Characterizing the gas phase ion chemistry of an ion trap mobility spectrometry based explosive trace detector using a tandem mass spectrometer

Talanta

Volumn 99, Issue , 2012, Pages 799-810

  Kozole, Joseph ^a,b   Tomlinson Phillips, Jill ^a   Stairs, Jason R ^a   Harper, Jason D ^a,b   Lukow, Stefan R ^a   Lareau, Richard T ^a   Boudries, Hacene ^c   Lai, Hanh ^c   Brauer, Carolyn S ^a  

^a US Department of Homeland Security   (United States)

^b NOVA RESEARCH INC   (United States)

^c Morpho Detection Inc   (United States)

Author keywords

Density functional theory (DFT); Explosives trace detector (ETD); Gas phase ion chemistry; Ion trap mobility spectrometry (ITMS); Tandem mass spectrometry (MS)

Indexed keywords

DENSITY FUNCTIONAL THEORY; ETHYLENE; ETHYLENE GLYCOL; EXPLOSIVES; GASES; IONIZATION OF GASES; IONS; ISOMERS; MASS SPECTROMETERS; MASS SPECTROMETRY; NITRATES; PHASE COMPARATORS;

COMMERCIAL OFF-THE SHELVES; GAS PHASE ION CHEMISTRY; ION TRAPS; NUCLEOPHILIC SUBSTITUTIONS; OPERATIONAL EFFECTIVENESS; PENTAERYTHRITOL TETRANITRATE; TANDEM MASS SPECTROMETRY; TRIPLE-QUADRUPOLE MASS SPECTROMETER;

ION MOBILITY SPECTROMETERS;

EID: 84866062722     PISSN: 00399140     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.talanta.2012.07.030     Document Type: Article

References (51)

1. D.D. Fetterolf, and T.D. Clark J. Forensic Sci. 38 1993 28 39
2. R.G. Ewing, D.A. Atkinson, G.A. Eiceman, and G.J. Ewing Talanta 54 2001 515 529
3. D.S. Moore Rev. Sci. Instrum. 75 2004 2499
4. G.A. Eiceman, and J.A. Stone Anal. Chem. 76 2004 390A 397A
5. G.A. Eiceman, and Z. Karpas Ion Mobility Spectrometry 2nd ed. 2005 CRC Press Taylor & Francis Group Boca Raton, FL
6. C.J. Proctor, and J.F.J. Todd Anal. Chem. 56 1984 1794 1797
7. L.L. Danylewych-May, in: Proceedings of the 1st International Symposium on Explosive Detection Technology, Atlantic City, NJ, 1991, pp. 672-686.
8. V. Bocos-Bintintan, A. Brittain, and C.L.P. Thomas Analyst 126 2001 1539 1544
9. K.A. Daum, D.A. Atkinson, and R.G. Ewing Talanta 55 2001 491 500
10. K.A. Daum, D.A. Atkinson, and R.G. Ewing Int. J. Mass Spectrom. 214 2002 257 267
11. A.J. Marr, and D.M. Groves Int. Soc. Ion Mob. Spectrom. 6 2003 59 62
12. J. Kozole, J.R. Stairs, I. Cho, J.D. Harper, S.R. Lukow, R.T. Lareau, R. DeBono, and F. Kuja Anal. Chem. 83 2011 8596 8603
13. A. Jenkins, US Patent 5,200,614, April 6, 1993.
14. A. Jenkins, W.J. McGann, US Patent 5,491,337, February 13, 1996.
15. A. Kanu, C. Wu, and H. Hilljr Anal. Chim. Acta 610 2008 125 134
16. A.W. Szumlas, D.A. Rogers, and G.M. Hieftje Rev. Sci. Instrum. 76 2005 086108
17. J. Puton, A. Knap, and B. Siodłowski Sens. Actuators B 135 2008 116 121
18. C.S. Hoaglund, S.J. Valentine, and D.E. Clemmer Anal. Chem. 69 1997 4156 4161
19. D. Douglas, and J. French J. Am. Soc. Mass Spectrom. 3 1992 398 408
20. A. Sysoev, A. Adamov, J. Viidanoja, R.A. Ketola, R. Kostiainen, and T. Kotiaho Rapid Commun. Mass Spectrom. 18 2004 3131 3139
21. A. Krutchinsky, I. Chernushevich, V. Spicer, W. Ens, and K. Standing J. Am. Soc. Mass Spectrom. 9 1998 569 579
22. K. Tang, A.A. Shvartsburg, H.-N. Lee, D.C. Prior, M.A. Buschbach, F. Li, A.V. Tolmachev, G.A. Anderson, and R.D. Smith Anal. Chem. 77 2005 3330 3339
23. A. Frisch, H.P. Hratchian, R.D.D. II, T.A. Keith, J. Millam, A.B. Nielsen, A.J. Holder, and J. Hiscocks GaussView 5 Reference 2009 Gaussian, Inc. Wallingford
24. Gaussian 09, Revision A.1, M.J. Frisch, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox., Gaussian, Inc., Wallingford, CT, 2009.
25. E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO Version 3.1.
26. G. Kaur-Atwal, G. O'Connor, A.A. Aksenov, V. Bocos-Bintintan, C.L. Paul Thomas, and C.S. Creaser Int. J. Ion Mob. Spectrom. 12 2009 1 14
27. G.E. Spangler, in: Proceedings of the Third International Workshop on Ion Mobility Spectrometry, Galveston, TX, 1995, pp. 115-133.
28. A. Good, D.A. Durden, and P. Kebarle J. Chem. Phys. 52 1970 212 221
29. S.L. Chong, J. Ransom, A. Myers, and J.L. Franklin J. Chem. Phys. 56 1972 2427 2430
30. R.G. Ewing, M.J. Waltman, and D.A. Atkinson Anal. Chem. 83 2011 4838 4844
31. G.A. Eiceman, D. Preston, G. Tiano, J. Rodriguez, and J.E. Parmeter Talanta 45 1997 57 74
32. C. OOmmen, and S.R. Jian J. Hazard. Mater. A67 1999 253 281
33. J.C. Oxley, J.L. Smith, and H. Chen Propellants, Explos., Pyrotech. 27 2002 209 216
34. J.C. Oxley, J.L. Smith, H. Chen, and E. Cioffi Thermochim. Acta 388 2002 215 225
35. G.E. Spangler, and P.A. Lawless Anal. Chem. 50 1978 884 892
36. M. Tam, and H.H. Hill Anal. Chem. 76 2004 2741 2747
37. G.E. Spangler, J.P. Carrico, S.H. Kim, in: Proceedings of the International Symposium on Analysis and Detection of Explosives, FBI Academy, Quantico, VA, 1983, pp. 267-282.
38. D. Chakraborty, R.P. Muller, S. Dasgupta, and W.A. Goddard III J. Comput.-Aided Mater. Des. 8 2001 203 212
39. M.H. Liu, and G.F. Zheng J. Theor. Comput. Chem. 6 2007 341 352
40. A.C. Landerville, I.I. Oleynik, and C.T. White Shock Compression Condens. Matter 2009 813 816
41. W.L. Ng, J.E. Field, and H.M. Hauser J. Appl. Phys. 59 1986 3945 3952
42. M.A. Hiskey, K.R. Brower, and J.C. Oxley J. Phys. Chem. 95 1991 3955 3960
43. M. Li, G. Wang, X. Guo, Z. Wu, and H. Song J. Mol. Struct.: Theochem 900 2009 90 95
44. G.R. Asbury, J. Klasmeier, and H.H Hill Jr. Talanta 50 2000 1291 1298
45. E. Arunan, G.R. Desiraju, R.A. Klein, J. Sadlej, S. Scheiner, I. Alkorta, D.C. Clary, R.H. Crabtree, J.J. Dannenberg, P. Hobza, H.G. Kjaergaard, A.C. Legon, B. Mennucci, and D.J. Nesbitt Pure Appl. Chem. 83 2011 1619 1636
46. R. Gunawan, and D. Zhang J. Hazard. Mater. 165 2009 751 758
47. S. Chang, H. Ko, S. Singamaneni, R. Gunawidjaja, and V.V. Tsukruk Anal. Chem. 81 2009 5740 5748
48. J. Tomlinson-Phillips, J. Kozole, C.S. Brauer, A. Wooten, J. Harper, J. Stairs, in: Proceedings of the Gordon Research Conference Detecting Illicit Substances: Explosives & Drugs, Lucca, Italy, 2011.
49. C.K. Hilton, C.A. Krueger, A.J. Midey, M. Osgood, J. Wu, and C. Wu Int. J. Mass Spectrom. 298 2010 64 71
50. A.H. Lawrence, and P. Neudorfl Anal. Chem. 60 1988 104 109
51. T.L. Buxton, and P.d.B. Harrington Anal. Chim. Acta 434 2001 269 282