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Rapid screening and characterization of drug metabolites using a new quadrupole-linear ion trap mass spectrometer.
J Mass Spectrom. 2003 Feb; 38(2):138-50.JM

Abstract

The application of a new hybrid RF/DC quadrupole-linear ion trap mass spectrometer to support drug metabolism and pharmacokinetic studies is described. The instrument is based on a quadrupole ion path and is capable of conventional tandem mass spectrometry (MS/MS) as well as several high-sensitivity ion trap MS scans using the final quadrupole as a linear ion trap. Several pharmaceutical compounds, including trocade, remikiren and tolcapone, were used to evaluate the capabilities of the system with positive and negative turbo ionspray, using either information-dependent data acquisition (IDA) or targeted analysis for the screening, identification and quantification of metabolites. Owing to the MS/MS in-space configuration, quadrupole-like CID spectra with ion trap sensitivity can be obtained without the classical low mass cutoff of 3D ion traps. The system also has MS(3) capability which allows fragmentation cascades to be followed. The combination of constant neutral loss or precursor ion scan with the enhanced product ion scan was found to be very selective for identifying metabolites at the picogram level in very complex matrices. Owing to the very high cycle time and, depending on the mass range, up to eight different MS experiments could be performed simultaneously without compromising chromatographic performance. Targeted product ion analysis was found to be complementary to IDA, in particular for very low concentrations. Comparable sensitivity was found in enhanced product ion scan and selected reaction monitoring modes. The instrument is particularly suitable for both qualitative and quantitative analysis.

Authors+Show Affiliations

Laboratory of Pharmaceutical Analytical Chemistry, Life Sciences Mass Spectrometry, University of Geneva, 20 Boulevard d'Yvoy, 1211 Geneva 4, Switzerland. gerard.hopfgartner@pharm.unige.chNo affiliation info availableNo affiliation info available

Pub Type(s)

Journal Article

Language

eng

PubMed ID

12577280

Citation

Hopfgartner, Gérard, et al. "Rapid Screening and Characterization of Drug Metabolites Using a New Quadrupole-linear Ion Trap Mass Spectrometer." Journal of Mass Spectrometry : JMS, vol. 38, no. 2, 2003, pp. 138-50.
Hopfgartner G, Husser C, Zell M. Rapid screening and characterization of drug metabolites using a new quadrupole-linear ion trap mass spectrometer. J Mass Spectrom. 2003;38(2):138-50.
Hopfgartner, G., Husser, C., & Zell, M. (2003). Rapid screening and characterization of drug metabolites using a new quadrupole-linear ion trap mass spectrometer. Journal of Mass Spectrometry : JMS, 38(2), 138-50.
Hopfgartner G, Husser C, Zell M. Rapid Screening and Characterization of Drug Metabolites Using a New Quadrupole-linear Ion Trap Mass Spectrometer. J Mass Spectrom. 2003;38(2):138-50. PubMed PMID: 12577280.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Rapid screening and characterization of drug metabolites using a new quadrupole-linear ion trap mass spectrometer. AU - Hopfgartner,Gérard, AU - Husser,Christophe, AU - Zell,Manfred, PY - 2003/2/11/pubmed PY - 2003/4/10/medline PY - 2003/2/11/entrez SP - 138 EP - 50 JF - Journal of mass spectrometry : JMS JO - J Mass Spectrom VL - 38 IS - 2 N2 - The application of a new hybrid RF/DC quadrupole-linear ion trap mass spectrometer to support drug metabolism and pharmacokinetic studies is described. The instrument is based on a quadrupole ion path and is capable of conventional tandem mass spectrometry (MS/MS) as well as several high-sensitivity ion trap MS scans using the final quadrupole as a linear ion trap. Several pharmaceutical compounds, including trocade, remikiren and tolcapone, were used to evaluate the capabilities of the system with positive and negative turbo ionspray, using either information-dependent data acquisition (IDA) or targeted analysis for the screening, identification and quantification of metabolites. Owing to the MS/MS in-space configuration, quadrupole-like CID spectra with ion trap sensitivity can be obtained without the classical low mass cutoff of 3D ion traps. The system also has MS(3) capability which allows fragmentation cascades to be followed. The combination of constant neutral loss or precursor ion scan with the enhanced product ion scan was found to be very selective for identifying metabolites at the picogram level in very complex matrices. Owing to the very high cycle time and, depending on the mass range, up to eight different MS experiments could be performed simultaneously without compromising chromatographic performance. Targeted product ion analysis was found to be complementary to IDA, in particular for very low concentrations. Comparable sensitivity was found in enhanced product ion scan and selected reaction monitoring modes. The instrument is particularly suitable for both qualitative and quantitative analysis. SN - 1076-5174 UR - https://www.unboundmedicine.com/medline/citation/12577280/Rapid_screening_and_characterization_of_drug_metabolites_using_a_new_quadrupole_linear_ion_trap_mass_spectrometer_ L2 - https://doi.org/10.1002/jms.420 DB - PRIME DP - Unbound Medicine ER -