A fast liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QToF-MS) method for the identification of organic explosives and propellants

Forensic Science International

Volumn 233, Issue 1-3, 2013, Pages 63-74

  DeTata, David ^a,b   Collins, Peter ^a   McKinley, Allan ^b  

^a Forensic Science Laboratory   (Australia)

^b UNIVERSITY OF WESTERN AUSTRALIA   (Australia)

Author keywords

Forensic science; Liquid chromatography; Nitroaromatics; Organic explosives; Peroxide explosives; Time of flight mass spectrometry

Indexed keywords

EXPLOSIVE; ORGANIC COMPOUND; PROPELLANT;

ANALYTICAL PARAMETERS; ARTICLE; ATMOSPHERIC PRESSURE CHEMICAL IONISATION; CONTROLLED STUDY; DATA BASE; ENVIRONMENT; FORENSIC SCIENCE; LIMIT OF DETECTION; LIQUID CHROMATOGRAPHY; LIQUID CHROMATOGRAPHY QUADRUPOLE TIME OF FLIGHT MASS SPECTROMETRY; MOLECULAR WEIGHT; PRIORITY JOURNAL; RETENTION TIME; SCORING SYSTEM; SENSITIVITY AND SPECIFICITY; TIME OF FLIGHT MASS SPECTROMETRY;

EID: 84884345032     PISSN: 03790738     EISSN: 18726283     Source Type: Journal    
DOI: 10.1016/j.forsciint.2013.08.007     Document Type: Article

References (62)

1. USEPA SW 846 Method 8330: USEPA Nitroaromatics and Nitramines by High Performance Liquid Chromatography (HPLC) 1994, 1-21. Environmental Protection Agency, Washington, DC.
2. Agrawal J.P. Some new high energy materials and their formulations for specialized applications. Prop. Explos. Pyrotech. 2005, 30(5):316-328.
3. Explosive Effects and Applications 1998, Springer-Verlag Inc, New York. J.A. Zukas, W.P. Walters (Eds.).
4. Badgujar D.M., Talawar M.B., Asthana S.N., Mahulikar P.P. Advances in science and technology of modern energetic materials: an overview. J. Hazard. Mater. 2008, 151:289-305.
5. Oxley J.C., Smith J.L., Huang J., Luo W. Destruction of peroxide explosives. J. Forensic Sci. 2009, 54:5.
6. Östmark H., Wallin S., Ang H.G. Vapor pressure of explosives: a critical review. Prop. Explos. Pyrotech. 2012, 37:12-23.
7. Peňa-Quevedo A.J., Cody R.B., Mina-Calmide N., Ramos M., Hernádez-Rivera S.P. Characterization and differentiation of high energy amine peroxides by direct analysis in real time TOF/MS. Proceedings of SPIE - The International Society for Optical Engineering (Sensors, and Command, Control, Communications, and Intelligence (C31) Technologies for Homeland Security and Homeland Defense (VI) 2007, The International Society for Optical Engineering, Bellingham, WA.
8. Bloomer J. Incidents Involving MEKP 2009, Australian Bomb Data Centre, Canberra, Australia, RFI057.
9. FlashBangBoom.Homestead.com, "Procedures to Make Explosives", and ScienceMadness Discussion Board, "The Art and Science of Amateur Experimentalism". http://www.sciencemadness.org/talk/viewthread.php?tid=3305.
10. ScienceMadness Discussion Board, "The Art and Science of Amateur Experimentalism". http://www.sciencemadness.org/talk/viewthread.php%3Ftid=3453%26page=4%23pid222551.
11. FlashBangBoom. and. http://www.shadowrx.com/forums/showthread.php%3Ft=1149.
12. Tamiri T., Rozin R., Lemberger N., Almog J. Urea nitrate, an exceptionally easy-to-make improvised explosive: studies towards trace characterisation. Anal. Bioanal. Chem. 2009, 395:421-428.
13. Oxley J.C., Smith J.L., Naik S., Moran J. Decompositions of urea and guanidine nitrates. J. Energ. Mater. 2009, 27:17-39.
14. Yeager K. Erythritol tetranitrate & nitrated sugar subsititutes. New explosive threats. FBI Bomb Data Center Invest. Bull. 2010.
15. Almog J., Burda G., Shloosh Y., Abramovich-Bar S., Wolf E., Tamiri T. Recovery and detection of urea nitrate in traces. J. Forensic Sci. 2007, 52(6).
16. Tamiri T. Characterization of the improvised explosive urea nitrate using electrospray ionization and atmospheric pressure chemical ionization. Rapid Commun. Mass Spectrom. 2005, 19:2094-2098.
17. Gaurav D., Malik A.K., Rai P.K. High-performance liquid chromatographic methods for the analysis of explosives. Crit. Rev. Anal. Chem. 2007, 37:227-268.
18. Xu X., van de Craats A.M., Kok E.M., de Bruyn P.C.A.M. Trace analysis of peroxide explosives by high performance liquid chromatography-atmospheric pressure chemical ionization-tandem mass spectrometry (HPLC-APCI-MS/MS) for forensic applications. J. Forensic Sci. 2004, 46(6):1230-1236.
19. Holmgren E., Carlsson H., Goedea P., Crescenzi C. Determination and characterization of organic explosives using porous graphitic carbon and liquid chromatography-atmospheric pressure chemical ionization mass spectrometry. J. Chromatogr. A 2005, 1099:127-135.
20. Crescenzi C., Albinana J., Carlsson H., Holmgren E., Batlle R. On-line strategies for determining trace levels of nitroaromatic explosives and related compounds in water. J. Chromatogr. A 2007, 1153:186-193.
21. Tachon R., Pichon V., Le Borgne M.B., Minet J.-J. Use of porous graphitic carbon for the analysis of nitrate ester, nitramine and nitroaromatic explosives and by-products by liquid chromatography-atmospheric pressure chemical ionisation-mass spectrometry. J. Chromatogr. A 2007, 1154:174-181.
22. Perret D., Marchese S., Gentili A., Curini R., Terracciano A., Bafile E., et al. LC-MS-MS determination of stabilizers and explosives residues in hand-swabs. Chromatographia 2008, 68:517-524.
23. Voyksner R.D., Yinon J. Trace analysis of explosives by thermospray high-performance liquid chromatography-mass spectrometry. J. Chromatogr. 1986, 354:393-405.
24. Zhao X., Yinon J. Identification of nitrate ester explosives by liquid chromatography-electrospray ionization and atmospheric pressure chemical ionization mass spectrometry. J. Chromatogr. A 2002, 977:59-68.
25. Xu X., van de Craats A.M., de Bruyn P.C.A.M. Highly sensitive screening method for nitroaromatic, nitramine and nitrate ester explosives by high performance liquid chromatography-atmospheric pressure ionization-mass spectrometry (HPLC-API-MS). J. Forensic Sci. 2004, 49(6):1171-1180.
26. Jiang G. Simultaneous UHPLC/MS Analyses of Explosive Compounds 2010, Thermo Fisher Scientific, San Jose CA, USA.
27. Casetta B., Garofolo F. Characterization of explosives by liquid chromatography/mass spectrometry and liquid chromatography/tandem mass spectrometry using electrospray ionization and parent-ion scanning techniques. Org. Mass Spectrom. 1994, 29:517-525.
28. Yinon J., McClellan J.J.E., Yost R.A. Electrospray ionization tandem mass spectrometry collision-induced dissociation study of explosives in an ion trap mass spectrometer. Rapid Commun. Mass Spectrom. 1997, 2:1961-1970.
29. Almog J., Burda G., Shloosh Y., Abramovich-Bar S., Wolf E., Tamiri T. Recovery and detection of urea nitrate in traces. J. Forensic Sci. 2007, 52(6):1284-1290.
30. Oxley J.C., Smith J.L., Brady J.E., Brown A.C. Characterization and analysis of tetranitrate esters. Prop. Explos. Pyrotech. 2012, 37:24-39.
31. Widmer L., Watson S., Schlatter K., Crowson A. Development of an LC/MS method for the trace analysis of triacetone triperoxide. Analyst 2002, 127:1627-1632.
32. Sigman M.E., Clark C.D., Caiano T., Mullen R. Analysis of triacetone triperoxide (TATP) and TATP synthetic intermediates by electrospray ionization mass spectrometry. Rapid Commun. Mass Spectrom. 2008, 22:84-90.
33. Crowson A., Beardah M.S. Development of an LC/MS method for the trace analysis of hexamethylenetriperoxidediamine (HMTD). Analyst 2001, 126:1689-1693.
34. Peňa-Quevedo A.J., Laramee J.A., Dupont Durst H., Hernádez-Rivera S.P. Cyclic organic peroxides characterization by mass spectrometry and Raman microscopy. IEEE Sens. J. 2011, 11(4):1053-1060.
35. Tong Y., Wu Z., Yang C., Yu J., Zhang X., Yang S., et al. Determination of diphenylamine stabilizer and its nitrated derivatives in smokeless gunpowder using a tandem MS method. Analyst 2001, 126:480-484.
36. Laza D., Nys B., De Kinder J., Kirsch-De Mesmaeker A., Moucheron C. Development of a quantitative LC-MS/MS method for the analysis of common propellant powder stabilizers in gunshot residue. J. Forensic Sci. 2007, 52(4).
37. Mathis J.A., McCord B.R. Gradient reversed-phase liquid chromatographic-electrospray ionization mass spectrometric method for the comparison of smokeless powders. J. Chromatogr. A 2003, 988:107-116.
38. Kinghorn R., Milner C. Analysis of Trace Residue of Explosive Materials by Time-of-Flight LC/MS 2007, Agilent Technologies, Wilmington, DE.
39. Garofolo F., Longo A., Migliozzi V., Tallarico C. Quantitative analysis of thermostable explosive compounds by combined liquid chromatography/tandem mass spectrometry. Rapid Commun. Mass Spectrom. 1996, 10:1273-1277.
40. Fu X., Zhang Y., Shi S., Gao F., Wen D., Li W., et al. Fragmentation study of hexanitrostilbene by ion trap multiple mass spectrometry and analysis by liquid chromatography/mass spectrometry. Rapid Commun. Mass Spectrom. 2006, 20:2906-2914.
41. Colorado A. Analysis of TNT, RDX and CL-20 by APCI LC/MS/MS 2004, Varian Inc, Varian LC/MS Application Note 18.
42. Szecsody J.E., Girvin D.C., Devary B.J., Campbell J.A. Sorption and oxic degradation of the explosive CL-20 during transport in subsurface sediments. Chemosphere 2004, 56:593-610.
43. Denekamp C., Tsoglin A. Development of mass spectrometric method for analysis of cyclic nitramine explosives DTIW and HNIW. Anal. Chem. 2005, 77:7796-7800.
44. Campbell J.A., Szecsody J.E., Devary B.J., Valenzuela B.R. Electrospray ionization mass spectrometry of hexanitrohexaazaisowurtzitane (CL-20). Anal. Lett. 2007, 40(10):1972-1978.
45. Platten W.E., Bailey D., Suidan M.T., Maloney S.W. Biological transformation pathways of 2,4-dinitro anisole and N-methyl paranitro aniline in anerobic fluidized-bed bioreactors. Chemosphere 2010, 81(9):1131-1136.
46. Maloney S.W., Platten W.E., Bailey D., Suidan M.T. Anaerobic Treatment of Wastewaters Containing 2,4-dinitroanisole and N-methyl paranitro aniline from Munitions Handling and Production 2011, US Army Cold Corps of Engineers, Construction Engineering Research Laboratory, Champaign, IL, ERDC/CERL TR-11-9.
47. Petterson A., Goede P., Kjellstrom A., Wallin S. Mass Spectrometric Study on FOX-7 Decomposition 2004, Swedish Defence Agency, Technical Report.
48. Varga R., Zeman S., Kouba M. Decomposition of some polynitro arenes initiated by heat and shock part II: several N-(2,4,6-trinitrophenyl)-substituted amino derivatives. J. Hazard. Mater. 2006, A137:1345-1351.
49. Le Campion L., Adeline M.T., Ouazzani J. Separation of NTO related 1,2,4-triazole-3-one derivatives by a high performance liquid chromatography and capillary electrophoresis. Prop. Explos. Pyrotech. 1997, 22:233-237.
50. Oehrle S.A. Analysis of 3-Nitro-1,2,4-triazole-5-One (NTO) in explosive mixtures by capillary electrophoresis. Prop. Explos. Pyrotech. 1997, 22:1-3.
51. Le Campion L., Vandais A., Ouazzani J. Microbial remediation of NTO in aqueous industrial wastes. FEMS Microbiol. Lett. 1999, 176:197-203.
52. Oxley J.C., Smith J.L., Zhou Z., McKenney R.L. Thermal decomposition studies on NTO and NTO/TNT. J. Phys. Chem. 1995, 99:10383-10391.
53. 60-fullerene stationary phase. Prop. Explos. Pyrotech. 1998, 23:111-113.
54. Kayser E.G. Analysis Methods for Explosive Materials I. Polynitro Compounds 1982, Naval Surface Weapons Center, Maryland.
55. Schaffer C.L. Analysis of Soil and Water Content for TATB 1992, Mason and Hanger-Silas Mason Co. Inc, Amarillo, Texas, MHSMP-92-40.
56. El Dorado A.R. CIA Field Expedient Methods for Explosives Preparations 1997, Desert Publications.
57. Smith M.E., Wall C.A., Fitzgerald M. Characterisation of the major synthetic products of the reactions between butanone and hydrogen peroxide. Prop. Explos. Pyrotech. 2012, 37:282-287.
58. Peňa-Quevedo A.J., Mina-Calmide N., Rodriguez N., Nieves D., Cody R.B., Hernádez-Rivera S.P. Synthesis, characterization and differentiation of high energy amine peroxides by ms and vibrational microscopy. Proceedings of SPIE - The International Society for Optical Engineering, 6201 (Sensors, and Command, Control, Communications, and Intelligence (C31) Technologies for Homeland Security and Homeland Defense (V) 2006, The International Society for Optical Engineering, Bellingham, WA.
59. Cassada D.A., Monson S.J., Snow D.D., Spalding R.F. Sensitive determination of RDX, nitroso-RDX metabolites, and other munitions in ground water by solid-phase extraction and isotope dilution liquid chromatography-atmospheric pressure chemical ionization mass spectrometry. J. Chromatogr. A 1999, 844:87-95.
60. Milas N.A., Golubović A. Studies in organic peroxides. XXV. Preparation, separation and identification of peroxides derived from methyl ethyl ketone and hydrogen peroxide. J. Am. Chem. Soc. 1959, 81:5824-5826.
61. Bulusu S., Axenrod T. Electron impact fragmentation mechanisms of 2,4,6-trinitrotoluene derived from metastable transitions and isotopic labeling. Org. Mass Spectrom. 1979, 14(11):585-592.
62. Dorsett H. Computational Studies of FOX-7. A New Insensitive Explosive 2000, Weapons Systems Division, Edinburgh, South Australia, DSTO-TR-1054.