Technical Note

Detection and Classification of Ignitable Liquid Residues in the Presence of Matrix Interferences by Using Direct Analysis in Real Time Mass Spectrometry^†, ^‡

Isabella Barnett B.S.

Forensic Science Program, College of Basic and Applied Sciences, Middle Tennessee State University, Murfreesboro, TN, 37132

Search for more papers by this author

Frank C. Bailey Ph.D.,

Frank C. Bailey Ph.D.

Forensic Science Program, College of Basic and Applied Sciences, Middle Tennessee State University, Murfreesboro, TN, 37132

Department of Biology, Middle Tennessee State University, Murfreesboro, TN, 37132

Search for more papers by this author

Mengliang Zhang Ph.D.,

Corresponding Author

Mengliang Zhang Ph.D.

[email protected]

orcid.org/0000-0001-8366-0052

Forensic Science Program, College of Basic and Applied Sciences, Middle Tennessee State University, Murfreesboro, TN, 37132

Department of Chemistry, Middle Tennessee State University, Murfreesboro, TN, 37132

Corresponding author: Mengliang Zhang, Ph.D. E-mail: [email protected]Search for more papers by this author

Isabella Barnett B.S.,

Isabella Barnett B.S.

Forensic Science Program, College of Basic and Applied Sciences, Middle Tennessee State University, Murfreesboro, TN, 37132

Search for more papers by this author

Frank C. Bailey Ph.D.,

Frank C. Bailey Ph.D.

Forensic Science Program, College of Basic and Applied Sciences, Middle Tennessee State University, Murfreesboro, TN, 37132

Department of Biology, Middle Tennessee State University, Murfreesboro, TN, 37132

Search for more papers by this author

Mengliang Zhang Ph.D.,

Corresponding Author

Mengliang Zhang Ph.D.

[email protected]

orcid.org/0000-0001-8366-0052

Forensic Science Program, College of Basic and Applied Sciences, Middle Tennessee State University, Murfreesboro, TN, 37132

Department of Chemistry, Middle Tennessee State University, Murfreesboro, TN, 37132

Corresponding author: Mengliang Zhang, Ph.D. E-mail: [email protected]Search for more papers by this author

First published: 21 February 2019

https://doi.org/10.1111/1556-4029.14029

Citations: 27

^†

Accepted for presentation at the 71st Annual Scientific Meeting of the American Academy of Forensic Sciences, February 18-23, 2019, in Baltimore, MD.

^‡

Supported by startup fund to Mengliang Zhang from Middle Tennessee State University (MTSU). MTSU Undergraduate Research Experience and Creative Activity (URECA) grant is acknowledged for the support to Isabella Barnett.

Share a link

Email
Wechat
Bluesky

Abstract

Conventional Gas Chromatography-Mass Spectrometry (GC-MS) methods for the analysis of ignitable liquids (ILs) are usually time-consuming, and the data produced are difficult to interpret. A fast IL screening method using direct analysis in real time mass spectrometry (DART-MS) is proposed in this study. GC-MS, QuickStrip DART-MS, and thermal desorption DART-MS methods were used to analyze neat ILs and thermal desorption DART-MS without extraction was used to analyze ILs on five substrates (e.g., carpet, wood, cloth, sand, and paper). Compared to GC-MS, DART-MS methods generated different spectral profiles for neat ILs with more peaks in the higher mass range and also provided better detection of less volatile compounds. ILs on substrates were successfully classified (98 ± 1%) using partial least squares discriminant analysis (PLS-DA) models based on thermal desorption DART-MS data. This study shows that DART-MS has great potential for the high-throughput screening of ILs on substrates.

Supporting Information

References

1 ASTM International. ASTM E1618–14: standard test method for ignitable liquid residues in extracts from fire debris samples by gas chromatography-mass spectrometry. West Conshohocken, PA: ASTM International, 2014.
Google Scholar
2Sigman ME, Williams MR, Castelbuono JA, Colca JG, Clark CD. Ignitable liquid classification and identification using the summed-ion mass spectrum. Instrum Sci Technol 2008; 36(4): 375–93.
10.1080/10739140802151440
CAS Web of Science® Google Scholar
3Waddell EE, Song ET, Rinke CN, Williams MR, Sigman ME. Progress toward the determination of correct classification rates in fire debris analysis. J Forensic Sci 2013; 58(4): 887–96.
10.1111/1556-4029.12159
PubMed Web of Science® Google Scholar
4Waddell EE, Williams MR, Sigman ME. Progress toward the determination of correct classification rates in fire debris analysis II: utilizing soft independent modeling of class analogy (SIMCA). J Forensic Sci 2014; 59(4): 927–35.
10.1111/1556-4029.12417
CAS PubMed Web of Science® Google Scholar
5Lopatka M, Sigman ME, Sjerps MJ, Williams MR, Vivo-Truyols G. Class-conditional feature modeling for ignitable liquid classification with substantial substrate contribution in fire debris analysis. Forensic Sci Int 2015; 252: 177–86.
10.1016/j.forsciint.2015.04.035
CAS PubMed Web of Science® Google Scholar
6Adutwum LA, Abel RJ, Harynuk J. Total ion spectra versus segmented total ion spectra as preprocessing tools for gas chromatography - mass spectrometry data. J Forensic Sci 2018; 63(4): 1059–68.
10.1111/1556-4029.13657
CAS PubMed Web of Science® Google Scholar
7 Online Substrate Database. National Center for Forensic Science, University of Central Florida; http://ilrc.ucf.edu/substrate/(accessed October 7, 2018).
Google Scholar
8 ASTM International. ASTM E2154–15a: standard practice for separation and concentration of ignitable liquid residues from fire debris samples by passive headspace concentration with solid phase microextraction (SPME). West Conshohocken, PA: ASTM International, 2015.
Google Scholar
9Romao W, Tose LV, Vaz BG, Sama SG, Lobinski R, Giusti P, et al. Petroleomics by direct analysis in real time-mass spectrometry. J Am Soc Mass Spectrom 2016; 27(1): 182–5.
10.1007/s13361-015-1266-z
CAS PubMed Web of Science® Google Scholar
10Barnett I, Zhang M. Discrimination of brands of gasoline by using DART-MS and chemometrics. Forensic Chem 2018; 10: 58–66.
10.1016/j.forc.2018.07.003
CAS Web of Science® Google Scholar
11Pavlovich MJ, Musselman B, Hall AB. Direct analysis in real time-mass spectrometry (DART-MS) in forensic and security applications. Mass Spectrom Rev 2018; 37(2): 171–87.
10.1002/mas.21509
CAS PubMed Web of Science® Google Scholar
12Sisco E, Verkouteren J, Staymates J, Lawrence J. Rapid detection of fentanyl, fentanyl analogues, and opioids for on-site or laboratory based drug seizure screening using thermal desorption DART-MS and ion mobility spectrometry. Forensic Chem 2017; 4: 108–15.
10.1016/j.forc.2017.04.001
CAS PubMed Web of Science® Google Scholar
13Sisco E, Forbes TP, Staymates ME, Gillen G. Rapid analysis of trace drugs and metabolites using a thermal desorption DART-MS configuration. Anal Methods 2016; 8(35): 6494–9.
10.1039/C6AY01851C
CAS PubMed Web of Science® Google Scholar
14Forbes TP, Sisco E, Staymates M. Detection of nonvolatile inorganic oxidizer-based explosives from wipe collections by infrared thermal desorption-direct analysis in real time mass spectrometry. Anal Chem 2018; 90(11): 6419–25.
10.1021/acs.analchem.8b01037
CAS PubMed Web of Science® Google Scholar
15Forbes TP, Sisco E, Staymates M, Gillen G. DART-MS analysis of inorganic explosives using high temperature thermal desorption. Anal Methods 2017; 9(34): 4988–96.
10.1039/C7AY00867H
CAS PubMed Web of Science® Google Scholar
16Maric M, Marano J, Cody RB, Bridge C. DART-MS: a new analytical technique for forensic paint analysis. Anal Chem 2018; 90(11): 6877–84.
10.1021/acs.analchem.8b01067
CAS PubMed Web of Science® Google Scholar
17Zhang M, Harrington Pde B. Automated pipeline for classifying Aroclors in soil by gas chromatography/mass spectrometry using modulo compressed two-way data objects. Talanta 2013; 117: 483–91.
10.1016/j.talanta.2013.09.050
CAS PubMed Web of Science® Google Scholar
18Frisch-Daiello JL, Williams MR, Waddell EE, Sigman ME. Application of self-organizing feature maps to analyze the relationships between ignitable liquids and selected mass spectral ions. Forensic Sci Int 2014; 236: 84–9.
10.1016/j.forsciint.2013.12.026
CAS PubMed Web of Science® Google Scholar
19Ledford EB Jr, Rempel DL, Gross ML. Space charge effects in Fourier transform mass spectrometry. Mass calibration. Anal Chem 1984; 56(14): 2744–8.
10.1021/ac00278a027
CAS PubMed Web of Science® Google Scholar
20Kim DJ, Lee KT. Determination of monomers and oligomers in polyethylene terephthalate trays and bottles for food use by using high performance liquid chromatography-electrospray ionization-mass spectrometry. Polym Testing 2012; 31(3): 490–9.
10.1016/j.polymertesting.2012.02.001
CAS Web of Science® Google Scholar
21 United States Environmental Protection Agency. Screening-level hazard characterization: succinimide dispersants category. Washington, DC: United States Environmental Protection Agency, 2012; 6.
Google Scholar
22Cody RB. Observation of molecular ions and analysis of nonpolar compounds with the direct analysis in real time ion source. Anal Chem 2009; 81(3): 1101–7.
10.1021/ac8022108
CAS PubMed Web of Science® Google Scholar
23Waddell EE, Frisch-Daiello JL, Williams MR, Sigman ME. Hierarchical cluster analysis of ignitable liquids based on the total ion spectrum. J Forensic Sci 2014; 59(5): 1198–204.
10.1111/1556-4029.12517
CAS PubMed Web of Science® Google Scholar
24Zhang M, Sun J, Chen P. Development of a comprehensive flavonoid analysis computational tool for ultrahigh-performance liquid chromatography-diode array detection-high-resolution accurate mass-mass spectrometry data. Anal Chem 2017; 89(14): 7388–97.
10.1021/acs.analchem.7b00771
CAS PubMed Web of Science® Google Scholar

Citing Literature

Volume64, Issue5

September 2019

Pages 1486-1494

Detection and Classification of Ignitable Liquid Residues in the Presence of Matrix Interferences by Using Direct Analysis in Real Time Mass Spectrometry^†, ^‡

Abstract

Supporting Information

References

Citing Literature

References

Information

About Wiley Online Library

Help & Support

Opportunities

Connect with Wiley

Detection and Classification of Ignitable Liquid Residues in the Presence of Matrix Interferences by Using Direct Analysis in Real Time Mass Spectrometry†, ‡

Abstract

Supporting Information

References

Citing Literature

References

Related

Information

Detection and Classification of Ignitable Liquid Residues in the Presence of Matrix Interferences by Using Direct Analysis in Real Time Mass Spectrometry^†, ^‡