Please use this identifier to cite or link to this item:
|Title:||Pharmaceutical metabolite profiling using quadrupole/ion mobility spectrometry/time-of-flight mass spectrometry||Authors:||Chan, E.C.Y.
|Issue Date:||15-Feb-2009||Citation:||Chan, E.C.Y., Lee, S.N., Chun, W.Y., Lin, T.G. (2009-02-15). Pharmaceutical metabolite profiling using quadrupole/ion mobility spectrometry/time-of-flight mass spectrometry. Rapid Communications in Mass Spectrometry 23 (3) : 384-394. ScholarBank@NUS Repository. https://doi.org/10.1002/rcm.3887||Abstract:||The use of hybrid quadrupole ion mobility spectrometry time-of-flight mass spectrometry (Q/IMS/ TOFMS) in the metabolite profiling of leflunomide (LEF) and acetaminophen (APAP) is presented. The IMS drift times (Td) of the drugs and their metabolites were determined in the IMS/TOFMS experiments and correlated with their exact monoisotopic masses and other in silico generated structural properties, such as connolly molecular area (CMA), connolly solvent-excluded volume (CSEV), principal moments of inertia along the X, Y and Z Cartesian coordinates (MI-X, MI-Y and MIZ), inverse mobility and collision cross-section (CCS). The correlation of Td with these parameters is presented and discussed. IMS/TOF tandem mass spectrometry experiments (MS 2 and MS3) were successfully performed on the N-acetyl-p-benzoquinoneimine glutathione (NAPQI-GSH) adduct derived from the in vitro microsomal metabolism of APAP. As comparison, similar experiments were also performed using hybrid triple quadrupole linear ion trap mass spectrometry (QTRAPMS) and quadrupole time-of-flight 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-enabled stacked ring ion guide (TWIG) demonstrated the potential applicability of the Q/IMS/TOFMS technique in pharmaceutical metabolite profiling. Copyright © 2009 John Wiley & Sons, Ltd.||Source Title:||Rapid Communications in Mass Spectrometry||URI:||http://scholarbank.nus.edu.sg/handle/10635/106202||ISSN:||09514198||DOI:||10.1002/rcm.3887|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Oct 16, 2019
WEB OF SCIENCETM
checked on Oct 16, 2019
checked on Oct 11, 2019
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.