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

Kozole, Joseph; Tomlinson-Phillips, Jill; Stairs, Jason R.; Harper, Jason D.; Lukow, Stefan; Lareau, Richard T.; Boudries, H.; Lai, Hanh; Brauer, Carolyn S.

doi:10.1016/j.talanta.2012.07.030

Cited by 45 publications

(43 citation statements)

References 39 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…TNT has been extensively studied by various ionization methods including MS n studies . Figures (e) and (f) show the mass spectra for 2 ng TNT at 5 and 28 Torr.…”

Section: Resultsmentioning

confidence: 99%

Detection of explosives using a hollow cathode discharge ion source

Habib

Chen

Usmanov

et al. 2015

Rapid Commun. Mass Spectrom.

View full text Add to dashboard Cite

Because the major NOx(-) ions (x = 2, 3) produced in the plasma act as reagent ions in ion-molecule reactions of explosives, air is best suited as a carrier gas for the detection of explosives. It is proposed that the NOx(-) (x = 2, 3) and O3 contributed to the formation of [TNT-H](-) and [TNT-NO](-) ions, via the reactions NOx(-) + TNT → [TNT-H](-) + HNOx and [TNT](-) + O3 → [TNT-NO](-) + NO2 + O2.

show abstract

“…TNT has been extensively studied by various ionization methods including MS n studies . Figures (e) and (f) show the mass spectra for 2 ng TNT at 5 and 28 Torr.…”

Section: Resultsmentioning

confidence: 99%

Detection of explosives using a hollow cathode discharge ion source

Habib

Chen

Usmanov

et al. 2015

Rapid Commun. Mass Spectrom.

View full text Add to dashboard Cite

show abstract

“…In addition to [M + NO 3 ] − , NG and PETN gave the ions at m / z 244 and 333, respectively. Kozole et al developed a tandem ion trap mobility‐mass spectrometer and also observed the ions at m / z 244 and 333 for NG and PETN, respectively . They assigned these ions as [M − NO 2 + HNO 3 ] − .…”

Section: Resultsmentioning

confidence: 99%

“…Kozole et al developed a tandem ion trap mobility-mass spectrometer and also observed the ions at m/z 244 and 333 for NG and PETN, respectively. [25] They assigned these ions as [M À NO 2 + HNO 3 ] À . Their identification is followed in Fig.…”

Section: Ionization Of Analytesmentioning

confidence: 99%

Atmospheric pressure chemical ionization of explosives using alternating current corona discharge ion source

Usmanov

Chen

et al. 2015

J. Mass Spectrom.

View full text Add to dashboard Cite

The high-sensitive detection of explosives is of great importance for social security and safety. In this work, the ion source for atmospheric pressure chemical ionization/mass spectrometry using alternating current corona discharge was newly designed for the analysis of explosives. An electromolded fine capillary with 115 µm inner diameter and 12 mm long was used for the inlet of the mass spectrometer. The flow rate of air through this capillary was 41 ml/min. Stable corona discharge could be maintained with the position of the discharge needle tip as close as 1 mm to the inlet capillary without causing the arc discharge. Explosives dissolved in 0.5 µl methanol were injected to the ion source. The limits of detection for five explosives with 50 pg or lower were achieved. In the ion/molecule reactions of trinitrotoluene (TNT), the discharge products of NOx (-) (x = 2,3), O3 and HNO3 originating from plasma-excited air were suggested to contribute to the formation of [TNT - H](-) (m/z 226), [TNT - NO](-) (m/z 197) and [TNT - NO + HNO3 ](-) (m/z 260), respectively. Formation processes of these ions were traced by density functional theory calculations. Copyright © 2015 John Wiley & Sons, Ltd.

show abstract

“…The most important product ion used to verify the presence of alkyl nitrates in IM spectrometry is the adduct ion [M + Cl] – . DFT calculations suggest that the binding energy of the adduct ion [NG + Cl] – (−117 kJ/mol) is higher than that of the adduct ion [NG + NO 3 ] – (−96 kJ/mol) . A consequence of this affinity of the alkyl nitrates to Cl – is its application as a dopant ion.…”

Section: Resultsmentioning

confidence: 99%

Atmospheric pressure chemical ionization of explosives induced by soft X-radiation in ion mobility spectrometry: mass spectrometric investigation of the ionization reactions of drift gasses, dopants and alkyl nitrates

et al. 2016

View full text Add to dashboard Cite

A promising replacement for the radioactive sources commonly encountered in ion mobility spectrometers is a miniaturized, energy-efficient photoionization source that produce the reactant ions via soft X-radiation (2.8 keV). In order to successfully apply the photoionization source, it is imperative to know the spectrum of reactant ions and the subsequent ionization reactions leading to the detection of analytes. To that end, an ionization chamber based on the photoionization source that reproduces the ionization processes in the ion mobility spectrometer and facilitates efficient transfer of the product ions into a mass spectrometer was developed. Photoionization of pure gasses and gas mixtures containing air, N , CO and N O and the dopant CH Cl is discussed. The main product ions of photoionization are identified and compared with the spectrum of reactant ions formed by radioactive and corona discharge sources on the basis of literature data. The results suggest that photoionization by soft X-radiation in the negative mode is more selective than the other sources. In air, adduct ions of O with H O and CO were exclusively detected. Traces of CO impact the formation of adduct ions of O and Cl (upon addition of dopant) and are capable of suppressing them almost completely at high CO concentrations. Additionally, the ionization products of four alkyl nitrates (ethylene glycol dinitrate, nitroglycerin, erythritol tetranitrate and pentaerythritol tetranitrate) formed by atmospheric pressure chemical ionization induced by X-ray photoionization in different gasses (air, N and N O) and dopants (CH Cl , C H Br and CH I) are investigated. The experimental studies are complemented by density functional theory calculations of the most important adduct ions of the alkyl nitrates (M) used for their spectrometric identification. In addition to the adduct ions [M + NO ] and [M + Cl] , adduct ions such as [M + N O ] , [M + Br] and [M + I] were detected, and their gas-phase structures and energetics are investigated by density functional theory calculations. Copyright © 2016 John Wiley & Sons, Ltd.

show abstract

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

Cited by 45 publications

References 39 publications

Detection of explosives using a hollow cathode discharge ion source

Detection of explosives using a hollow cathode discharge ion source

Atmospheric pressure chemical ionization of explosives using alternating current corona discharge ion source

Atmospheric pressure chemical ionization of explosives induced by soft X-radiation in ion mobility spectrometry: mass spectrometric investigation of the ionization reactions of drift gasses, dopants and alkyl nitrates

Contact Info

Product

Resources

About