Metabolite Identification

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

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White paper: Biopharmaceutical System Solution with UNIFI Scientific Information System for the Evaluation of Peptide Catabolism

This white paper discusses the use of the Waters Biopharmaceutical Peptide Mapping solution for the characterization of peptide catabolism, using a dedicated workflow.

Data Independent and Data Dependent Acquisition Strategies Combined With Ion Mobility for Drug Metabolism and Pharmacokinetics

This poster presented at 12th Annual Great Lakes DMDG meeting from May 4-5th in Michigan.

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.

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.

Resolution and Characterisation of Co-Eluting Isomeric Metabolites by Collisional Cross Section Measurements Using a Novel Geometry Travelling Wave IMS QToF Mass Spectrometer

ASMS 2016 poster by Covance Laboratories demonstrating resolution of co-eluting Nefazodone isomeric metabolites using ion mobility mass spectrometry.

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.

The Benefits of Gas-Phase Collision Cross-Section (CCS) Measurements in High-Resolution, Accurate-Mass UPLC/MS Analyses

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.

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.

High Sensitivity Metabolite Screening with ionKey/MS Using Post-Column Addition

It is accepted that a mobile phase with a higher composition of organic solvents improves the ionization efficiency, especially in the case of negative polarities. However, achieving the desired chromatographic separation of metabolites may require the use of mobile phases that may not be ideal for ESI. Altering solvent properties by post-column addition of a modifier can be an effective technique to improve sensitivity. Post-column addition of an organic modifier stabilizes the spray and allows enhancement of sensitivity without affecting the chromatographic separation.