Metabolite Identification

Characterize and quantify metabolites with speed, efficiency, and confidence.

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Routine Ion Mobility and UNIFI Software as Tools for Efficient and Robust Metabolite Characterisation

Dr. Jan Boerma reviews how he and Unilabs Bioanalytical Solutions use ion mobility to reduce noise and reveal low abundance diagnostic ions, remove endogenous components, and obtain clean, high-energy spectra of co-eluting components with different drift times. He also shows how the UNIFI Scientific Information System helps to streamline metbolite ID by uncovering primary and secondary metabolites and identify unexpected metabolites.

Use of Ion Mobility for DMPK Applications Throughout the Drug Development Programme of Small Molecules

Dr. Catherine Holdsworth discusses how Covance routinely utilizes ion mobility technology. She demonstrates its benefits for metabolite profiling studies, including resolving co-eluting isomeric peaks, and tracking, correlating, and comparing metabolites between different chromatographic systems.

Integrating Ion Mobility into Routine Metabolite Identification Studies Using the Vion IMS QTof Mass Spectrometer

This application note outlines and focuses on the benefits and the ease of use of ion mobility for the application of metabolite identification.

Metabolite Identification: Working with Large Preclinical Multispecies Data Sets

This application note demonstrates detailed and thorough workflows for identification and characterization of complex multispecies data sets. Trends and pharmacokinetic profiles for multiple metabolites were evaluated, which enabled confirmation of human metabolites in preclinical species.

Ion Mobility-enabled Data-dependent Experiments Distinguishing Co-eluting Isomeric Metabolites Using an IMS-QTof Mass Spectrometer

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.

Utilization of Ion Mobility Enabled Collisional Cross Section Measurements for the Comparison of Metabolites across Differing Chromatographic Methods

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.

Making Ion Mobility Mass Spectrometry Routine

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.

Fully Integrated Novel IMS-QTof Informatics Platform for Rapid Drug Screening and Elucidation

ASMS 2015 presentation: Russell Mortishire-Smith talks about next generation DMPK workflows, achieved through tight integration of ion mobility, HRMS, informatics, and data reduction strategies.

What are Ion Mobility MS and Collision Cross Section Data?

Learn about the fundamentals of ion mobility mass spectrometry (IMS) and the benefits of collisional-cross section (CCS) data.

Evaluation of Ion Mobility Enabled Collisional Cross Section Measurements for the Differentiation of Acyl and Phenolic Glucuronide Metabolites

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.