Determination of the Ionization Potentials of Security-Relevant Substances with Single Photon Ionization Mass Spectrometry Using Synchrotron Radiation

Schramm, Elisabeth; Mühlberger, F; Mitschke, Stefan; Reichardt, G.; Schulte-Ladbeck, Rasmus; Pütz, Michael; Zimmermann, Ralf

doi:10.1366/000370208783575483

Cited by 27 publications

(32 citation statements)

References 23 publications

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“…Current studies suggest that SPI-MS also has potential for sensitive and selective detection of explosives, chemical warfare agents, and illegal drugs (20, 34). SPI-MS has the advantages of higher sensitivity than FTIR spectroscopy (Table 1) and, if applied in an ion trap mass spectrometer, a lower false-positive rate than ion mobility spectrometry.…”

Section: Real-world Applicationsmentioning

confidence: 99%

Light and Molecular Ions: The Emergence of Vacuum UV Single-Photon Ionization in MS

Hanley¹,

2009

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Thanks to recent technological advances and singlephoton ionization's (SPI's) ability to detect all organics,Because the human eye does not detect IR radiation, we cannot see a warm object in the dark without an IR camera or other "transformation method". MS has the same problem: it cannot directly detect the objects of intereststhe analyte moleculessbut only their ionized counterparts. Therefore, the transformation methods that ionize the analyte molecules are of particular importance to MS. The invention of new ionization methods such as MALDI or ESI for MS detection of biomolecules has had an enormous influence on the development of MS and its applications in analytical chemistry.However, many ionization methods result in the formation not only of intact molecular ions but also of ion fragments. This is particularly true for electron impact (EI) ionization, the classical ionization method for smaller molecules ranging in mass up to ∼500 Da. EI uses electrons of 70-eV kinetic energy, near where maximal ionization efficiency occurs, 1 which makes it a "hard" ionization technique because the analytes are heavily fragmented upon ionization. The molecular peak is often barely visible in the mass spectra of labile compounds, although the fragment patterns do supply information about the presence of distinct functional groups in the investigated molecules. Furthermore, the fragment patterns of unknown substances can be used for a statistically based identification by comparison with EI-MS library data. The benefits of the latter feature made MS with EI the routine spectrometric detection method for GC. However, the frequent absence of information on the molecular weight of labile compounds is a severe disadvantage of EI, hampering the identification of unknowns. Furthermore, for complex mixtures of organic compounds, EI-MS requires a preseparation method such as GC; otherwise, the overlapping complex fragment patterns cannot be deconvoluted into mass spectra of individual compounds.These shortcomings of EI have led to a continuing demand for robust fragmentation-free or "soft" ionization methods for MS. Several soft ionization techniques have been developed, including methods based on chemical ionization (CI), field ionization (FI), and photoionization (PI). More recently, MALDI and ESI emerged and became the dominant soft ionization methods for polar

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Section: Real-world Applicationsmentioning

confidence: 99%

Light and Molecular Ions: The Emergence of Vacuum UV Single-Photon Ionization in MS

Hanley¹,

2009

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“…VUV single-photon ionization (SPI) is especially useful for fragment-free ionization of organic compounds. Tunable synchrotron VUV SPI time-offlight mass spectrometer (TOF-MS) has been used for analysis of organic samples in the gas phase [5][6][7]. VUV SPI mass spectrometry [8 -10] with tunable lamps or lasers enables distinction of components of complex mixtures, including isomers [11].…”

mentioning

confidence: 99%

Electrospray/VUV single-photon ionization mass spectrometry for the analysis of organic compounds

Yang

Zhang

Pan

et al. 2009

J. Am. Soc. Mass Spectrom.

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For the comprehensive analysis of organic compounds, especially thermal labile and nonpolar compounds, an electrospray/vacuum ultraviolet (VUV) single-photon ionization (ES-SPI) method was developed. The fine droplets of the sample solution from the electrospray process were directed through a quartz capillary and two skimmers to form a molecular beam into a high vacuum ionization chamber. The neutral sample molecules were softly ionized with tunable VUV light and analyzed with a reflection time-of-flight mass spectrometer (RTOF-MS). The ionization energy (IE) and appearance onsets of fragments were obtained based on the photoionization efficiency (PIE) spectrum. The isomers can also be distinguished. With this new method, clean (fragment-free) mass spectra of nonpolar compounds, such as benzene, cyclohexane, and some thermal labile solid compounds (triphenylamine, thioacetamide, and urea) have been obtained without any tedious pretreatment. The components of complex mixtures (gasoline and kerosene) can be identified. Furthermore, quantitative analysis of the components can be obtained based on photoionization cross section data. This method may be used for quantitative analysis of small biomolecules and natural products. (J Am Soc Mass Spectrom 2009, 20, 430 -434)

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“…This means that SPI is capable of ionizing explosives and only a minor amount of additional energy is transferred to the explosive resulting in little fragmentation. Thus SPI can be called a ''soft ionization'' method in case of explosives (Schramm et al, 2008). It was shown earlier that using this ionization method the nitro-containing explosives yielded mass spectrum dominated by molecular ion and minor amount of dissociation products; whereas, with TATP fragmentation occurs readily (Mullen et al, 2006b).…”

Section: Spectrometry For Explosivesmentioning

confidence: 99%

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

Mäkinen

Nousiainen

Sillanpää

2011

Mass Spectrometry Reviews

142

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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Determination of the Ionization Potentials of Security-Relevant Substances with Single Photon Ionization Mass Spectrometry Using Synchrotron Radiation

Cited by 27 publications

References 23 publications

Light and Molecular Ions: The Emergence of Vacuum UV Single-Photon Ionization in MS

Light and Molecular Ions: The Emergence of Vacuum UV Single-Photon Ionization in MS

Electrospray/VUV single-photon ionization mass spectrometry for the analysis of organic compounds

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

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