{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T15:05:28Z","timestamp":1787065528250,"version":"build-2736575974"},"reference-count":44,"publisher":"Wiley","issue":"2","license":[{"start":{"date-parts":[[2025,8,26]],"date-time":"2025-08-26T00:00:00Z","timestamp":1756166400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004681","name":"Higher Education Commission, Pakistan","doi-asserted-by":"publisher","award":["Project # CoE\u201075"],"award-info":[{"award-number":["Project # CoE\u201075"]}],"id":[{"id":"10.13039\/501100004681","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Analytical Science Advances"],"published-print":{"date-parts":[[2025,12]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    High\u2010throughput screening and identification of common phytochemicals are crucial for lead optimization, drug development and investigation of metabolic pathways in complex herbal extracts. The available databases contain a huge number of compounds, making it challenging and time\u2010consuming to dereplicate valuable compounds. Therefore, the current study aimed to develop an in\u2010house mass spectral library for the rapid dereplication of 31 commonly occurring natural products from different classes using liquid chromatography\u2013electrospray ionization\u2013tandem mass spectrometry (LC\u2013ESI\u2013MS\/MS). A total of 31 standards were grouped into two different pools, and each pool was analysed under uniformly optimized conditions in positive ionization mode. A pooling strategy on the basis of log\u00a0\n                    <jats:italic>P<\/jats:italic>\n                    values and exact masses was adopted to minimize the co\u2010elution and the presence of isomers in the same pool. The MS\/MS features of each compound were acquired using [M\u00a0+\u00a0H]\n                    <jats:sup>+<\/jats:sup>\n                    and\/or [M\u00a0+\u00a0Na]\n                    <jats:sup>+<\/jats:sup>\n                    adducts at 25.5\u201362\u00a0eV range as average collision energy and 10, 20, 30 and 40\u00a0eV as individual collision energies. The names, molecular formulae, exact masses with &lt;5\u00a0ppm error, MS and MS\/MS features of analysed reference compounds were used to construct the MS\/MS library. The developed MS\/MS library was efficiently used for the rapid dereplication and validation of 31 compounds in 15 different food and plant sample extracts. The MS data of 31 reference standards have been submitted to the MetaboLights online database (MTBLS9587). The developed library will be beneficial for the rapid dereplication of biologically valuable compounds in a variety of herbal formulations and food samples.\n                  <\/jats:p>","DOI":"10.1002\/ansa.70038","type":"journal-article","created":{"date-parts":[[2025,8,26]],"date-time":"2025-08-26T16:29:16Z","timestamp":1756225756000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Rapid Dereplication of Bioactive Compounds in Plant and Food Extracts Using Liquid Chromatography\u2013Electrospray\u2013Tandem Mass Spectrometry"],"prefix":"10.1002","volume":"6","author":[{"given":"Naheed","family":"Akhtar","sequence":"first","affiliation":[{"name":"H.E.J. Research Institute of Chemistry International Center for Chemical and Biological Sciences University of Karachi  Karachi Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adeeba","family":"Khadim","sequence":"additional","affiliation":[{"name":"H.E.J. Research Institute of Chemistry International Center for Chemical and Biological Sciences University of Karachi  Karachi Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6883-8489","authenticated-orcid":false,"given":"Syed Usama Yaseen","family":"Jeelani","sequence":"additional","affiliation":[{"name":"H.E.J. Research Institute of Chemistry International Center for Chemical and Biological Sciences University of Karachi  Karachi Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bibi","family":"Zareena","sequence":"additional","affiliation":[{"name":"H.E.J. Research Institute of Chemistry International Center for Chemical and Biological Sciences University of Karachi  Karachi Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Arslan","family":"Ali","sequence":"additional","affiliation":[{"name":"Dr. Panjwani Center For Molecular Medicine and Drug Research International Center for Chemical and Biological Sciences University of Karachi  Karachi Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8613-4493","authenticated-orcid":false,"given":"Jalal","family":"Uddin","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry College of Pharmacy King Khalid University  Asir Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hesham R.","family":"El\u2010Seedi","sequence":"additional","affiliation":[{"name":"Department of Chemistry Faculty of Science Islamic University of Madinah  Madinah Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Satyajit D.","family":"Sarker","sequence":"additional","affiliation":[{"name":"Centre For Natural Products Discovery School of Pharmacy and Biomolecular Sciences Faculty of Science Liverpool John Moores University  Liverpool UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhammad","family":"Ramzan","sequence":"additional","affiliation":[{"name":"H.E.J. Research Institute of Chemistry International Center for Chemical and Biological Sciences University of Karachi  Karachi Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2026-3302","authenticated-orcid":false,"given":"Syed Ghulam","family":"Musharraf","sequence":"additional","affiliation":[{"name":"H.E.J. Research Institute of Chemistry International Center for Chemical and Biological Sciences University of Karachi  Karachi Pakistan"},{"name":"Dr. Panjwani Center For Molecular Medicine and Drug Research International Center for Chemical and Biological Sciences University of Karachi  Karachi Pakistan"},{"name":"School of Chemistry and Pharmaceutical Sciences Guangxi Normal University  Guilin China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,8,26]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.trac.2019.01.002"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jnatprod.9b01285"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1155\/2021\/3043720"},{"key":"e_1_2_9_5_1","first-page":"3924","article-title":"Flavonoids: Therapeutic Potential of Natural Pharmacological Agents","volume":"7","author":"Sangeetha K. 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