Application of a hybrid ion trap/time-of-flight mass spectrometer in metabolite characterization studies: Structural identification of the metabolism profile of antofloxacin in rats rapidly using MSn information and accurate mass measurements

Liang, Yan; Liu, Li; Lu, Shousi; Xie, Lin; Kang, An; Xie, Ting; Xie, Yuan; Sheng, Long-Sheng; Liu, Xiaodong; Wang, Guangji

doi:10.1016/j.jpba.2009.05.008

Cited by 16 publications

(7 citation statements)

References 11 publications

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“…The results of quantitative extraction by the SPE method are easy, fast, and automatic. The use of solvents and time is more effective and efficient [36].…”

Section: Solid-phase Extraction (Spe)mentioning

confidence: 99%

Sample Preparation and Bioanalysis Validation for Natural Product Sample

2021

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Bioanalysis study and its validation are important for the application in natural drug discovery and preparation for natural medicine products with safe drug development approaches. Bioanalysis data for natural products can provide quantitative information on active compounds from natural products for pharmacokinetics, pharmacodynamics, bioavailability, bioequivalence, and toxicokinetics. Bioanalysis validation provides useful guidance for obtaining accurate data on drug discovery, preclinical and clinical testing of natural drug product development, and to ensure the methods used are suitable for application in testing the samples. In general, sample preparation and validation of the bioanalysis method are part of the pharmacokinetic characterization of a chemical compound from the discovery to the development stage of natural material products. Therefore, this paper aims to discuss how to prepare samples and validate bioanalysis for natural products.

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“…The results of quantitative extraction by the SPE method are easy, fast, and automatic. The use of solvents and time is more effective and efficient [36].…”

Section: Solid-phase Extraction (Spe)mentioning

confidence: 99%

Sample Preparation and Bioanalysis Validation for Natural Product Sample

2021

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“…The low pH of such mobile phases can facilitate the protonation of analytes with basic functional groups. Usually, metabolite separation is performed by using slow gradients and columns with 2–4.6 mm internal diameter and 3–5 µm particle size …”

Section: Analytical Approaches In Metabolite Identificationmentioning

confidence: 99%

An introduction to hybrid ion trap/time‐of‐flight mass spectrometry coupled with liquid chromatography applied to drug metabolism studies

Liu

2012

J. Mass. Spectrom.

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Metabolism studies play an important role at various stages of drug discovery and development. Liquid chromatography combined with mass spectrometry (LC/MS) has become a most powerful and widely used analytical tool for identifying drug metabolites. The suitability of different types of mass spectrometers for metabolite profiling differs widely, and therefore, the data quality and reliability of the results also depend on which instrumentation is used. As one of the latest LC/MS instrumentation designs, hybrid ion trap/time-of-flight MS coupled with LC (LC-IT-TOF-MS) has successfully integrated ease of operation, compatibility with LC flow rates and data-dependent MS(n) with high mass accuracy and mass resolving power. The MS(n) and accurate mass capabilities are routinely utilized to rapidly confirm the identification of expected metabolites or to elucidate the structures of uncommon or unexpected metabolites. These features make the LC-IT-TOF-MS a very powerful analytical tool for metabolite identification. This paper begins with a brief introduction to some basic principles and main properties of a hybrid IT-TOF instrument. Then, a general workflow for metabolite profiling using LC-IT-TOF-MS, starting from sample collection and preparation to final identification of the metabolite structures, is discussed in detail. The data extraction and mining techniques to find and confirm metabolites are discussed and illustrated with some examples. This paper is directed to readers with no prior experience with LC-IT-TOF-MS and will provide a broad understanding of the development and utility of this instrument for drug metabolism studies.

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“…The combination of a quadrupole ion trap (QIT) and a time‐of‐flight (TOF) mass analyzer benefits from the ion storage capability of the ion trap and multiplexing and fast duty cycle of the TOF mass analyzer and is well suited to perform a variety of experiments . The quadrupole ion storage trap serves as the first acceleration region for the TOF mass analyzer.…”

Section: Introductionmentioning

confidence: 99%

“…The combination of a quadrupole ion trap (QIT) and a time-offlight (TOF) mass analyzer benefits from the ion storage capability of the ion trap and multiplexing and fast duty cycle of the TOF mass analyzer and is well suited to perform a variety of experiments. [1][2][3][4][5][6][7][8][9][10] The quadrupole ion storage trap serves as the first acceleration region for the TOF mass analyzer. In our previous work, [10] the hyperbolic electrodes of the standard-geometry QIT were shown to degrade the TOF mass resolution, as compared with the usual parallel acceleration electrodes in a non-QIT linear TOF mass spectrometer.…”

Section: Introductionmentioning

confidence: 99%

Optimization of a quadrupole ion storage trap as a source for time‐of‐flight mass spectrometry

Dangi

Ervin

2012

J. Mass. Spectrom.

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Designs of a quadrupole ion trap (QIT) as a source for time-of-flight (TOF) mass spectrometry are evaluated for mass resolution, ion trapping, and laser activation of trapped ions. Comparisons are made with the standard hyperbolic electrode ion trap geometry for TOF mass analysis in both linear and reflectron modes. A parallel-plate design for the QIT is found to give significantly improved TOF mass spectrometer performance. Effects of ion temperature, trapped ion cloud size, mass, and extraction field on mass resolution are investigated in detail by simulation of the TOF peak profiles. Mass resolution (m/Δm) values of several thousand are predicted even at room temperature with moderate extraction fields for the optimized design. The optimized design also allows larger radial ion collection size compared with the hyperbolic ion trap, without compromising the mass resolution. The proposed design of the QIT also improves the ion-laser interaction volume and photon collection efficiency for fluorescence measurements on trapped ions.

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Application of a hybrid ion trap/time-of-flight mass spectrometer in metabolite characterization studies: Structural identification of the metabolism profile of antofloxacin in rats rapidly using MSn information and accurate mass measurements

Cited by 16 publications

References 11 publications

Sample Preparation and Bioanalysis Validation for Natural Product Sample

Sample Preparation and Bioanalysis Validation for Natural Product Sample

An introduction to hybrid ion trap/time‐of‐flight mass spectrometry coupled with liquid chromatography applied to drug metabolism studies

Optimization of a quadrupole ion storage trap as a source for time‐of‐flight mass spectrometry

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