Information-dependent acquisition-mediated LC-MS/MS screening procedure with semiquantitative potential

被引:70
作者
Decaestecker, TN
Casteele, SRV
Wallemacq, PE
Van Peteghem, CH
Defore, DL
Van Bocxlaer, JF
机构
[1] Univ Ghent, Lab Toxicol, Lab Med Biochem & Clin Anal, B-9000 Ghent, Belgium
[2] Univ Ghent, Lab Pharmaceut Biotechnol, B-9000 Ghent, Belgium
[3] Clin Hosp St Luc, Lab Toxicol & Special Chem, B-1200 Brussels, Belgium
关键词
D O I
10.1021/ac0492315
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
The development of a LC-MS/MS general unknown screening procedure for toxicologically relevant substances in blood samples by means of information dependent acquisition on a Q-TOF is reported. IDA is an artificial intelligence-based product ion scan mode providing automatic "on-the-fly" MS to MS/MS switching. By performing information-dependent scanning at two different fragmentation energies, two collision-induced dissociation product ion spectra for each of the detected compounds are generated. As such, information-rich MS/MS spectra are obtained from precursor ions not known beforehand. In addition, limitation of the MS/MS acquisition time to an acceptable minimum resulted in an almost instantaneous switch back to the MS mode. As such, this approach provided MS chromatograms that still could be of use for semiquantitative purposes. Since the switching intensity threshold, unequivocally related to the background noise, proved a critical parameter, the solid-phase extraction procedure, the liquid chromatographic conditions, and the mass spectrometric parameters all were optimized to the advantage of information-dependent acquisition. Finally, the screening procedure we developed was benchmarked, on one hand, qualitatively against the results obtained from traditional GUS approaches in a number of routine toxicological laboratories (20 samples) and, on the other hand, quantitatively with respect to its potential against established LC-MS/MS methods (7 samples). The procedure performed very well from a qualitative point of view; almost all of the drugs detected by the conventional techniques were identified, as well as additional drugs that were not previously reported. The procedure proved well-suited for an initial semiquantitative assessment, as is customary in, for example, forensic toxicology before accurate intoxication levels are determined using targeted analytical analyses.
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页码:6365 / 6373
页数:9
相关论文
共 36 条
[1]   Poor reproducibility of in-source collisional atmospheric pressure ionization mass spectra of toxicologically relevant drugs [J].
Bogusz, MJ ;
Maier, RD ;
Krüger, KD ;
Webb, KS ;
Romeril, J ;
Miller, ML .
JOURNAL OF CHROMATOGRAPHY A, 1999, 844 (1-2) :409-418
[2]   Narrow-bore HPLC in combination with fluorescence and electrospray mass spectrometric detection for the analysis of cocaine and metabolites in human hair [J].
Clauwaert, KM ;
Van Bocxlaer, JF ;
Lambert, WE ;
Van den Eeckhout, EG ;
Lemière, F ;
Esmans, EL ;
De Leenheer, AP .
ANALYTICAL CHEMISTRY, 1998, 70 (11) :2336-2344
[3]  
Decaestecker TN, 2000, RAPID COMMUN MASS SP, V14, P1787, DOI 10.1002/1097-0231(20001015)14:19<1787::AID-RCM94>3.0.CO
[4]  
2-S
[5]   Suitability testing of commercial solid-phase extraction sorbents for sample clean-up in systematic toxicological analysis using liquid chromatography-(tandem) mass spectrometry [J].
Decaestecker, TN ;
Coopman, EM ;
Van Peteghem, CH ;
Van Bocxlaer, JF .
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 2003, 789 (01) :19-25
[6]  
DECAESTECKER TN, IN PRESS J CHROMAT A
[7]  
DECAESTECKER TN, 2004, HTC 8
[8]   Postmortem drug analysis: Analytical and toxicological aspects [J].
Drummer, OH ;
Gerostamoulos, J .
THERAPEUTIC DRUG MONITORING, 2002, 24 (02) :199-209
[9]   Chromatographic screening techniques in systematic toxicological analysis [J].
Drummer, OH .
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 1999, 733 (1-2) :27-45
[10]   DRUGS-OF-ABUSE TESTING IN URINE - STATISTICAL APPROACH AND EXPERIMENTAL COMPARISON OF IMMUNOCHEMICAL AND CHROMATOGRAPHIC TECHNIQUES [J].
FERRARA, SD ;
TEDESCHI, L ;
FRISON, G ;
BRUSINI, G ;
CASTAGNA, F ;
BERNARDELLI, B ;
SOREGAROLI, D .
JOURNAL OF ANALYTICAL TOXICOLOGY, 1994, 18 (05) :278-291