Enabling Reliable Compound Identification using LC-MSn
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Reliable compound identification with non-targeted liquid chromatography-tandem mass spectrometry (LC-MS/MS) is a major challenge. It involves matching against reference data. For fast and automated identification, tandem mass spectral libraries are queried with appropriate search tools. Reliability of search as well as time and efforts spent for data reviewing very much depend on the quality of the database involved. In this presentation, we will give an overview on our efforts towards the development of a reliable, robust, and transferable tandem mass spectral database, and how such a database can successfully be implemented in workflows for comprehensive drug analysis.