title: Integration of stable isotope and trace contaminant concentration for enhanced forensic acetone discrimination.
abstract: 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.
authors.affiliation: Pacific Northwest National Laboratory, Chemical and Biological Signature Sciences Group, Richland, WA 99352, USA. Electronic address: James.Moran@pnnl.gov.
authors.forename: James J
authors.initials: JJ
authors.lastname: Moran
authors.forename: Christopher J
authors.initials: CJ
authors.lastname: Ehrhardt
authors.forename: Jon H
authors.initials: JH
authors.lastname: Wahl
authors.forename: Helen W
authors.initials: HW
authors.lastname: Kreuzer
authors.forename: Karen L
authors.initials: KL
authors.lastname: Wahl
mesh_terms: D000096:Acetone / Q000145:classification / Q000302:isolation & purification*; D002247:Carbon Isotopes; D051337:Chemical Terrorism / Q000517:prevention & control; D003903:Deuterium; D016002:Discriminant Analysis; D044707:Forensic Sciences / Q000295:instrumentation / Q000379:methods*; D006588:Hexanones / Q000302:isolation & purification; D006801:Humans; D007659:Ketones / Q000302:isolation & purification; D013058:Mass Spectrometry / Q000706:statistics & numerical data*; D000439:Pentanols / Q000302:isolation & purification; D010422:Pentanones / Q000302:isolation & purification
chemical_list: D002247:Carbon Isotopes; D006588:Hexanones; D007659:Ketones; D000439:Pentanols; D010422:Pentanones; D000096:Acetone; C008374:mesityl oxide; C018637:phorone; D003903:Deuterium; C080344:diacetone alcohol
keywords: Acetone; Forensic fingerprinting; Stable isotope; Trace contaminant analysis