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                            Library & Multimedia
 Utilizing Direct Analysis in Real Time-High Resolution Mass Spectrometry-Derived Dark Matter Spectra to Classify and Identify Unknown Synthetic Cathinones
NCJ Number
              307041
Journal

*Methods in Molecular Biology* Volume: 1810 Dated: 2018 Pages: 217-225
Author(s)
          Kristen L. Fowble;
                        Rabi A. Musah
Date Published

2018
Length
              9 pages
Annotation
              This article presents research into a novel approach to identify cathinone-based drugs using statistical analysis processing in real time-high resolution mass spectrometry.
Abstract
              The authors describe a new method of statistical analysis processing of direct analysis in real time-high resolution mass spectrometry-derived neutral loss spectra of synthetic cathinones. The dark matter observed under collision-induced dissociation conditions is rendered as “neutral loss spectra,” and these are subsequently subjected to statistical analysis processing, specifically hierarchical clustering analysis. The resulting hierarchical clustering dendrogram provides a means by which to classify an unknown as a member of a subgroup of cathinones, based on structural similarity of its backbone to that of the scaffolds of the drugs represented in the training set. The described method can be utilized for the classification and identification of a number of classes of psychoactive compounds. (Published Abstract Provided)
      
  
          Additional Details
Grant Number(s)
        2015-DN-BX-K057


  
  
        
  Agencies
        NIJ-Sponsored


  
  
        
  Publication Type
        Research (Applied/Empirical)


  
  
        
  Award
        Development of Ambient Ionization Mass Spectrometric and Multivariate Statistical Analysis Methods for Rapid High Throughput Analysis and Identification of Psychotropic Plant Species
    
  
  
Date Published: January 1, 2018
    
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