Identification of nitrate ester explosives by liquid chromatography–electrospray ionization and atmospheric pressure chemical ionization mass spectrometry

Zhao, Xiaoming; Yinon, Jehuda

doi:10.1016/s0021-9673(02)01349-3

Cited by 91 publications

(84 citation statements)

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“…A number of adducts and alternative molecular species were also observed including the formate adducts for the nitramines HMX, RDX, and R-salt as reported elsewhere (24,25), a [M-CH 3 ] À molecular species for 2,4-dinitroanisole and the [M-O] À species for both hydroxyl amino dinitrotoluenes.…”

Section: Precursor Ion Identificationsupporting

confidence: 64%

“…Current LC/MS methods have been based on the use of Electrospray (ESI) and Atmospheric Pressure Chemical Ionisation (APCI) with detection in both positive and negative modes. Negative ionisation being applicable to the analysis of nitro-containing explosives [19][20][21][22][23][24][25][26][27][28] and HME such as urea nitrate and ETN [16,29,30], with positive ionisation used for the detection of peroxide based explosives [18,[31][32][33][34], diamino nitrotoluenes [19,20] and stabilisers added to propellant formulations [22,[35][36][37].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

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

DeTata¹,

Collins²,

McKinley³

2013

Forensic Science International

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Section: Precursor Ion Identificationsupporting

confidence: 64%

Section: Introductionmentioning

confidence: 99%

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

DeTata¹,

Collins²,

McKinley³

2013

Forensic Science International

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“…Sulfonamides, such as the dansylamide derivative of tris(2-aminoethyl)amine (tren) 1 and the chiral derivatives 2 and 3 have been known to bind anions via hydrogen bonding°forming°1:1°anion/receptor°complexes° [38,°42, 43].°Association°constants°from°1H-NMR°titrations°indi- [34,°44].°The°[1 ϩ°Cl] Ϫ°s ignal°at°m/z ϭ 880 was always prominent even when (nϪBu) 4 NCl had not been added to the solution; formation of [MϩCl] Ϫ anionic adducts in chlorinated solvents has been extensively°discussed°for°ESI-MS°by°Cole°and°Zhu° [34]°and for°APCI-MS°by°Zhao°and°Yinon° [45].°Since°the°[M°ϩ Cl] Ϫ adduct signal in nonchloride-containing samples is attributed to the solvent and shows consistent intensity for samples of similar composition, it is used in the following discussions for comparing the signal intensities of the various formed anionic adducts. Complexes of 1 with Br Ϫ and I Ϫ were also detected after addition of the corresponding tetrabutylammonium salts, but with significantly reduced intensities compared with […”

Section: Resultsmentioning

confidence: 99%

Identification of Anionic Supramolecular Complexes of Sulfonamide Receptors with Cl⁻, NO₃⁻, Br⁻, and I⁻ by APCI-MS

Kavallieratos

Sabucedo

Pau

et al. 2005

J. Am. Soc. Mass Spectrom.

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As part of a mass spectrometric investigation of the binding properties of sulfonamide anion receptors, an atmospheric pressure chemical ionization mass spectrometric (APCI-MS) method involving direct infusion followed by thermal desorption was employed for identification of anionic supramolecular complexes in dichloromethane (CH 2 Cl 2 ). Specifically, the dansylamide derivative of tris(2-aminoethyl)amine (tren) (1), the chiral 1,3-benzenesulfonamide derivatives of (1R,2S)-(ϩ)-cis-1-amino-2-indanol (2), and (R)-(ϩ)-bornylamine, (3), were shown to bind halide and nitrate ions in the presence of (nϪBu) Solutions of receptors and anions in CH 2 Cl 2 were combined to form the anionic supramolecular complexes, which were subsequently introduced into the mass spectrometer via direct infusion followed by thermal desorption. The anionic supramolecular complexes Inorganic ions with small mass-to-charge ratios are typically analyzed by other techniques, such as ion chromatography and capillary electrophoresis, because under normal MS ionization conditions many compounds can produce small ions that can interfere with their detection. There are, however, some notable examples [7,8] that demonstrate the potential of soft ionization methods [9], such as atmospheric pressure chemical ionization mass spectrometry (APCI-MS) and electrospray ionization mass spectrometry (ESI-MS)[10] for analysis of inorganic ions, and ion pairs, such as ammonium nitrate [11].Increased sensitivity for MS analysis of inorganic ions has been achieved by a relatively new and promising strategy, which bridges the fields of mass spectrometry and supramolecular chemistry [12][13][14]. This approach is based on selective host molecules for specific cationic or anionic guests, which can form ionic adducts with higher molecular mass. Most of the supramolecular complexes investigated by MS involve macrocycles, such as crown ethers and cryptands, which form cationic metal-receptor complexes detectable in positive ion mode [15][16][17][18][19]. Anion supramolecular chemistry [20] is relatively less well developed and oftentimes anion receptors are not as strong as cation receptors in terms of thermodynamic binding constants. Moreover, negative ionization is more susceptible to corona discharge [21,22]. Therefore, negative-ion mode MS detection of noncovalent anion-receptor complexes is less common than positive-ion mode, with the examples reported [23][24][25][26][27][28] for the detection of organic explosives. APCI presents some advantages compared with ESI in quantitative analysis such as higher dynamic range, and is considered rugged, easy to operate, and more tolerant of higher buffer concentrations (fewer matrix effects) [31]. Multiply charged species are typically not observed in APCI-MS spectra [1]. Even though APCI is considered a soft ionization method, it has not found the same application in anion supramolecular chemistry as ESI because the larger supramolecular ions are generally not observed. Therefore, successful identification of noncova...

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“…They have also identified nitrate ester explosives (PETN, NG, EGDN) through adduct ion formation (Zhao & Yinon, 2002a) and defined the origin of explosive through its byproduct isomers and impurities (Zhao & Yinon, 2002b). In addition, the competitive formation of various anion adducts in explosive mixtures, as well as the separation of these species with negative mode HPLC-ESI-MS have been studied.…”

Section: E High Performance Liquid Chromatography (Hplc)mentioning

confidence: 99%

Ion spectrometric detection technologies for ultra‐traces of explosives: A review

Mäkinen

Nousiainen

Sillanpää

2011

Mass Spectrometry Reviews

147

102

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In recent years, explosive materials have been widely employed for various military applications and civilian conflicts; their use for hostile purposes has increased considerably. The detection of different kind of explosive agents has become crucially important for protection of human lives, infrastructures, and properties. Moreover, both the environmental aspects such as the risk of soil and water contamination and health risks related to the release of explosive particles need to be taken into account. For these reasons, there is a growing need to develop analyzing methods which are faster and more sensitive for detecting explosives. The detection techniques of the explosive materials should ideally serve fast real-time analysis in high accuracy and resolution from a minimal quantity of explosive without involving complicated sample preparation. The performance of the in-field analysis of extremely hazardous material has to be user-friendly and safe for operators. The two closely related ion spectrometric methods used in explosive analyses include mass spectrometry (MS) and ion mobility spectrometry (IMS). The four requirements-speed, selectivity, sensitivity, and sampling-are fulfilled with both of these methods.

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Identification of nitrate ester explosives by liquid chromatography–electrospray ionization and atmospheric pressure chemical ionization mass spectrometry

Cited by 91 publications

References 5 publications

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

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

Identification of Anionic Supramolecular Complexes of Sulfonamide Receptors with Cl⁻, NO₃⁻, Br⁻, and I⁻ by APCI-MS

Ion spectrometric detection technologies for ultra‐traces of explosives: A review

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Identification of nitrate ester explosives by liquid chromatography–electrospray ionization and atmospheric pressure chemical ionization mass spectrometry

Cited by 91 publications

References 5 publications

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

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

Identification of Anionic Supramolecular Complexes of Sulfonamide Receptors with Cl−, NO3−, Br−, and I− by APCI-MS

Ion spectrometric detection technologies for ultra‐traces of explosives: A review

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Identification of Anionic Supramolecular Complexes of Sulfonamide Receptors with Cl⁻, NO₃⁻, Br⁻, and I⁻ by APCI-MS