{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,20]],"date-time":"2025-10-20T18:34:17Z","timestamp":1760985257637,"version":"build-2065373602"},"reference-count":23,"publisher":"Wiley","issue":"12","license":[{"start":{"date-parts":[[2014,12,5]],"date-time":"2014-12-05T00:00:00Z","timestamp":1417737600000},"content-version":"vor","delay-in-days":4,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Mass Spectrom."],"published-print":{"date-parts":[[2014,12]]},"abstract":"<jats:p>The purpose of this work is to explore the mass fragment characterization of commonly used drugs through a novel approach, which involves isotope\u2010selective tandem mass spectrometry (MS\/MS). Collision\u2010induced dissociation (CID) was performed with a low\u2010resolution linear ion trap mass spectrometer in positive electrospray ionization. Three pharmacologically active ingredients, i.e. omeprazole, meloxicam and brinzolamide, selected as model compounds in their own formulation, were investigated as a sodiated adduct [C<jats:sub>17<\/jats:sub>H<jats:sub>19<\/jats:sub>N<jats:sub>3<\/jats:sub>O<jats:sub>3<\/jats:sub>S\u2009+\u2009Na]<jats:sup>+<\/jats:sup> (omeprazole) and as protonated adducts, [C<jats:sub>14<\/jats:sub>H<jats:sub>13<\/jats:sub>N<jats:sub>3<\/jats:sub>O<jats:sub>4<\/jats:sub>S<jats:sub>2<\/jats:sub>\u2009+\u2009H]<jats:sup>+<\/jats:sup> and [C<jats:sub>12<\/jats:sub>H<jats:sub>21<\/jats:sub>N<jats:sub>3<\/jats:sub>O<jats:sub>5<\/jats:sub>S<jats:sub>3<\/jats:sub>\u2009+\u2009H]<jats:sup>+<\/jats:sup>, meloxicam and brinzolamide, respectively. Selecting a narrow window of \u00b10.5 <jats:italic>m\/z<\/jats:italic> units, precursor ion fragmentation by CID\u2010MS\/MS of isotopologues A\u2009+\u20090, A\u2009+\u20091 and A\u2009+\u20092 was found very useful to confirm the chemical formula of product ions, thus aiding the establishment of characteristic fragmentation pathways of all three examined compounds. The correctness of putative molecular formula of product ions was easily demonstrated by exploiting the isotope peak abundance ratios (i.e. I<jats:sub>F+0<\/jats:sub>\/I<jats:sub>F+1<\/jats:sub> and I<jats:sub>F+0<\/jats:sub>\/I<jats:sub>F+2<\/jats:sub>) as simple constraints in low\u2010resolution MS instrumentations. Copyright \u00a9 2014 John Wiley &amp; Sons, Ltd.<\/jats:p>","DOI":"10.1002\/jms.3468","type":"journal-article","created":{"date-parts":[[2014,12,5]],"date-time":"2014-12-05T22:52:24Z","timestamp":1417819944000},"page":"1322-1329","source":"Crossref","is-referenced-by-count":7,"title":["Molecular formula analysis of fragment ions by isotope\u2010selective collision\u2010induced dissociation tandem mass spectrometry of pharmacologically active compounds"],"prefix":"10.1002","volume":"49","author":[{"given":"Giuliana","family":"Bianco","sequence":"first","affiliation":[{"name":"Dipartimento di Scienze Universit\u00e0 della Basilicata  Via dell'Ateneo Lucano 10 85100 Potenza Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alessandro","family":"Buchicchio","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze Universit\u00e0 della Basilicata  Via dell'Ateneo Lucano 10 85100 Potenza Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Filomena","family":"Lelario","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze Universit\u00e0 della Basilicata  Via dell'Ateneo Lucano 10 85100 Potenza Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tommaso R.I.","family":"Cataldi","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica Universit\u00e0 degli Studi di Bari Aldo Moro  Via E. 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