Hierarchical Cluster Analysis of Ignitable Liquids Based on the Total Ion Spectrum

    Authors

    E. E. Waddell; J. L. Frisch-Daiello; M. R. Williams;M. E. Sigman

    Comments

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    Abbreviated Journal Title

    J. Forensic Sci.

    Keywords

    forensic science; hierarchical cluster analysis; ignitable liquids; total ion spectrum; gas chromatography-mass spectrometry; chemometrics; FIRE DEBRIS ANALYSIS; GAS CHROMATOGRAPHY/MASS SPECTROMETRY; CORRECT; CLASSIFICATION RATES; ARTIFICIAL NEURAL-NETWORKS; GASOLINE; PROGRESS; SAMPLES; Medicine, Legal

    Abstract

    Gas chromatography-mass spectrometry (GC-MS) data of ignitable liquids in the Ignitable Liquids Reference Collection (ILRC) database were processed to obtain 445 total ion spectra (TIS), that is, average mass spectra across the chromatographic profile. Hierarchical cluster analysis, an unsupervised learning technique, was applied to find features useful for classification of ignitable liquids. A combination of the correlation distance and average linkage was utilized for grouping ignitable liquids with similar chemical composition. This study evaluated whether hierarchical cluster analysis of the TIS would cluster together ignitable liquids of the same ASTM class assignment, as designated in the ILRC database. The ignitable liquids clustered based on their chemical composition, and the ignitable liquids within each cluster were predominantly from one ASTM E1618-11 class. These results reinforce use of the TIS as a tool to aid in forensic fire debris analysis.

    Journal Title

    Journal of Forensic Sciences

    Volume

    59

    Issue/Number

    5

    Publication Date

    1-1-2014

    Document Type

    Article

    Language

    English

    First Page

    1198

    Last Page

    1204

    WOS Identifier

    WOS:000342679300004

    ISSN

    0022-1198

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