Memory-Efficient Searching of Gas-Chromatography Mass Spectra Accelerated by Prescreening

The number of metabolomics studies and spectral libraries for compound annotation (i.e., assigning possible compound identities to a fragmentation spectrum) has been growing steadily in recent years. Accompanying this growth is the number of mass spectra available for searching through those librari...

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Bibliographic Details
Main Authors: Aleksandr Smirnov, Yunfei Liao, Xiuxia Du
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Metabolites
Subjects:
Online Access:https://www.mdpi.com/2218-1989/12/6/491