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                            Library & Multimedia
 Updates to the Inverted Library Search Algorithm for Mixture Analysis
NCJ Number
              306090
Journal

*Journal of the American Society for Mass Spectrometry* Volume:  33 Issue: 7 Dated: 2022 Pages: 1260–1266
Author(s)
          Arun S. Moorthy;
                        Stephen S. Tennyson;
                        Edward Sisco
Date Published

June 2022
Length
              7 pages
Annotation
              This article reports on the features of and importance of the Inverted Library Search Algorithm for Mixture Analysis.
Abstract
              Identifying mixture components is a well-known challenge in analytical chemistry. The Inverted Library Search Algorithm is a recently proposed method for identifying mixture components, using in-source collision induced dissociation (is-CID) mass spectra of a query mixture and a reference library of pure compound is-CID mass spectra (J. Am. Soc. Mass Spectrom. 2021, 32 (7), 1725−1734). This article presents several subtle but important advances to the algorithm, including updated compound matching strategies that improve result explainability and spectral filtering to better handle noisy mass spectra as is often observed with real-world samples such as seized drug evidence. (Published abstract provided)
      
  
          Additional Details
Grant Number(s)
        DJO-NIJ-20-RO-0012


  
  
        
  Agencies
        NIJ-Sponsored


  
  
        
  Publication Type
        Research (Applied/Empirical)


  
  
        
  Award
        Development of an Open Source Direct Analysis in Real Time Mass Spectrometry (DART-MS) Search Software and Library Building Tool for the Analysis of Complex Drug Mixtures
    
  
  
Date Published: June 1, 2022
    
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        Maryland
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        Seized drugs



  
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