Applications of switching reagent ions in proton transfer reaction mass spectrometric instruments for the improved selectivity of explosive compounds

Sulzer, Philipp; Agarwal, Bishu; Jürschik, Simone; Lanza, Matteo; Jordan, Alfons; Hartungen, Eugen; Hanel, G.; Märk, Lukas; Märk, T.D.; González-Méndez, Ramón; Watts, Peter; Mayhew, Chris A.

doi:10.1016/j.ijms.2013.05.004

Cited by 25 publications

(33 citation statements)

References 15 publications

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“…When, instead of water vapour, charcoal filtered air is used as the source gas, NO + is produced in high concentrations. The switching from water to air chemistry takes place within seconds . These reagent ions are guided into the reaction drift tube by an applied voltage gradient.…”

Section: Methodsmentioning

confidence: 99%

“…The switching from water to air chemistry takes place within seconds. [20] These reagent ions are guided into the reaction drift tube by an applied voltage gradient. Within the drift tube, through which an electric field is applied, only those chemical species which have a proton affinity (PA) greater than that of water (PA(H 2 O) = 691 kJ mol À1 / 7.2 eV) [10] will undergo proton transfer reaction with H 3 O + .…”

Section: Methodsmentioning

confidence: 99%

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Selective reagent ionisation‐time of flight‐mass spectrometry: a rapid technology for the novel analysis of blends of new psychoactive substances

et al. 2015

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In this study we demonstrate the potential of selective reagent ionisation-time of flight-mass spectrometry for the rapid and selective identification of a popular new psychoactive substance blend called 'synthacaine', a mixture that is supposed to imitate the sensory and intoxicating effects of cocaine. Reactions with H3O(+) result in protonated parent molecules which can be tentatively assigned to benzocaine and methiopropamine. However, by comparing the product ion branching ratios obtained at two reduced electric field values (90 and 170 Td) for two reagent ions (H3O(+) and NO(+)) to those of the pure chemicals, we show that identification is possible with a much higher level of confidence then when relying solely on the m/z of protonated parent molecules. A rapid and highly selective analytical identification of the constituents of a recreational drug is particularly crucial to medical personnel for the prompt medical treatment of overdoses, toxic effects or allergic reactions.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Selective reagent ionisation‐time of flight‐mass spectrometry: a rapid technology for the novel analysis of blends of new psychoactive substances

et al. 2015

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“…In addition to H 3 O + , NO + and O 2 + have also been available in PTR‐MS instruments for a decade . However, the additional energy in the drift tube of the PTR‐MS technique means that the three‐body association reaction of NO + is not observed . This eliminates a very useful, selective reaction mechanism for many carbonyls from PTR‐MS.…”

Section: Selected Ion Flow Tube Mass Spectrometry (Sift‐ms)mentioning

confidence: 99%

“…Finally, since reagent ion switching in SIFT‐MS occurs in less than 100 ms, multiple reagent ions can be utilized to monitor dynamic processes in the same analysis, enabling use of the most sensitive and selective product ion(s) for each compound. This contrasts with switchable reagent ion‐PTR‐MS (SRI‐PTR‐MS), for which reagent ion switching of 5 s to several minutes effectively means that different analyses must be conducted with each reagent ion. The coffee roasting example in Section 3.4.4 illustrates this well.…”

Section: Selected Ion Flow Tube Mass Spectrometry (Sift‐ms)mentioning

confidence: 99%

Comprehensive odorant analysis for on‐line applications using selected ion flow tube mass spectrometry (SIFT‐MS)

Langford¹,

Padayachee²,

McEwan

et al. 2019

Flavour & Fragrance J

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Selected ion flow tube mass spectrometry (SIFT‐MS) is a direct mass spectrometry technique developed for volatile organic compound (VOC) analysis. In this comprehensive review of the SIFT‐MS flavour literature, its flexibility and utility are evident. SIFT‐MS has found wide application in the analysis of formation and release of odorants in fruits, vegetables, nuts, and seeds – including flavour and sensory optimization during cooking. Dairy products and poultry, red meat, and seafood also comprise a significant number of studies across processing, sensory, and shelf‐life studies. Edible oils, initially investigated for flavour and oxidative status, have recently been very successfully classified according to origin using a combined chemometrics and SIFT‐MS approach. Other recent developments – across different food groups – have been growth in applications to packaging (including meats in modified atmosphere packaging), and correlations of SIFT‐MS data with various types of sensory testing. The continuing growth of food odorant publications indicates that the SIFT‐MS technique has a significant role to play in understanding and managing favourable and unfavourable aroma formation in both academia and industry.

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“…There are several analytical techniques that belong to the DI-SCIMS category [38,39], with proton transfer reactionmass spectrometry (PTR-MS) arguably the most widespread. PTR-MS was purposely designed for the monitoring of volatile organic compounds (VOCs) [40], but has developed further to analyse liquid and solid compounds [38], being successfully applied to the detection of explosives and explosive-related compounds in positive-ion mode [41][42][43][44][45][46][47][48][49][50]. Technically speaking, PTR-MS only refers to the use of hydronium as the reagent ion.…”

Section: Introductionmentioning

confidence: 99%

Applications of Direct Injection Soft Chemical Ionisation-Mass Spectrometry for the Detection of Pre-blast Smokeless Powder Organic Additives

González-Méndez

Mayhew

2019

J. Am. Soc. Mass Spectrom.

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Analysis of smokeless powders is of interest from forensics and security perspectives. This article reports the detection of smokeless powder organic additives (in their pre-detonation condition), namely the stabiliser diphenylamine and its derivatives 2-nitrodiphenylamine and 4nitrodiphenylamine, and the additives (used both as stabilisers and plasticisers) methyl centralite and ethyl centralite, by means of swab sampling followed by thermal desorption and direct injection soft chemical ionisation-mass spectrometry. Investigations on the product ions resulting from the reactions of the reagent ions H 3 O + and O 2 + with additives as a function of reduced electric field are reported. The method was comprehensively evaluated in terms of linearity, sensitivity and precision. For H 3 O + , the limits of detection (LoD) are in the range of 41-88 pg of additive, for which the accuracy varied between 1.5 and 3.2%, precision varied between 3.7 and 7.3% and linearity showed R 2 ≥ 0.9991. For O 2 + , LoD are in the range of 72 to 1.4 ng, with an accuracy of between 2.8 and 4.9% and a precision between 4.5 and 8.6% and R 2 ≥ 0.9914. The validated methodology was applied to the analysis of commercial pre-blast gun powders from different manufacturers.Research Highlights • Use of direct injection soft chemical ionisation-mass spectrometry for smokeless powder organic additive analysis

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Applications of switching reagent ions in proton transfer reaction mass spectrometric instruments for the improved selectivity of explosive compounds

Cited by 25 publications

References 15 publications

Selective reagent ionisation‐time of flight‐mass spectrometry: a rapid technology for the novel analysis of blends of new psychoactive substances

Selective reagent ionisation‐time of flight‐mass spectrometry: a rapid technology for the novel analysis of blends of new psychoactive substances

Comprehensive odorant analysis for on‐line applications using selected ion flow tube mass spectrometry (SIFT‐MS)

Applications of Direct Injection Soft Chemical Ionisation-Mass Spectrometry for the Detection of Pre-blast Smokeless Powder Organic Additives

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