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A New Approach to the Automated Identification of Metabolites in Multi-Vendor Datasets
EP23986
Poster Title: A New Approach to the Automated Identification of Metabolites in Multi-Vendor Datasets
Submitted on 25 Apr 2016
Author(s): Richard Lee,1 Vitaly Lashin,2 Andrey Paramonov,2 Alexandr Sakharov2
Affiliations: 1 Advanced Chemistry Development, Inc. (ACD/Labs), 8 King Street East, Toronto, ON, Canada M5C 1B5 2 Advanced Chemistry Development, Ltd. (ACD Ltd.), ul. AkademikaBakuleva6, str.1, Moscow, Russia
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Poster Information
Abstract: For scientists involved in the study of drug metabolism the challenge of accurately and rapidly identifying metabolites is met using a variety of LC/MS techniques and software packages. While most instruments vendors offer software to assist in the identification of metabolites, they are a hindrance in a multi-vendor laboratory, where they lack the flexibility and customization required. Most users have to then resort to purchasing additional software and typically use Microsoft Excel to complete their workflow.
Summary: This poster presents a new approach for the automated identification of metabolites based on the ACD/Spectrus Platform, which allows data from nearly all the mass spectrometry vendors to be processed, reviewed, and uploaded to a knowledge management system.
References: 1. ACD/Percepta 2015 Release, ACD/Labs, Inc. http://www.acdlabs.com/products/percepta/
2. Dapkunas J, Sazonovas A, Japertas P. (2009) Chem Biodivers., 6 (11):2101-6
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