ASMS

June 5-9, 2016

Henry B. González Convention Center, San Antonio, TX, USA

Related Materials

Related presentations, posters, and scientific talks from this event have been posted here for your reference. Please click the associated link to download.

Title Author Link
ACD/Labs Launches MetaSense Platform for Comprehensive and Rapid Metabolite Identification at the 64th American Society for Mass Spectrometry (ASMS) ConferenceACD/LabsACD/Labs Launches MetaSense Platform for Comprehensive and Rapid Metabolite Identification at the 64th American Society for Mass Spectrometry (ASMS) Conference
Platform Agnostic Data Processing Routine for Targeted and Untargeted Metabolite Identification in Drug DiscoveryR. Lee, V. Lashin, A. Paramonov, A. Sakarov, A. AminovDownload

Join us for the 2016 ASMS meeting where we will host our Breakfast Seminar on Monday, June 6th, featuring guest speaker Amanda DeGraw of St. Jude Medical. Meet ACD/Labs staff in Booth # 701 throughout the show.

ACD/Labs Breakfast Seminar

Date: Monday, June 6th
Time: 6:45–8:15 AM
Location: Henry B. González Convention Center, Room 224

Seminar Agenda

Time Topic Speaker
6:45–7:15 AM Breakfast Buffet and Registration
7:15‐7:25 AM Opening Remarks Richard Lee
Solution Manager, ACD/Labs
7:25‐7:45 AM Analysis of LC-UV-MS Extractables and Leachables Data Using MS Workbook Suite Amanda DeGraw
Senior Scientist, Method Development and Validation, St. Jude Medical
7:45‐8:15 AM MetaSense: A New Platform for Metabolite Identification and Visualization Richard Lee
Solution Manager, ACD/Labs

Poster Presentation

Wednesday, June 8th, 12:30–2:00 PM
Poster #: WP 170

Platform Agnostic Data Processing Routine for Targeted and Untargeted Metabolite Identification in Drug Discovery
Richard Lee, Vitaly Lashin, Alexandre Sakarov

Abstract: Information gained from metabolite analysis plays a critical role in early drug discovery and development. The principle method of recognizing these metabolic "hotspots" are through interpretation of mass spectrometry data, resulting in elucidation of biotransformation pathways. Although there have been a number of significant instrumental and software advancements to aid in metabolite identification, the main challenge in these studies is still structure elucidation of metabolites from the parent compounds. This work describes a new automated software routine which combines batch processing, prediction, and data driven metabolite detection and structure verification through mass spectral analysis.