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                            Library & Multimedia
 Statistical Comparison of Mass Spectra for Identification of Amphetamine-type Stimulants
NCJ Number
              252450
Journal

*Forensic Science International* Volume: 270 Dated: January 2017 Pages: 111-120
Author(s)
          Melissa A. Rodnar Willard;
                        Victoria L. McGuffin;
                        Ruth W. Smith
Date Published

January 2017
Length
              10 pages
Annotation
              This research demonstrated a method for the statistical comparison of mass spectral data for applications in controlled substance analysis.
Abstract
              The method uses an unequal variance t-test at each mass-to-charge ratio in the scan range to determine whether two spectra are statistically associated or discriminated. If the two spectra are associated, a random-match probability is calculated to estimate the likelihood that the mass spectral fragmentation pattern in question occurs by random chance alone. If the two spectra are discriminated, the fragment ions responsible for the discrimination are determined. The current study examined mass spectral data from case samples containing amphetamine, methamphetamine, 3,4-methylenedioxyamphetamine (MDA), 3,4-methylenedioxymethamphetamine (MDMA), phentermine, and psilocin. All spectra were collected in an accredited forensic laboratory, using routine methods for controlled substance analysis. Using the statistical method, spectra of case samples were statistically associated to the corresponding reference standard at the 99.9-percent confidence level. In these instances, random-match probabilities ranged from 10−39 to 10−29, indicating the probability that the characteristic fragmentation pattern occurred by random chance was extremely small. Further, spectra of case samples were discriminated from other reference standards at the 99.9-percent or 99.0-percent confidence level, with 1-26 ions responsible for discrimination in each comparison. (Publisher abstract modified)
      
  
          Additional Details
Grant Number(s)
        2015-IJ-CX-K008


  
  
        
  Agencies
        NIJ-Sponsored


  
  
        
  Publication Type
        Research (Applied/Empirical)
                                Report (Study/Research)
                                Report (Grant Sponsored)
                                Program/Project Description


  
  
        
  Award
        Statistical and Mass Spectral Tools for the Identification and Characterization of Synthetic Phenethylamines
    
  
  
Date Published: January 1, 2017
    
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        Comparative Analysis
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