{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,26]],"date-time":"2025-10-26T21:03:48Z","timestamp":1761512628157,"version":"build-2065373602"},"reference-count":19,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2009,1,6]],"date-time":"2009-01-06T00:00:00Z","timestamp":1231200000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"name":"NUS Start-up Grant","award":["R-148-050-088-101\/133"],"award-info":[{"award-number":["R-148-050-088-101\/133"]}]},{"name":"Academic Research Fund","award":["R-148-000-100-112"],"award-info":[{"award-number":["R-148-000-100-112"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Rapid Comm Mass Spectrometry"],"published-print":{"date-parts":[[2009,2,15]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    The use of hybrid quadrupole ion mobility spectrometry time\u2010of\u2010flight mass spectrometry (Q\/IMS\/TOFMS) in the metabolite profiling of leflunomide (LEF) and acetaminophen (APAP) is presented. The IMS drift times (T\n                    <jats:sub>d<\/jats:sub>\n                    ) of the drugs and their metabolites were determined in the IMS\/TOFMS experiments and correlated with their exact monoisotopic masses and other\n                    <jats:italic>in silico<\/jats:italic>\n                    generated structural properties, such as connolly molecular area (CMA), connolly solvent\u2010excluded volume (CSEV), principal moments of inertia along the X, Y and Z Cartesian coordinates (MI\u2010X, MI\u2010Y and MI\u2010Z), inverse mobility and collision cross\u2010section (CCS). The correlation of T\n                    <jats:sub>d<\/jats:sub>\n                    with these parameters is presented and discussed. IMS\/TOF tandem mass spectrometry experiments (MS\n                    <jats:sup>2<\/jats:sup>\n                    and MS\n                    <jats:sup>3<\/jats:sup>\n                    ) were successfully performed on the\n                    <jats:italic>N<\/jats:italic>\n                    \u2010acetyl\u2010\n                    <jats:italic>p<\/jats:italic>\n                    \u2010benzoquinoneimine glutathione (NAPQI\u2010GSH) adduct derived from the\n                    <jats:italic>in vitro<\/jats:italic>\n                    microsomal metabolism of APAP. As comparison, similar experiments were also performed using hybrid triple quadrupole linear ion trap mass spectrometry (QTRAPMS) and quadrupole time\u2010of\u2010flight mass spectrometry (QTOFMS). The abilities to resolve the product ions of the metabolite within the drift tube and fragment the ion mobility resolved product ions in the transfer travelling wave\u2010enabled stacked ring ion guide (TWIG) demonstrated the potential applicability of the Q\/IMS\/TOFMS technique in pharmaceutical metabolite profiling. Copyright \u00a9 2009 John Wiley &amp; Sons, Ltd.\n                  <\/jats:p>","DOI":"10.1002\/rcm.3887","type":"journal-article","created":{"date-parts":[[2009,1,6]],"date-time":"2009-01-06T08:10:45Z","timestamp":1231229445000},"page":"384-394","source":"Crossref","is-referenced-by-count":34,"title":["Pharmaceutical metabolite profiling using quadrupole\/ion mobility spectrometry\/time\u2010of\u2010flight mass spectrometry"],"prefix":"10.1002","volume":"23","author":[{"given":"Eric C. Y.","family":"Chan","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lee Sun","family":"New","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Chun Wei","family":"Yap","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lin Tang","family":"Goh","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2009,1,6]]},"reference":[{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.259.5099.1300"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.462228"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-9888(199706)32:6<577::AID-JMS530>3.0.CO;2-4"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.1120177"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijms.2006.07.021"},{"key":"e_1_2_6_7_2","doi-asserted-by":"publisher","DOI":"10.1021\/ac051277q"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijms.2004.10.003"},{"key":"e_1_2_6_9_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0003-2670(02)00021-1"},{"key":"e_1_2_6_10_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jasms.2003.08.002"},{"key":"e_1_2_6_11_2","doi-asserted-by":"publisher","DOI":"10.1021\/ac051277q"},{"key":"e_1_2_6_12_2","doi-asserted-by":"publisher","DOI":"10.1002\/rcm.2938"},{"key":"e_1_2_6_13_2","doi-asserted-by":"publisher","DOI":"10.1002\/rcm.2111"},{"key":"e_1_2_6_14_2","doi-asserted-by":"publisher","DOI":"10.1002\/rcm.2101"},{"key":"e_1_2_6_15_2","doi-asserted-by":"publisher","DOI":"10.2165\/00003088-200241060-00003"},{"key":"e_1_2_6_16_2","doi-asserted-by":"publisher","DOI":"10.2174\/187231207783221402"},{"key":"e_1_2_6_17_2","doi-asserted-by":"publisher","DOI":"10.1021\/ac50001a056"},{"key":"e_1_2_6_18_2","unstructured":"MOBCAL. Available:http:\/\/www.indiana.edu\/\u223cnano\/Software.html."},{"key":"e_1_2_6_19_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp961623v"},{"key":"e_1_2_6_20_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(96)00941-4"}],"container-title":["Rapid Communications in Mass Spectrometry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Frcm.3887","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Frcm.3887","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/rcm.3887","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,26]],"date-time":"2025-10-26T15:08:10Z","timestamp":1761491290000},"score":1,"resource":{"primary":{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/rcm.3887"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2009,1,6]]},"references-count":19,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2009,2,15]]}},"alternative-id":["10.1002\/rcm.3887"],"URL":"https:\/\/doi.org\/10.1002\/rcm.3887","archive":["Portico"],"relation":{},"ISSN":["0951-4198","1097-0231"],"issn-type":[{"type":"print","value":"0951-4198"},{"type":"electronic","value":"1097-0231"}],"subject":[],"published":{"date-parts":[[2009,1,6]]}}}