","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/dta.2603","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T22:04:01Z","timestamp":1760393041000},"score":1,"resource":{"primary":{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/dta.2603"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,5,24]]},"references-count":16,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2019,8]]}},"alternative-id":["10.1002\/dta.2603"],"URL":"https:\/\/doi.org\/10.1002\/dta.2603","archive":["Portico"],"relation":{},"ISSN":["1942-7603","1942-7611"],"issn-type":[{"value":"1942-7603","type":"print"},{"value":"1942-7611","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019,5,24]]},"assertion":[{"value":"2019-03-12","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2019-04-08","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2019-05-24","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}