Posters
« Back
A new method for analyzing MSe/All Ions Fragmentation in xenobiotic metabolism studies
EP25878
Poster Title: A new method for analyzing MSe/All Ions Fragmentation in xenobiotic metabolism studies
Submitted on 15 Jun 2017
Author(s): Richard Lee, Vitaly Lashin, Alexandre Sakarov, Andrey Paramonov
Affiliations: ACD/Labs
This poster was presented at ASMS 2017
Poster Views: 690
View poster »


Poster Information
Abstract: During early drug discovery, the study of metabolism plays an essential role in determining which drug candidates move forward into development and later stages. Current methods for analysis to identify metabolic soft spots are through LC/MSn interpretation. The main challenge in this work has always been the structure elucidation of metabolites, and there have been a number of strategies developed to address these difficulties. Typically, the use of data dependent scanning has been the primary mode of data acquisition for structure elucidation, but in the past several years the use of MSe or All Ions Fragment (AIF) acquisition has become more prominent. Here we present a computational routine that automatically analyzes MSe/AIF data for LC/MSn based drug metabolism studies.Summary: As an alternative to traditional Data Dependent Acquisition (DDA), the use of MSE/All Ions Fragmentation (AIF) has become common in metabolite identification workflows for the analysis of metabolic hot spots. Although, MSE/AlF has its advantages, the non-specific fragmentation of precursor ions possess a challenge for structure elucidation due to the confounding fragment ions from other species. Here we present a solution for analysis of MSE/AlF in metID studies.
Report abuse »
Questions
Ask the author a question about this poster.
Ask a Question »

Creative Commons

Related Posters


Identification using Forensic Odontology
Vyom Rathi

Genetic Engineering in Male Sterility for Hybrid Variety Development
Abir Hasan Joy

VITVO: Mimicking In Vivo Complexity By The Innovative 3D Model
Olivia Candini1, Giulia Grisendi1, Elisabetta Manuela Foppiani1, Matteo Brogli1, Beatrice Aramini2, Valentina Masciale3, Carlotta Spano1, Tiziana Petrachi4, Elena Veronesi4, Pierfranco Conte5,6, Giorgio Mari1 & Massimo Dominici1,3

Digiceuticals
Helana Lutfi and Shaban Nuredini

Applying Trapped Ion Mobility Separation (TIMS) in combination with Parallel Accumulation Serial Fragmentation (PASEF) for analysis of lipidomics samples
Sebastian Götz1, Sven W Meyer1,Ulrike Schweiger-Hufnagel1,Aiko Barsch1, Ningombam Sanjib Meitei2