Characterize and quantify metabolites with speed, efficiency, and confidence.
Metabolites in bile samples of rats orallyadministrated with imperatorin were detected and identifiedthrough ultra-performance liquid chromatography coupled withelectrospray ionization quadrupole time-of-flight tandem massspectrometry. Thepresent experimental results lead to a better understanding of thebio-transformations and the pharmaceutical applications of imper-atorin.
An advanced bioanalytical workflow for metabolic stability has been developed that demonstrates significant advantages over traditional triple quadrupole based methods, including significant increases in throughput, data processing capabilities and overall data quality.
Co-eluting metabolites attributed to glucuronides of dihydroxylated metabolites were successfully characterised using IMS-enabled DDA, generating two distinct precursor ion MS spectra and product ion MS/MS spectra for the drift time separated metabolites. The m/z and drift time filtered data provide cleaner, unambiguous spectra and increases confidence in structural assignment compared with simple m/z-selective DDA.
The present study suggests that Vion is a robust platform for routine qualitative and quantitative analysis. The high accuracy in CCS and m/z measurement enables its utility for ion mobility and m/z-based compound identification and measurements.
When metabolites are successfully analyzed across different chromatographic methods, it reduces the need to reanalyze samples and allows comparisons to be made across studies using both HPLC and UPLC methods. Ion mobility can play an instrumental role by discriminating isomeric metabolites based on precise measurement of their ion mobility drift times and collisional cross section areas. Covance illustrates how they detected Nefazodone metabolites across two methods. CCS confirmed which isomers were not detected.
This article describes how the latest improvements in technology enable ion mobility to enhance high-resolution MS acquisitions, whether in MS, MS/MS or MRM modes of operation, and outlines just how usable the latest generation of ion mobility-mass spectrometry is, from instrument setup to using the data in routine workflows, rapidly turning data into knowledge.
Learn about the fundamentals of ion mobility mass spectrometry (IMS) and the benefits of collisional-cross section (CCS) data.
ASMS 2016 poster by Covance Laboratories demonstrating successful discrimination of acyl glucuronide metabolite isomers using routine ion mobility mass spectrometry (IMS) and collisional cross section (CCS) measurements.
ASMS 2016 poster by Covance Laboratories demonstrating resolution of co-eluting Nefazodone isomeric metabolites using ion mobility mass spectrometry.
The rotationally-averaged collision cross-section (CCS) represents the effective area for the interaction between an individual ion and the neutral gas through which it is travelling. CCS is an important distinguishing characteristic of an ion in the gas phase, being related to its chemical structure and three-dimensional conformation. CCS affects the mobility of an ion as it moves through a neutral gas under the influence of an electric field and ions may be separated accordingly using ion mobility spectrometry (IMS). CCS values may be measured experimentally using IMS. CCS values may also be estimated computationally if the 3D structure of the molecule is known.