06 Jun Peptide Catabolite Identification Using HDMSE data and Mass-MetaSite Processing

Ismael Zamora* [1]; Christopher J Kochansky [2]; Mark Cancilla [2]; Mark Wrona [3]; Russell Mortishire-Smith [4]; Jayne Kirk [4]; Gordon Murray [5]; Tatiana Radchenko [1]

[1] Lead Molecular Design, S.L., Sant Cugat Del Valles, Spain; [2] Merck, West Point, PA; [3] Waters Corporation, Milford, MA; [4] Waters Corporation, Wilmslow, United Kingdom; [5] Waters Corp., Beverly, MA

 

The study of peptide metabolism is needed to understand the structural elements that contribute to their clearance. Most of the MS techniques available today in peptide Metabolite Identification are based on DDA methods, often with a pre-defined list of ions. This methodology has the limitation that good quality MS ² spectra are obtained for known metabolites, but possibility missing the unknown ones. Moreover, when the number of possible metabolites is high the preferred list would be too large to be effectively used. DIA methods have less potential to miss metabolites but do not have formally quad-resolved product ion spectra. In this study we report the comparison of DDA and DIA methods – MS ^Eand ion mobility-MS method (HDMS ^E) using Mass-MetaSite/WebMetabase processing.