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LC-MS methods applied to metabolite identification

New LC-MS Technology and Method Applied to Metabolite Identification

- He Y, Hou P, Long Z, Zheng Y, Tang C, Jones E, Diao X, Zhu M. Application of Electro-Activated Dissociation Fragmentation Technique to Identifying Glucuronidation and Oxidative Metabolism Sites of Vepdegestrant by Liquid Chromatography-High Resolution Mass Spectrometry. Drug Metab Dispos. 2024;52(7):634-643.

- T. Cai, C. Wu, Q. Ruan, S. Ma, M. Zhu. High-resolution mass spectrometry-based data acquisition and data mining technologies for detecting and characterizing drug metabolites and herbal medicine components. In Identification and Quantification of Drugs, Metabolites, Drug Metabolizing Enzymes, and Transporters (Second Edition); Concepts, Methods, and Translational Sciences, 2020, Pages 73-117.

- X. Diao, A. Wohlfarth, S. Pang, K. B. Scheidweiler, M. A. Huestis. High-Resolution Mass Spectrometry for Characterizing the Metabolism of Synthetic Cannabinoid THJ-018 and Its 5-Fluoro Analog THJ-2201 after Incubation in Human Hepatocytes. Clinical chemistry. 2016;62(1):157-69.

- J. Xing, M. Zang, H. Zhang, M. Zhu. The application of high-resolution mass spectrometry-based data-mining tools in tandem to metabolite profiling of a triple drug combination in humans. Analytica chimica acta. 2015;897:34-44.

- Wen, M. Zhu. Applications of mass spectrometry in drug metabolism: 50 years of progress. Drug metabolism reviews. 2015;47(1):71-87.

- H. Zhang and M. Zhu. Drug metabolite identification with high resolution mass spectrometry. Editors, Philip W Lee, Hiroyasu Aizawa, Lawrence L Gan, Chandra Prakash and Dafang Zhong. Handbook of Metabolic Pathways of Xenobiotics. John Wiley & Sons, 2013.

- F. Du, Q. Ruan, M. Zhu, J. Xing. Detection and characterization of ticlopidine conjugates in rat bile using high-resolution mass spectrometry: applications of various data acquisition and processing tools. Journal of mass spectrometry : JMS. 2013;48(3):413-22.

- W. Jian, W. Shou, N. Weng, R. W. Edom, M. Zhu. Chapter 6. LC-MS in drug metabolism and pharmacokinetics, a pharmaceutical industrial perspective. Editor, Mark Lee. Applied Spectroscopy Handbook, John Wiley & Sons, 2012.

- W. Jian, H. F. Liu, W. Zhao, E. Jones, M. Zhu. Simultaneous screening of glutathione and cyanide adducts using precursor ion and neutral loss scans-dependent product ion spectral acquisition and data mining tools. Journal of the American Society for Mass Spectrometry. 2012;23(5):964-76.

- W. Jian, M. Yao, B. Wen, E.B. Jones, M. Zhu. Chapter 15. Use of triple quadrupole-linear ion trap mass spectrometry as a single LC/MS platform in drug metabolism and pharmacokinetics studies. Editors, Mike Lee and Mingshe Zhu. Mass Spectrometry in Drug Metabolism and Disposition:  Basic Principles and Applications. John Wiley & Sons, May 2011.

- M. Zhu, H. Zhang, W. G. Humphreys. Drug metabolite profiling and identification by high-resolution mass spectrometry. The Journal of biological chemistry. 2011;286(29):25419-25.

- Q. Ruan, M. Zhu. Investigation of bioactivation of ticlopidine using linear ion trap/orbitrap mass spectrometry and an improved mass defect filtering technique. Chemical research in toxicology. 2010;23(5):909-17.

- H. Zhang, D. Zhang, K. Ray, M. Zhu. Mass defect filter technique and its applications to drug metabolite identification by high-resolution mass spectrometry. Journal of mass spectrometry : JMS. 2009;44(7):999-1016.

- M. Zhu and B. Wen. Applications of quadrupole-linear ion trap mass spectrometry to the analysis of reactive metabolites in drug discovery and development, in “Advances in Molecular Toxicology”, Volume 3, 2009. Editor, James Fishbein,  Elsevier Science Ltd - Elsevier Science & Technology, July 2009.

- H. Zhang, L. Ma, K. He, M. Zhu. An algorithm for thorough background subtraction from high-resolution LC/MS data: application to the detection of troglitazone metabolites in rat plasma, bile, and urine. Journal of mass spectrometry : JMS. 2008;43(9):1191-200.

- H. Zhang, D. Zhang, M. Zhu, and K. Ray. Chapter 6. High resolution LC/MS based mass defect filter approach: basic concept and application in metabolite detection, in “Mass Spectrometry in Drug Metabolism and Pharmacokinetics”, Editor, Ragu Ramanathan. John Wiley & Sons. December 2008.

- M. Yao, L. Ma, E. Duchoslav, M. Zhu. Rapid screening and characterization of drug metabolites using multiple ion monitoring dependent product ion scan and postacquisition data mining on a hybrid triple quadrupole-linear ion trap mass spectrometer. Rapid communications in mass spectrometry : RCM. 2009;23(11):1683-93.

- S. Ma, M. Zhu. Recent advances in applications of liquid chromatography-tandem mass spectrometry to the analysis of reactive drug metabolites. Chemico-biological interactions. 2009;179(1):25-37.

- W. Jian, M. Yao, D. Zhang, M. Zhu. Rapid detection and characterization of in vitro and urinary N-acetyl-L-cysteine conjugates using quadrupole-linear ion trap mass spectrometry and polarity switching. Chemical research in toxicology. 2009;22(7):1246-55.

- Zhang, M. Zhu, K. L. Ray, L. Ma, D. Zhang. Mass defect profiles of biological matrices and the general applicability of mass defect filtering for metabolite detection. Rapid communications in mass spectrometry : RCM. 2008;22(13):2082-8.

- H. Zhang, L. Ma, K. He, M. Zhu. An algorithm for thorough background subtraction from high-resolution LC/MS data: application to the detection of troglitazone metabolites in rat plasma, bile, and urine. Journal of mass spectrometry : JMS. 2008;43(9):1191-200.

- M. Yao, L. Ma, W. G. Humphreys, M. Zhu. Rapid screening and characterization of drug metabolites using a multiple ion monitoring-dependent MS/MS acquisition method on a hybrid triple quadrupole-linear ion trap mass spectrometer. Journal of mass spectrometry : JMS. 2008;43(10):1364-75.

- B. Wen, L. Ma, S. D. Nelson, M. Zhu. High-throughput screening and characterization of reactive metabolites using polarity switching of hybrid triple quadrupole linear ion trap mass spectrometry. Analytical chemistry. 2008;80(5):1788-99.

- 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. Journal of mass spectrometry : JMS. 2008;43(2):251-61.

- L. Ma, B. Wen, Q. Ruan, M. Zhu. Rapid screening of glutathione-trapped reactive metabolites by linear ion trap mass spectrometry with isotope pattern-dependent scanning and postacquisition data mining. Chemical research in toxicology. 2008;21(7):1477-83.

- Zhu, L. Ma, H. Zhang, W. G. Humphreys. Detection and structural characterization of glutathione-trapped reactive metabolites using liquid chromatography-high-resolution mass spectrometry and mass defect filtering. Analytical chemistry. 2007;79(21):8333-41.

- J. Zheng, L. Ma, B. Xin, T. Olah, W. G. Humphreys, M. Zhu. Screening and identification of GSH-trapped reactive metabolites using hybrid triple quadruple linear ion trap mass spectrometry. Chemical research in toxicology. 2007;20(5):757-66.

- M. Zhu, L. Ma, D. Zhang, K. Ray, W. Zhao, W. G. Humphreys, G. Skiles, M. Sanders, H. Zhang. Detection and characterization of metabolites in biological matrices using mass defect filtering of liquid chromatography/high resolution mass spectrometry data. Drug metabolism and disposition: the biological fate of chemicals. 2006;34(10):1722-33.