Metabolite identification of triptolide by data-dependent accurate mass spectrometric analysis in combination with online hydrogen/deuterium exchange and multiple data-mining techniques

Rapid Communications in Mass Spectrometry

Volumn 25, Issue 20, 2011, Pages 3167-3177

  Du, Fuying ^a   Liu, Ting ^b   Liu, Tian ^a   Wang, Yongwei ^b   Wan, Yakun ^c   Xing, Jie ^a  

^a SHANDONG UNIVERSITY   (China)

^b Thermo Fisher Scientific   (United States)

^c SOUTHEAST UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BIOMOLECULES; CHROMOPHORES; DATA MINING; HYDROGEN; MASS SPECTROMETERS; MASS SPECTROMETRY; METABOLISM;

ACCURATE MASS; DATA DEPENDENT; DATA-MINING TECHNIQUES; H-D EXCHANGE; MASS SPECTROMETRIC ANALYSIS; METABOLITE IDENTIFICATION; N-ACETYLCYSTEINE; PHASE I; PHASE II; TRIPTOLIDE;

METABOLITES;

EID: 80053252909     PISSN: 09514198     EISSN: 10970231     Source Type: Journal    
DOI: 10.1002/rcm.5211     Document Type: Article

References (16)

1. M. Cameron, J. J. Gagnier, C. V. Little, T. J. Parsons, A. Blümle, S. Chrubasik,. Evidence of effectiveness of herbal medicinal products in the treatment of arthritis. 2. Rheumatoid arthritis. Phytother. Res. 2009, 23, 1647.
2. L. Liu, Z. Jiang, J. Liu, X. Huang, T. Wang, J. Liu, Y. Zhang, Z. Zhou, J. Guo, L. Yang, Y. Chen, L. Zhang,. Sex differences in subacute toxicity and hepatic microsomal metabolism of triptolide in rats. Toxicology 2010, 271, 57.
3. F. Shao, G. Wang, H. Xie, X. Zhu, J. A. J. Sun,. Pharmacokinetic study of triptolide, a constituent of immunosuppressive Chinese herb medicine, in rats. Biol. Pharm. Bull. 2007, 30, 702.
4. W. Li, Y. Liu, Y. Q. He, J. W. Zhang, Y. Gao, G. B. Ge, H. X. Liu, H. Huo, H. T. Liu, L. M. Wang, J. Sun, Q. Wang, L. Yang,. Characterization of triptolide hydroxylation by cytochrome P450 in human and rat liver microsomes. Xenobiotica 2008, 38, 1551.
5. X. Ye, W. Li, Y. Yan, C. Mao, R. Cai, H. Xu, X. Yang,. Effects of cytochrome P4503A inducer dexamethasone on the metabolism and toxicity of triptolide in rat. Toxicol. Lett. 2010, 192, 212.
6. H. Zhang, D. Zhang, K. Ray, M. Zhu,. Mass defect filter technique and its applications to drug metabolite identification by high-resolution mass spectrometry. J. Mass Spectrom. 2009, 44, 999.
7. Q. Ruan, S. Peterman, M. A. Szewc, L. Ma, D. Cui, W. G. Humphreys, M. Zhu,. An integrated method for metabolite detection and identification using a linear ion trap/Orbitrap mass spectrometer and multiple data processing techniques: application to indinavir metabolite detection. J. Mass Spectrom. 2008, 43, 251.
8. T. Rousu, J. Herttuainen, A. Tolonen,. Comparison of triple quadrupole, hybrid linear ion trap triple quadrupole, time-of-flight and LTQ-Orbitrap mass spectrometers in drug discovery phase metabolite screening and identification in vitro - amitriptyline and verapamil as model compounds. Rapid Commun. Mass Spectrom. 2010, 24, 939.
9. S. Beuck, W. Schänzer, M. Thevis,. Investigation of the in vitro metabolism of the emerging drug candidate S107 for doping-preventive purposes. J. Mass Spectrom. 2011, 46, 112.
10. G. Chen, I. Daaro, B. N. Pramanik, J. J. Piwinski,. Structural characterization of in vitro rat liver microsomal metabolites of antihistamine desloratadine using LTQ-Orbitrap hybrid mass spectrometer in combination with online hydrogen/deuterium exchange LC-HR/MS. J. Mass Spectrom. 2009, 44, 203.
11. L. L. Ning, J. Han, X. Y. Zhang, H. Z. Guo, K. S. Bi, D. A. Guo,. Biotransformation of triptolide and triptonide by cell suspension cultures of Catharanthus roseus. J. Asian Nat. Prod. Res. 2004, 6, 93.
12. L. L. Ning, J. X. Zhan, G. Q. Qu, L. Zhong, H. Z. Duo, K. S. Bi, D. A. Guo,. Biotransformation of triptolide by cunninghamella blakesleana. Tetrahedron 2003, 59, 4209.
13. H. Ott, M. A. Bergström, R. Heise, C. Skazik, G. Zwadlo-Klarwasser, H. F. Merk, J. M. Baron, A. T. Karlberg,. Cutaneous metabolic activation of carvoxime, a self-activating, skin-sensitizing prohapten. Chem. Res. Toxicol. 2009, 22, 399.
14. Z. Yan, L. M. Easterwood, N. Maher, R. Torres, N. Huebert, G. S. Yost,. Metabolism and bioactivation of 3-methylindole by human liver microsomes. Chem. Res. Toxicol. 2007, 20, 140.
15. J. C. Wolff, A. M. Laures,. 'On-the-fly' hydrogen/deuterium exchange liquid chromatography/mass spectrometry using a dual-sprayer atmospheric pressure ionisation source. Rapid Commun. Mass Spectrom. 2006, 20, 3769.
16. D. Q. Liu, C. E. Hop,. Strategies for characterization of drug metabolites using liquid chromatography-tandem mass spectrometry in conjunction with chemical derivatization and on-line H/D exchange approaches. J. Pharm. Biomed. Anal. 2005, 37, 1.