Identification of explosives and explosive formulations using laser electrospray mass spectrometry.

Mass analysis is demonstrated for the detection of sub-microgram quantities of explosive samples on a metallic surface at atmospheric pressure using laser electrospray mass spectrometry (LEMS). A non-resonant femtosecond duration laser pulse vaporizes native samples for subsequent electrospray ionization and transfer into a time-of-flight mass spectrometer. LEMS was used to detect 2,3-dimethyl-2,3-dinitrobutane (DMNB), 1,3,5-trinitroperhydro-1,3,5-triazine (RDX), 3,4,8,9,12,13-hexaoxa-1,6-diazabicyclo[4.4.4]tetradecane (HMTD), and 3,3,6,6,9,9-hexamethyl-1,2,4,5,7,8-hexaoxacyclononane (TATP) deposited on a steel surface. LEMS was also used to directly analyze composite propellant materials containing an explosive to determine the molecular composition of the explosive pellets at atmospheric pressure.

[1]  J. J. Brady,et al.  Analysis of pharmaceutical compounds from glass, fabric, steel, and wood surfaces at atmospheric pressure using spatially resolved, nonresonant femtosecond laser vaporization electrospray mass spectrometry. , 2010, Analytical chemistry.

[2]  R. Lareau,et al.  Characterization of high explosive particles using cluster secondary ion mass spectrometry. , 2006, Rapid communications in mass spectrometry : RCM.

[3]  Matthias Frank,et al.  Identification of high explosives using single-particle aerosol mass spectrometry. , 2007, Analytical chemistry.

[4]  M. Sigman,et al.  In-injection port thermal desorption for explosives trace evidence analysis. , 1999, Analytical chemistry.

[5]  Jacob Grun,et al.  Identification of Explosives with Two-Dimensional Ultraviolet Resonance Raman Spectroscopy , 2008, Applied spectroscopy.

[6]  D. Moore Instrumentation for trace detection of high explosives , 2004 .

[7]  J. Sunner,et al.  Electrospray-assisted laser desorption/ionization mass spectrometry for direct ambient analysis of solids. , 2005, Rapid communications in mass spectrometry : RCM.

[8]  D. Harvan,et al.  Mass spectral fragmentation pathways in RDX and HMX. A mass analyzed ion kinetic energy spectrometric/collisional induced dissociation study , 1982 .

[9]  Akos Vertes,et al.  Ambient molecular imaging and depth profiling of live tissue by infrared laser ablation electrospray ionization mass spectrometry. , 2008, Analytical chemistry.

[10]  P. Harrington,et al.  Trace Explosive Detection in Aqueous Samples by Solid-Phase Extraction Ion Mobility Spectrometry (SPE-IMS) , 2003, Applied spectroscopy.

[11]  A. Tünnermann,et al.  Femtosecond, picosecond and nanosecond laser ablation of solids , 1996 .

[12]  Adam M. Hawkridge,et al.  Generation and detection of multiply-charged peptides and proteins by matrix-assisted laser desorption electrospray ionization (MALDESI) fourier transform ion cyclotron resonance mass spectrometry , 2006, Journal of the American Society for Mass Spectrometry.

[13]  Monica Joshi,et al.  Analysis of volatile components of drugs and explosives by solid phase microextraction-ion mobility spectrometry. , 2008, Journal of separation science.

[14]  Kevin L. McNesby,et al.  Characterization of raman spectral changes in energetic materials and propellants during heating , 1998 .

[15]  J. J. Brady,et al.  Mass spectrometry of intact neutral macromolecules using intense non-resonant femtosecond laser vaporization with electrospray post-ionization. , 2009, Rapid communications in mass spectrometry : RCM.

[16]  Herbert H Hill,et al.  Secondary electrospray ionization-ion mobility spectrometry for explosive vapor detection. , 2004, Analytical chemistry.

[17]  Richard E. Whipple,et al.  Standoff Detection of High Explosive Materials at 50 Meters in Ambient Light Conditions Using a Small Raman Instrument , 2005, Applied spectroscopy.

[18]  A. Marshall,et al.  Composition of explosives by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry. , 2002, Analytical chemistry.

[19]  R. Cooks,et al.  Ambient Mass Spectrometry , 2006, Science.

[20]  David S. Moore,et al.  Recent Advances in Trace Explosives Detection Instrumentation , 2007 .

[21]  R. Yost,et al.  Electrospray ionization tandem mass spectrometry collision‐induced dissociation study of explosives in an ion trap mass spectrometer , 1997 .

[22]  D. King,et al.  Femtosecond Near-Infrared Laser Desorption of Multilayer Benzene on Pt{111} :A Molecular Newton's Cradle? † , 2000 .

[23]  R. Ewing,et al.  A critical review of ion mobility spectrometry for the detection of explosives and explosive related compounds. , 2001, Talanta.

[24]  U. Karst,et al.  Determination of triacetonetriperoxide in ambient air , 2003 .

[25]  R. Cooks,et al.  Droplet dynamics and ionization mechanisms in desorption electrospray ionization mass spectrometry. , 2006, Analytical chemistry.

[26]  S F Hallowell,et al.  Screening people for illicit substances: a survey of current portal technology. , 2001, Talanta.

[27]  M. Sigman,et al.  Liquid chromatography/mass spectrometric analysis of explosives: RDX adduct ions. , 2003, Rapid communications in mass spectrometry : RCM.

[28]  S. W. Thomas,et al.  Amplifying fluorescent polymer sensors for the explosives taggant 2,3-dimethyl-2,3-dinitrobutane (DMNB). , 2005, Chemical communications.

[29]  Kenneth G Furton,et al.  Solid phase microextraction ion mobility spectrometer interface for explosive and taggant detection. , 2005, Journal of separation science.

[30]  M. Sigman,et al.  Detection limits for GC/MS analysis of organic explosives. , 2001, Journal of forensic sciences.

[31]  Adam M. Hawkridge,et al.  Direct characterization of intact polypeptides by matrix-assisted laser desorption electrospray ionization quadrupole Fourier transform ion cyclotron resonance mass spectrometry. , 2007, Rapid communications in mass spectrometry : RCM.

[32]  R. Weinkauf,et al.  Femtosecond versus Nanosecond Multiphoton Ionization and Dissociation of Large Molecules , 1994 .

[33]  Huanwen Chen,et al.  Desorption electrospray ionization of explosives on surfaces: sensitivity and selectivity enhancement by reactive desorption electrospray ionization. , 2005, Analytical chemistry.

[34]  R. Cooks,et al.  Gas-phase reactions for selective detection of the explosives TNT and RDX. , 2004, Chemical communications.

[35]  D. King,et al.  Femtosecond near-infrared laser desorption of multilayer benzene on Pt{111}: spatial origin of hyperthermal desorption , 1999 .

[36]  D. Olson,et al.  A luminescent microporous metal-organic framework for the fast and reversible detection of high explosives. , 2009, Angewandte Chemie.

[37]  Anthony B. Costa,et al.  Simulated splashes: Elucidating the mechanism of desorption electrospray ionization mass spectrometry , 2008 .

[38]  Adam M. Hawkridge,et al.  Development and characterization of an ionization technique for analysis of biological macromolecules: liquid matrix-assisted laser desorption electrospray ionization. , 2008, Analytical chemistry.

[39]  Wayne H. Griest,et al.  Trace Analysis of Explosives in Seawater Using Solid-Phase Microextraction and Gas Chromatography/Ion Trap Mass Spectrometry , 1998 .

[40]  R. Cooks,et al.  In situ trace detection of peroxide explosives by desorption electrospray ionization and desorption atmospheric pressure chemical ionization. , 2008, Analytical chemistry.

[41]  Y. Gupta,et al.  High pressure Raman spectroscopy of single crystals of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). , 2007, The journal of physical chemistry. B.

[42]  Michael E Sigman,et al.  Analysis of triacetone triperoxide by gas chromatography/mass spectrometry and gas chromatography/tandem mass spectrometry by electron and chemical ionization. , 2006, Rapid communications in mass spectrometry : RCM.

[43]  D. Dale,et al.  Determination of nitroaromatic and nitramine explosives from a PTFE wipe using thermal desorption-gas chromatography with electron-capture detection. , 2005, Journal of chromatography. A.

[44]  W. Hung,et al.  Detection of native protein ions in aqueous solution under ambient conditions by electrospray laser desorption/ionization mass spectrometry. , 2008, Analytical chemistry.