Comparison of a preliminary procedure for the general unknown screening of drugs and toxic compounds using a quadrupole-linear ion-trap mass spectrometer with a liquid chromatography–mass spectrometry reference technique

2003 ◽  
Vol 789 (1) ◽  
pp. 9-18 ◽  
Author(s):  
P MARQUET ◽  
F SAINTMARCOUX ◽  
T GAMBLE ◽  
J LEBLANC
2006 ◽  
Vol 52 (9) ◽  
pp. 1735-1742 ◽  
Author(s):  
François-Ludovic Sauvage ◽  
Franck Saint-marcoux ◽  
Bénédicte Duretz ◽  
Didier Deporte ◽  
Gérard Lachatre ◽  
...  

Abstract Background: In clinical and forensic toxicology, general unknown screening is used to detect and identify exogenous compounds. In this study, we aimed to develop a comprehensive general unknown screening method based on liquid chromatography coupled with a hybrid triple-quadrupole linear ion trap mass spectrometer. Methods: After solid-phase extraction, separation was performed using gradient reversed-phase chromatography. The mass spectrometer was operated in the information-dependent acquisition mode, switching between a survey scan acquired in the Enhanced Mass Spectrometry mode with dynamic subtraction of background noise and a dependent scan obtained in the enhanced product ion scan mode. The complete cycle time was 1.36 s. A library of 1000 enhanced product ion–tandem mass spectrometry spectra in positive mode and 250 in negative mode, generated using 3 alternated collision tensions during each scan, was created by injecting pure solutions of drugs and toxic compounds. Results: Comparison with HPLC-diode array detection and gas chromatography-mass spectrometry for the analysis of 36 clinical samples showed that linear ion trap tandem mass spectrometry could identify most of the compounds (94% of the total). Some compounds were detected only by 1 of the other 2 techniques. Specific clinical cases highlighted the advantages and limitations of the method. Conclusion: A unique combination of new operating modes provided by hybrid triple-quadrupole linear ion trap mass spectrometers and new software features allowed development of a comprehensive and efficient method for the general unknown screening of drugs and toxic compounds in blood or urine.


The Analyst ◽  
2019 ◽  
Vol 144 (9) ◽  
pp. 2867-2871 ◽  
Author(s):  
Päivi Pöhö ◽  
Anu Vaikkinen ◽  
Markus Haapala ◽  
Petri Kylli ◽  
Risto Kostiainen

The first report on capillary photoionization interfacing a liquid chromatograph and mass spectrometer.


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