Integration of stable isotope and trace contaminant concentration for enhanced forensic acetone discrimination

• Published in: Talanta (Oxford) Vol. 116; pp. 866 - 869
• Main Authors: Moran, James J., Ehrhardt, Christopher J., Wahl, Jon H., Kreuzer, Helen W., Wahl, Karen L.
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier B.V 15.11.2013
• Subjects: Acetone; Acetone - classification; Acetone - isolation & purification; Carbon Isotopes; Chemical Terrorism - prevention & control; data collection; Deuterium; Discriminant Analysis; Forensic fingerprinting; forensic sciences; Forensic Sciences - instrumentation; Forensic Sciences - methods; Hexanones - isolation & purification; Humans; Ketones - isolation & purification; Mass Spectrometry - statistics & numerical data; Pentanols - isolation & purification; Pentanones - isolation & purification; Stable isotope; stable isotopes; Trace contaminant analysis; Stable isotope; Forensic fingerprinting; Trace contaminant analysis; Acetone
• ISSN: 0039-9140; 1873-3573
• DOI: 10.1016/j.talanta.2013.07.015

We analyzed 21 neat acetone samples from 15 different suppliers to demonstrate the utility of a coupled stable isotope and trace contaminant strategy for distinguishing forensically-relevant samples. By combining these two pieces of orthogonal data we could discriminate all of the acetones that were produced by the 15 different suppliers. Using stable isotope ratios alone, we were able to distinguish 8 acetone samples, while the remaining 13 fell into four clusters with highly similar signatures. Adding trace chemical contaminant information enhanced discrimination to 13 individual acetones with three residual clusters. The acetones within each cluster shared a common manufacturer and might, therefore, not be expected to be resolved. The data presented here demonstrates the power of combining orthogonal data sets to enhance sample fingerprinting and highlights the role disparate data could play in future forensic investigations. •A need exists for fingerprinting starting materials used for illicit synthesis.•Stable isotope and trace contaminant analysis can aid in fingerprinting.•We tested a combined, hierarchical approach using acetone samples.•The results demonstrate enhanced differentiation versus the isotope method alone.•This method could be applied to forensic fingerprinting of wide ranges of compounds.