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Accurate Mass Spectral Database: Harnessing the Power of High Performance Mass Spectrometry at Long Last
EP24115
Poster Title: Accurate Mass Spectral Database: Harnessing the Power of High Performance Mass Spectrometry at Long Last
Submitted on 16 Jun 2016
Author(s): Lorne Fell, Viatcheslav Artaev, Kevin McNitt, Steve Robles, Albert Lebedev
Affiliations: LECO Corporation, Moscow State University
This poster was presented at ASMS 2016
Poster Views: 1,738
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Poster Information
Abstract: The use of mass spectral databases have been a foundation of identification tools for mass spectrometry. Their use and development has enabled GC/MS to be a dominant and routine technique in many applications of hyphenated MS technologies. Over the past several years the use of high resolution (accurate mass) mass spectrometry and its data expanded into all areas of applications, which could take advantage of spectral databases specifically developed to exploit novel instrumentation capabilities. In this presentation we describe the development and use of an accurate mass-based spectral database,its curation, and application of novel algorithms resulting in similarity searches which are improved by the information obtained by high performance GC/MS.Summary: Standard mixtures comprising of alkanes, PAHs, semivolatiles, and pesticides were analyzed using a high resolution time-of-flight (HRTOF) mass spectrometer—Pegasus GC-HRT (LECO Corporation, Saint Joseph,MI)—at 10 spectra-per-second (m/z40–300) in high resolution mode (25,000 at FWHH). The resulting chromatographic peaks were automatically found, deconvoluted, and curated into an Accurate Mass Library (AML). Report abuse »
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