title: Identification of lorazepam and sildenafil as examples for the application of LC/ionspray-MS and MS-MS with mass spectra library searching in forensic toxicology.
abstract: A mass spectra (MS) library using in-source collision induced dissociation (ESI-CID) as well as a tandem-mass spectra (MS-MS) library with product ion spectra of drugs has recently been developed with a triple-quadrupole ionspray mass spectrometer [1,2]. For the ESI-CID MS library, single-quadrupole mode and for the MS-MS library triple-quadrupole mode have been used. These mass spectra libraries were applied successfully for the general-unknown screening for drugs and metabolites in serum and urine with liquid-chromatography-mass spectrometry (LC-MS) using a PE/SCIEX API 365 with a turboionspray source. As examples, the identification of lorazepam and lorazepam-glucuronide in a serum extract and the identification of sildenafil and alkyloxidated sildenafil in urine are presented here.
authors.affiliation: Institute of Forensic Medicine, Klinikum der Albert-Ludwigs-Universität Freiburg, Albertstrasse, 9, D-79104, Freiburg, Germany. weinmann@sun1.ukl.uni-freiburg.de
authors.forename: W
authors.initials: W
authors.lastname: Weinmann
authors.forename: N
authors.initials: N
authors.lastname: Lehmann
authors.forename: C
authors.initials: C
authors.lastname: Müller
authors.forename: A
authors.initials: A
authors.lastname: Wiedemann
authors.forename: M
authors.initials: M
authors.lastname: Svoboda
mesh_terms: D016208:Databases, Factual; D005554:Forensic Medicine / Q000379:methods*; D008401:Gas Chromatography-Mass Spectrometry / Q000295:instrumentation / Q000379:methods*; D006801:Humans; D008140:Lorazepam / Q000031:analogs & derivatives / Q000097:blood* / Q000737:chemistry / Q000378:metabolism; D010726:Phosphodiesterase Inhibitors / Q000737:chemistry / Q000378:metabolism / Q000652:urine*; D010879:Piperazines / Q000737:chemistry / Q000378:metabolism / Q000652:urine*; D011687:Purines; D000068677:Sildenafil Citrate; D018629:Spectrometry, Mass, Secondary Ion / Q000295:instrumentation / Q000379:methods*; D015813:Substance Abuse Detection / Q000379:methods*; D013450:Sulfones; D014116:Toxicology / Q000379:methods*
chemical_list: D010726:Phosphodiesterase Inhibitors; D010879:Piperazines; D011687:Purines; D013450:Sulfones; D000068677:Sildenafil Citrate; D008140:Lorazepam; C031290:lorazepam glucuronide