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Ion mobility spectroscopy is a technique to characterize compounds based on the differences in the migration of sample ions under the combined action of electric field and air flow. Ions can be separated according to their quantity of electric charge, mass, size and shape. Meanwhile, the collision cross section of the ions can also be calculated to obtain chemical compound structural information, which has shown excellent performance in separating isomers of substances. In recent years, a variety of ion mobility technologies combined with mass spectrometry technology have emerged, and been widely used in food, biology, medicine, environment and other fields. In this paper, the types and working principles of ion mobility spectroscopy are introduced, the advantages and disadvantages of various types of instruments are analyzed, and the application of ion mobility spectrometry, liquid chromatography and mass spectrometry multidimensional combination in analyzing and identifying nutritive and active ingredients and chemical hazards in food is reviewed. The application prospect and development trend of this technology are also prospected. [ABSTRACT FROM AUTHOR]

Ion mobility spectroscopy is a technique to characterize compounds based on the differences in the migration of sample ions under the combined action of electric field and air flow. Ions can be separated according to their quantity of electric charge, mass, size and shape. Meanwhile, the collision cross section of the ions can also be calculated to obtain chemical compound structural information, which has shown excellent performance in separating isomers of substances. In recent years, a variety of ion mobility technologies combined with mass spectrometry technology have emerged, and been widely used in food, biology, medicine, environment and other fields. In this paper, the types and working principles of ion mobility spectroscopy are introduced, the advantages and disadvantages of various types of instruments are analyzed, and the application of ion mobility spectrometry, liquid chromatography and mass spectrometry multidimensional combination in analyzing and identifying nutritive and active ingredients and chemical hazards in food is reviewed. The application prospect and development trend of this technology are also prospected.

Ion mobility spectrometry (IMS) is a trace detection technique operating at atmospheric pressure. It is widely utilized in various fields, such as explosives and drug detection, chemical warfare agent detection, and biomedical applications, due to its fast response time and high sensitivity. The various of substances can be identified through analyzing the discrepancies in the drift time of charged particles in an electric field. Depending on the polarity of the charged particles, it can operate under either positive or negative ion mode. Currently, the majority of IMS operate in only one detection mode. For example, explosives detection operates under negative ion mode, while drug detection operates under positive ion mode. However, single detection mode system is prone to miss detections because some substances may differentially respond to positive and negative detection modes. Simultaneous detection under both positive and negative ion modes can further enhance detection accuracy. In this study, a dual-drift tube ion mobility spectrometry capable of simultaneously detecting positive and negative ions was constructed using corona discharge ionization source technology and a compact dual ion-gated pulse control circuit. The instrument parameters of IMS were optimized, while simultaneously determined hexogen, methamphetamine and the metabolite of trinitrotoluene (TNT)，2,4-diamino-6-nitrotoluene (2,4-DANT). The optimal experimental conditions were selected as follows: a drift gas flow rate of 600 mL/min, a carrier gas flow rate of 500 mL/min, a drift tube temperature of 100 ℃, and a thermal desorption temperature of 200 ℃. The reduced mobility values of 1.72 cm2/V·s and 1.44 cm2/V·s are obtained through the detection of explosive hexogen (RDX) and drug methamphetamine (MA), respectively. These values agree well with the reported values, thereby proving the reliability of the instrument’s detection. Finally, the performance of the developed instrument was evaluated using 2,4-DANT, this substance that can be detected under both positive and negative ion modes. Production peaks are observed in both modes, and the normalized mobility values for 2,4-DANT are reported as approximately 1.67 cm2/V·s and 1.33 cm2/V·s under positive and negative ion modes, respectively. Through exploring the detection limits for both positive and negative ions, it was revealed that the homemade dual ion mobility spectrometer is capable of simultaneous detection of both positive and negative ions, achieves the lowest detection limits of 200 pg and 260 pg for 2,4-DANT, respectively. Importantly, these detection limits are not significantly compromised by sample division, which underscores the broad applicability and value of the instrument, highlighting its potential in various fields.

Ion mobility spectrometry (IMS) is a trace detection technique operating at atmospheric pressure. It is widely utilized in various fields, such as explosives and drug detection, chemical warfare agent detection, and biomedical applications, due to its fast response time and high sensitivity. The various of substances can be identified through analyzing the discrepancies in the drift time of charged particles in an electric field. Depending on the polarity of the charged particles, it can operate under either positive or negative ion mode. Currently, the majority of IMS operate in only one detection mode. For example, explosives detection operates under negative ion mode, while drug detection operates under positive ion mode. However, single detection mode system is prone to miss detections because some substances may differentially respond to positive and negative detection modes. Simultaneous detection under both positive and negative ion modes can further enhance detection accuracy. In this study, a dual-drift tube ion mobility spectrometry capable of simultaneously detecting positive and negative ions was constructed using corona discharge ionization source technology and a compact dual ion-gated pulse control circuit. The instrument parameters of IMS were optimized, while simultaneously determined hexogen, methamphetamine and the metabolite of trinitrotoluene (TNT), 2,4-diamino-6-nitrotoluene (2,4-DANT). The optimal experimental conditions were selected as follows: a drift gas flow rate of 600 mL/min, a carrier gas flow rate of 500 mL/min, a drift tube temperature of 100 ℃, and a thermal desorption temperature of 200 ℃. The reduced mobility values of 1.72 cm²/V·s and 1.44 cm²/V·s are obtained through the detection of explosive hexogen (RDX) and drug methamphetamine (MA), respectively. These values agree well with the reported values, thereby proving the reliability of the instrument’s detection. Finally, the performance of the developed instrument was evaluated using 2,4-DANT, this substance that can be detected under both positive and negative ion modes. Production peaks are observed in both modes, and the normalized mobility values for 2,4-DANT are reported as approximately 1.67 cm²/V·s and 1.33 cm²/V·s under positive and negative ion modes, respectively. Through exploring the detection limits for both positive and negative ions, it was revealed that the homemade dual ion mobility spectrometer is capable of simultaneous detection of both positive and negative ions, achieves the lowest detection limits of 200 pg and 260 pg for 2,4-DANT, respectively. Importantly, these detection limits are not significantly compromised by sample division, which underscores the broad applicability and value of the instrument, highlighting its potential in various fields. [ABSTRACT FROM AUTHOR]

Ion mobility spectrometry (IMS) has been widely studied and applied as an effective analytical technology for the on-site detection of volatile organic compounds (VOCs). Despite its superior selectivity compared with most gas sensors, its limited dynamic range is regarded as a major drawback, limiting its further application in quantitative measurements. In this work, we proposed a novel sample introduction method based on pulsed membrane adsorption, which effectively enhanced IMS's ability to measure analytes at higher concentrations. Taking N-methyl-2-pyrrolidone (NMP) as an example, this new sampling method expanded the dynamic range from 1 ppm to 200 ppm. The working principle and measurement strategy of this sampling method were also discussed, providing new insights for the design and application of IMS-based instruments. [ABSTRACT FROM AUTHOR]

Ion mobility spectrometry (IMS) has been widely studied and applied as an effective analytical technology for the on-site detection of volatile organic compounds (VOCs). Despite its superior selectivity compared with most gas sensors, its limited dynamic range is regarded as a major drawback, limiting its further application in quantitative measurements. In this work, we proposed a novel sample introduction method based on pulsed membrane adsorption, which effectively enhanced IMS’s ability to measure analytes at higher concentrations. Taking N-methyl-2-pyrrolidone (NMP) as an example, this new sampling method expanded the dynamic range from 1 ppm to 200 ppm. The working principle and measurement strategy of this sampling method were also discussed, providing new insights for the design and application of IMS-based instruments.

In recent years, with the increasing demand for molecular structure analysis, the development of method for measuring ion collision cross sections (CCS) in a single ion trap mass analyzer has become a research hot topic. Measuring ion CCS in ion trap mass spectrometry does not require additional instrument modifications and experimental conditions, it is possible to measure ion CCS while obtaining a high-resolution mass spectrum. Reducing instrument complexity and obtaining molecular structure information when measuring high-resolution mass, the method has gradually become an effective mean of measuring CCS. So far, Measuring ion CCS has been succeed in Fourier transform ion cyclotron resonance (FT-ICR) trap, Orbitrap, quadrupole ion trap (QIT), electrostatic linear ion trap (ELIT). Accurate measurement of ion motion decay in ion traps is the primary prerequisite for measuring ion CCS with ion trap mass spectrometers. The collision between ions and buffer gas is the main reason for ion motion decay. In particular, on the basis of the original ion collision models including the Langevin collision model, the hard-sphere collision model, the mixed collision model, the energetic hard-sphere collision model was developed. Ion motion under different experimental conditions is suitable for different collision models. Based on this, a lot of methods were developed to calculate ion motion decay curves including frequency domain, time domain and time-frequency analysis methods, thus enhancing accuracy and resolution of ion CCS measurement. However, there are still many challenges. Ion CCS measurement in ion trap mass spectrometry depends on true pressure in ion trap, however true pressure in ion trap can′t be measured precisely. Also, the ion CCS of the isomers can′t be measured separately in ion trap mass spectrometry yet. Therefore, the useful method to realize the CCS measurement of isomers urgently needs to be developed, and improving the resolution of CCS measurement in ion trap mass spectrometry will also be an important thing. Specially, the lower the pressure, the greater the ion kinetic energy, then the resolution of ion CCS measurement is better. The methods to get higher sensitivity detection electronics and lower pressure remain to be developed. Here, the theory of collision between ions and buffer gas molecules was expounded, then different methods for measuring ion CCS in ion trap mass spectrometry, and the advantages and disadvantages of the measurement methods were reviewed, the future research direction was prospected at last.

Combined with mass spectrometry, ion spectroscopy can obtain a spectrum of the target ion by measuring its intensity change, which is induced by laser strength and wavelength. It integrates the high sensitivity of mass spectrometry and the structural specificity of spectroscopy, and thus proves to be very useful in structure characterization of complex biomolecules, such as proteins, peptides, glycans, oligonucleotides, etc. However, the electronic or vibrational spectra becomes too complex to be resolved when analyzing isomeric ions. Ion mobility spectrometry (IMS) allows ionized molecules to be separated on the basis of mobilities in the gas phase, and its coupling with electrospray and MALDI ion sources opens up possibilities for structural studies of a wide range of biomolecules in gas-phase. Ion mobility spectrometry coupled with mass spectrometry has seen spectacular growth for the last two decades. The introduction of ion mobility to ion spectroscopy has been of growing attention in recent years. While IMS can be used as an isomer filter to reduce spectral congestion of ions, highly resolved ion spectra facilitates the identification of the isomer peaks separated by IMS. Taken together, spectra and collision cross section (CCS) measurements on the same system prove to be rather useful for structural analysis and provide clearer spectroscopic fingerprint to isomers. Therefore, this paper briefly summarized advances in ion spectroscopy research based on ion mobility-mass spectrometry technology, introduced representative researches, and prospected possible development in multi-dimensional structural mass spectrometry.

It has become increasingly important to monitor environment contamination by such chemicals as chemical warfare agents (CWAs) and industrial toxic chemicals (TICs), as well as radiation hazards around and inside collective protection facilities. This is especially important given the increased risk of terrorist or military attacks. The Military Institute of Chemistry and Radiometry (MICR) has constructed and developed the ALERT device for the effective monitoring of these threats. This device uses sensors that detect chemical and radiological contaminations in the air. The CWA detector is an ion mobility spectrometer, TICs are detected by electrochemical sensors, and radiation hazards are detected via Geiger–Muller tubes. The system was designed to protect the crew from contamination. When chemical or radioactive contamination is detected at the air inlet for the shelter, air filtration through a carbon filter is activated. At this time, the air test procedure at the filter outlet is started to test the condition of the filter on an ongoing basis. After detecting contamination at the filter outlet, the system turns off the air pumping and the service can start the procedure of replacing the damaged carbon filter. This paper presents the results of laboratory testing of the ALERT gas alarm detector, which showed high measurements for important parameters, including sensitivity, repeatability, accuracy, and speed. [ABSTRACT FROM AUTHOR]

Objectives. To determine the ion mobility of N-methylimidazole, establish the structure of ions corresponding to characteristic signals, and determine the detection limit of N-methylimidazole on the ion-drift detector Kerber.Methods. Ion mobility spectrometry was used to study the ionization processes. The enthalpies of the reactions of monomer and dimer ions were calculated in the ORCA 4.1.1 software by the B3LYP density functional method with a set of basic functions 6-31G (d, p).Results. The drift time and ion mobility values of N-methylimidazole were determined. A method for mathematical processing of spectra and a program for its implementation was developed. The changing peculiarities of the ion mobility spectrum during measurement at a given time were studied. According to the interpretation of the spectrum signals, the structure of the generated ions was proposed, and the enthalpies of ion formation were determined.Conclusions. The characteristic signal of the N-methylimidazole ion protonated at the nitrogen atom of the pyridine type was revealed. It was found that two signals in the ion mobility spectra of N-methylimidazole correspond to the presence of the monomer and dimer ions. The detection limit of N-methylimidazole on the ion-drift detector Kerber was determined, amounting to 3 pg.

It is increasingly evident that a more detailed molecular structure analysis of isomeric lipids is critical to better understand their roles in biological processes. The occurrence of isomeric interference complicates conventional tandem mass spectrometry (MS/MS)-based determination, necessitating the development of more specialised methodologies to separate lipid isomers. The present review examines and discusses recent lipidomic studies based on ion mobility spectrometry combined with mass spectrometry (IMS-MS). Selected examples of the separation and elucidation of structural and stereoisomers of lipids are described based on their ion mobility behaviour. These include fatty acyls, glycerolipids, glycerophospholipids, sphingolipids, and sterol lipids. Recent approaches for specific applications to improve isomeric lipid structural information using direct infusion, coupling imaging, or liquid chromatographic separation workflows prior to IMS-MS are also discussed, including: 1) strategies to improve ion mobility shifts; 2) advanced tandem MS methods based on activation of lipid ions with electrons or photons, or gas-phase ion-molecule reactions; and 3) the use of chemical derivatisation techniques for lipid characterisation.

Combined with mass spectrometry, ion spectroscopy can obtain a spectrum of the target ion by measuring its intensity change, which is induced by laser strength and wavelength. It integrates the high sensitivity of mass spectrometry and the structural specificity of spectroscopy, and thus proves to be very useful in structure characterization of complex biomolecules, such as proteins, peptides, glycans, oligonucleotides, etc. However, the electronic or vibrational spectra becomes too complex to be resolved when analyzing isomeric ions. Ion mobility spectrometry (IMS) allows ionized molecules to be separated on the basis of mobilities in the gas phase, and its coupling with electrospray and MALDI ion sources opens up possibilities for structural studies of a wide range of biomolecules in gas-phase. Ion mobility spectrometry coupled with mass spectrometry has seen spectacular growth for the last two decades. The introduction of ion mobility to ion spectroscopy has been of growing attention in recent years. While IMS can be used as an isomer filter to reduce spectral congestion of ions, highly resolved ion spectra facilitates the identification of the isomer peaks separated by IMS. Taken together, spectra and collision cross section (CCS) measurements on the same system prove to be rather useful for structural analysis and provide clearer spectroscopic fingerprint to isomers. Therefore, this paper briefly summarized advances in ion spectroscopy research based on ion mobility-mass spectrometry technology, introduced representative researches, and prospected possible development in multi-dimensional structural mass spectrometry. [ABSTRACT FROM AUTHOR]

In recent years, with the increasing demand for molecular structure analysis, the development of method for measuring ion collision cross sections (CCS) in a single ion trap mass analyzer has become a research hot topic. Measuring ion CCS in ion trap mass spectrometry does not require additional instrument modifications and experimental conditions, it is possible to measure ion CCS while obtaining a high-resolution mass spectrum. Reducing instrument complexity and obtaining molecular structure information when measuring high-resolution mass, the method has gradually become an effective mean of measuring CCS. So far, Measuring ion CCS has been succeed in Fourier transform ion cyclotron resonance (FT-ICR) trap, Orbitrap, quadrupole ion trap (QIT), electrostatic linear ion trap (ELIT). Accurate measurement of ion motion decay in ion traps is the primary prerequisite for measuring ion CCS with ion trap mass spectrometers. The collision between ions and buffer gas is the main reason for ion motion decay. In particular, on the basis of the original ion collision models including the Langevin collision model, the hard-sphere collision model, the mixed collision model, the energetic hard-sphere collision model was developed. Ion motion under different experimental conditions is suitable for different collision models. Based on this, a lot of methods were developed to calculate ion motion decay curves including frequency domain, time domain and time-frequency analysis methods, thus enhancing accuracy and resolution of ion CCS measurement. However, there are still many challenges. Ion CCS measurement in ion trap mass spectrometry depends on true pressure in ion trap, however true pressure in ion trap can′t be measured precisely. Also, the ion CCS of the isomers can′t be measured separately in ion trap mass spectrometry yet. Therefore, the useful method to realize the CCS measurement of isomers urgently needs to be developed, and improving the resolution of CCS measurement in ion trap mass spectrometry will also be an important thing. Specially, the lower the pressure, the greater the ion kinetic energy, then the resolution of ion CCS measurement is better. The methods to get higher sensitivity detection electronics and lower pressure remain to be developed. Here, the theory of collision between ions and buffer gas molecules was expounded, then different methods for measuring ion CCS in ion trap mass spectrometry, and the advantages and disadvantages of the measurement methods were reviewed, the future research direction was prospected at last. [ABSTRACT FROM AUTHOR]

It has become increasingly important to monitor environment contamination by such chemicals as chemical warfare agents (CWAs) and industrial toxic chemicals (TICs), as well as radiation hazards around and inside collective protection facilities. This is especially important given the increased risk of terrorist or military attacks. The Military Institute of Chemistry and Radiometry (MICR) has constructed and developed the ALERT device for the effective monitoring of these threats. This device uses sensors that detect chemical and radiological contaminations in the air. The CWA detector is an ion mobility spectrometer, TICs are detected by electrochemical sensors, and radiation hazards are detected via Geiger–Muller tubes. The system was designed to protect the crew from contamination. When chemical or radioactive contamination is detected at the air inlet for the shelter, air filtration through a carbon filter is activated. At this time, the air test procedure at the filter outlet is started to test the condition of the filter on an ongoing basis. After detecting contamination at the filter outlet, the system turns off the air pumping and the service can start the procedure of replacing the damaged carbon filter. This paper presents the results of laboratory testing of the ALERT gas alarm detector, which showed high measurements for important parameters, including sensitivity, repeatability, accuracy, and speed.

Signal digitization is a commonly overlooked part of ion mobility-mass spectrometry (IMS-MS) workflows, yet it greatly affects signal-to-noise ratio and MS resolution measurements. Here, we report on the integration of a 2 GS/s, 14-bit ADC with structures for lossless ion manipulations (SLIM-IMS-MS) and compare the performance to a commonly used 8-bit ADC. The 14-bit ADC provided a reduction in the digitized noise by a factor of ~6, owing largely to the use of smaller bit sizes. The low baseline allowed threshold voltage levels to be set very close to the MCP baseline voltage, allowing for as much signal to be acquired as possible without overloading or excessive digitization of MCP baseline noise. Analyses of Agilent tuning mixture ions and a mixture of heavy labeled phosphopeptides showed that the 14-bit ADC provided a ~1.5-2× signal-to-noise (S/N) increase for high intensity ions, such as the Agilent tuning mixture ions and the 2+ and 3+ charge states of many phosphopeptide constituents. However, signal enhancements were as much as 10-fold for low intensity ions, and the 14-bit ADC enabled discernible signal intensities otherwise lost using an 8-bit digitizer. Additionally, the 14-bit ADC required ~14-fold fewer mass spectra to be averaged to produce a mass spectrum with a similar S/N as the 8-bit ADC, demonstrating ~10× higher measurement throughput. The high resolution, low baseline, and fast speed of the new 14-bit ADC enables high performance digitization of MS, IMS-MS, and SLIM-IMS-MS spectra and provides a much better picture of analyte profiles in complex mixtures. [ABSTRACT FROM AUTHOR]

The drift time and ion mobility of imidazole are determined and a procedure for the mathematical processing of spectra is developed. The specific features of changes in the ion mobility spectrum during measurements at a particular time are studied. The structures of the generated ions are proposed based on the interpretation of spectral signals, and the enthalpies of formation of the generated ions are estimated. The characteristic signal of the imidazole ion protonated at the nitrogen atom of the pyridine type was revealed. The limit of detection for imidazole in recording with the Kerber detector was found to be 0.3 ng. [ABSTRACT FROM AUTHOR]

Rapid screening of infected people plays a crucial role in interrupting infection chains. However, the current methods for identification of bacteria are very tedious and labor intense. Fast on-site screening for pathogens based on volatile organic compounds (VOCs) by ion mobility spectrometry (IMS) could help to differentiate between healthy and potentially infected subjects. As a first step towards this, the feasibility of differentiating between seven different bacteria including resistant strains was assessed using IMS coupled to multicapillary columns (MCC-IMS). The headspace above bacterial cultures was directly drawn and analyzed by MCC-IMS after 90 min of incubation. A cluster analysis software and statistical methods were applied to select discriminative VOC clusters. As a result, 63 VOC clusters were identified, enabling the differentiation between all investigated bacterial strains using canonical discriminant analysis. These 63 clusters were reduced to 7 discriminative VOC clusters by constructing a hierarchical classification tree. Using this tree, all bacteria including resistant strains could be classified with an AUC of 1.0 by receiver-operating characteristic analysis. In conclusion, MCC-IMS is able to differentiate the tested bacterial species, even the non-resistant and their corresponding resistant strains, based on VOC patterns after 90 min of cultivation. Although this result is very promising, in vivo studies need to be performed to investigate if this technology is able to also classify clinical samples. With a short analysis time of 5 min, MCC-IMS is quite attractive for a rapid screening for possible infections in various locations from hospitals to airports. Key Points • Differentiation of bacteria by MCC-IMS is shown after 90-min cultivation. • Non-resistant and resistant strains can be distinguished. • Classification of bacteria is possible based on metabolic features. [ABSTRACT FROM AUTHOR]

Fusarium oxysporum is a plant pathogenic fungus leading to severe crop losses in agriculture every year. A sustainable way of combating this pathogen is the application of mycoparasites—fungi parasitizing other fungi. The filamentous fungus Trichoderma atroviride is such a mycoparasite that is able to antagonize phytopathogenic fungi. It is therefore frequently applied as a biological pest control agent in agriculture. Given that volatile metabolites play a crucial role in organismic interactions, the major aim of this study was to establish a method for on-line analysis of headspace microbial volatile organic compounds (MVOCs) during cultivation of different fungi. An ion mobility spectrometer with gas chromatographic pre-separation (GC-IMS) enables almost real-time information of volatile emissions with good selectivity. Here we illustrate the successful use of GC-IMS for monitoring the time- and light-dependent release of MVOCs by F. oxysporum and T. atroviride during axenic and co-cultivation. More than 50 spectral peaks were detected, which could be assigned to 14 volatile compounds with the help of parallel gas chromatography-mass spectrometric (GC-MS) measurements. The majority of identified compounds are alcohols, such as ethanol, 1-propanol, 2-methyl propanol, 2-methyl butanol, 3-methyl-1-butanol and 1-octen-3-ol. In addition to four ketones, namely acetone, 2-pentanone, 2-heptanone, 3-octanone, and 2-octanone; two esters, ethyl acetate and 1-butanol-3-methylacetate; and one aldehyde, 3-methyl butanal, showed characteristic profiles during cultivation depending on axenic or co-cultivation, exposure to light, and fungal species. Interestingly, 2-octanone was produced only in co-cultures of F. oxysporum and T. atroviride, but it was not detected in the headspace of their axenic cultures. The concentrations of the measured volatiles were predominantly in the low ppbv range; however, values above 100 ppbv were detected for several alcohols, including ethanol, 2-methylpropanol, 2-methyl butanol, 1- and 3-methyl butanol, and for the ketone 2-heptanone, depending on the cultivation conditions. Our results highlight that GC-IMS analysis can be used as a valuable analytical tool for identifying specific metabolite patterns for chemotaxonomic and metabolomic applications in near-to-real time and hence easily monitor temporal changes in volatile concentrations that take place in minutes. [ABSTRACT FROM AUTHOR]

To understand aroma perception from complex food matrices‚ determination of dynamic aroma release during simulated oral processing is necessary. In this study optimization, validation and application of a novel method coupling headspace-solid phase microextraction (HS-SPME) with gas chromatography-ion mobility spectrometry (GC-IMS) is presented. Thirteen character impact compounds imparting different chemical properties are studied to understand capabilities and limitations of the method. It was shown for the first time that the temperature of the IMS sample inlet can be increased up to 200 °C without instrumental constraints. Linear calibration was possible for eleven of the thirteen compounds with one decade dynamic range. The limit of detection and quantitation were 2.1–63.0 ppb and 7.2–210.1 ppb, respectively. Diacetyl could be detected in negative polarity mode of IMS, however with lower precision compared to the compounds detected in positive mode. Limitations of the method were short HS-SPME extraction time, which in the case of caproic acid was not sufficient for reliable quantification. Additionally, δ-decalactone could not be detected due to maximum GC temperature of 200 °C. Application of the method to determine dynamic aroma release from a dairy matrix was successfully shown for nine compounds. Analysis of complex food matrix was performed with similar precision compared to analysis in aqueous solution, thus proving high robustness of the method towards matrix effects. [ABSTRACT FROM AUTHOR]

One of the significant problems in the modern world is the detection of improvised explosives made of materials synthesized at home. Such compounds include triacetone triperoxide (TATP) and hexamethylene triperoxide diamine (HMTD). An attempt was made to construct an instrument allowing for the simultaneous detection of both compounds despite the large difference of vapor pressure: very high for TATP and very low for HMTD. The developed system uses differential ion mobility spectrometry (DMS) in combination with a specially designed gas sample injection system. The created system of detectors allowed for the detection of a high concentration of TATP and a very low concentration of HMTD. TATP detection was possible despite the presence of impurities—acetone remaining from the technological process and formed as a coproduct of diacetone diperoxide (DADP) synthesis. Ammonia added to the carrier gas improved the possibility of detecting the abovementioned explosives, reducing the intensity of the acetone signal. The obtained results were then compared with the detection capabilities of drift tube ion mobility spectrometer (DT-IMS), which has not made possible such detection as DMS.

Sensitive real-time detection of vapors produced by toxic industrial chemicals (TICs) always represents a stringent priority. Hydrogen cyanide (HCN) is definitely a TIC, being widely used in various industries and as an insecticide; it is a reactive, very flammable, and highly toxic compound that affects the central nervous system, cardiovascular system, eyes, nose, throat, and also has systemic effects. Moreover, HCN is considered a blood chemical warfare agent. This study was focused toward quick detection and quantification of HCN in air using time-of-flight ion mobility spectrometry (ToF IMS). Results obtained clearly indicate that IMS can rapidly detect HCN at sub-ppmv levels in air. Ion mobility spectrometric response was obtained in the negative ion mode and presented one single distinct product ion, at reduced ion mobility K0 of 2.38 cm2 V−1 s−1. Our study demonstrated that by using a miniaturized commercial IMS system with nonradioactive ionization source model LCD-3.2E (Smiths Detection Ltd., London, UK), one can easily measure HCN at concentrations of 0.1 ppmv (0.11 mg m−3) in negative ion mode, which is far below the OSHA PEL-TWA value of 10 ppmv. Measurement range was from 0.1 to 10 ppmv and the estimated limit of detection LoD was ca. 20 ppbv (0.02 mg m−3).

With recent advances in ionization sources and instrumentation, ion mobility spectrometers (IMS) have transformed from a detector for chemical warfare agents and explosives to a widely used tool in analytical and bioanalytical applications. This increasing measurement task complexity requires higher and higher analytical performance and especially ultra-high resolution. In this review, we will discuss the currently used ion mobility spectrometers able to reach such ultra-high resolution, defined here as a resolving power greater than 200. These instruments are drift tube IMS, traveling wave IMS, trapped IMS, and field asymmetric or differential IMS. The basic operating principles and the resulting effects of experimental parameters on resolving power are explained and compared between the different instruments. This allows understanding the current limitations of resolving power and how ion mobility spectrometers may progress in the future. [ABSTRACT FROM AUTHOR]

Today, bottom-up protein identification in MALDI-MS is based on employing singly charged peptide ions, which are predominantly formed in the ionization process. However, peptide mass fingerprinting (PMF) with subsequent tandem MS confirmation using these peptide ions is often hampered due to the lower quality of fragment ion mass spectra caused by the higher collision energy necessary for fragmenting singly protonated peptides. Accordingly, peptide ions of higher charge states would be of high interest for analytical purposes, but they are usually not detected in MALDI-MS experiments as they overlap with singly charged matrix clusters and peptide ions. However, when utilizing ion mobility spectrometry (IMS), doubly charged peptide ions can be actively used by separating them from the singly protonated peptides, visualized, and selectively targeted for tandem MS experiments. The generated peptide fragment ion spectra can be used for a more confident protein identification using PMF with tandem MS confirmation, as most doubly protonated peptide ions yield fragment ion mass spectra of higher quality compared to tandem mass spectra of the corresponding singly protonated precursor ions. Mascot protein scores can be increased by approximately 50% when using tandem mass spectra of doubly charged peptide ions, with ion scores up to six times higher compared with ion scores of tandem mass spectra from singly charged precursors. [ABSTRACT FROM AUTHOR]

Abstract The contamination of water is a high risk to human health, so there is an urgent need to rapidly detect water pollution in the field. Ion mobility spectrometry (IMS) is suitable for on-site analysis with the merit of rapid analysis and compact size. In this study, we developed a new method which coupled fabric phase sorptive extraction (FPSE) with IMS for rapid detection of polycyclic aromatic hydrocarbons (PAHs) in water present in the field. Polydimethylsiloxane (PDMS) was coated on the glass fiber cloth through a sol-gel reaction. After extracting the PAHs in water, the fabric coated PDMS could be directly put into the inlet of IMS instrument for thermal desorption. The PAHs were analyzed by the IMS instrument operated in the positive ion mode with a corona discharge (CD) ionization source. The primary parameters affecting extraction efficiency such as extraction time, extraction temperature, and ionic strength were investigated and optimized by using phenanthrene (Phe), benzo[ a ]anthracene (BaA) and benzo[ a ]pyrene (BaP) as model compounds. Under the optimal conditions, the FPSE-IMS detection limits were 5 ng ml−1,8 ng ml−1 and 10 ng ml−1 respectively. Satisfactory recoveries were obtained in the range from 80.5% to 100.5% by testing the spiked real water samples and validated by the standard method（HJ487-2009）. Based on the results, the method of FPSE-IMS could be feasibly applied for monitoring the water quality on-site and providing early warning in the field. Graphical abstract fx1 Highlights • FPSE suitable for IMS was prepared and applied to enrich PAHs from water. • It is the first reported coupling of FPSE with CD-IMS to detect PAHs. • Based on FPSE-IMS, a method for in field rapid detection of PAHs in water was developed. [ABSTRACT FROM AUTHOR]

Sensitive real-time detection of vapors produced by toxic industrial chemicals (TICs) represents a stringent priority nowadays. Carbon disulfide (CS2) is such a chemical, being widely used in manufacturing synthetic textile fibers and as a solvent. CS2 is simultaneously a very reactive, highly flammable, irritant, corrosive, and highly toxic compound, affecting the central nervous system, cardiovascular system, eyes, kidneys, liver, skin, and reproductive system. This study was directed towards quick detection and quantification of CS2 in air, using time-of-flight ion mobility spectrometry (IMS); photoionization detection (PID) was also used as confirmatory technique. Results obtained indicated that IMS can detect CS2 at trace levels in air. The ion mobility spectrometric response was in the negative ion mode and presented one product ion, at a reduced ion mobility (K0) of 2.25 cm2 V−1 s−1. Our study demonstrated that by using a portable, commercial IMS system (model Mini IMS, I.U.T. GmbH Berlin Germany) one can easily measure CS2 at concentrations of 0.1 ppmv (0.3 mg m−3) in the negative ion mode, which is below the lowest threshold value of 1 ppmv given for industrial hygiene. A limit of detection (LOD) of ca. 30 ppbv (0.1 mg m−3) was also estimated.

Current available methods for the clinical diagnosis of urinary tract infection (UTI) rely on a urine dipstick test or culturing of pathogens. The dipstick test is rapid (available in 1–2 min), but has a low positive predictive value, while culturing is time-consuming and delays diagnosis (24–72 h between sample collection and pathogen identification). Due to this delay, broad-spectrum antibiotics are often prescribed immediately. The over-prescription of antibiotics should be limited, in order to prevent the development of antimicrobial resistance. As a result, there is a growing need for alternative diagnostic tools. This paper reviews applications of chemical-analysis instruments, such as gas chromatography–mass spectrometry (GC-MS), selected ion flow tube mass spectrometry (SIFT-MS), ion mobility spectrometry (IMS), field asymmetric ion mobility spectrometry (FAIMS) and electronic noses (eNoses) used for the diagnosis of UTI. These methods analyse volatile organic compounds (VOCs) that emanate from the headspace of collected urine samples to identify the bacterial pathogen and even determine the causative agent’s resistance to different antibiotics. There is great potential for these technologies to gain wide-spread and routine use in clinical settings, since the analysis can be automated, and test results can be available within minutes after sample collection. This could significantly reduce the necessity to prescribe broad-spectrum antibiotics and allow the faster and more effective use of narrow-spectrum antibiotics.

Abstract A sensitive and fast ultrasound-assisted dispersive liquid-liquid microextraction procedure combined with ion mobility spectrometry has been developed for the simultaneous extraction and determination of bendiocarb and azinphos-ethyl. Experimental parameters affecting the analytical performance of the method were optimized: type and volume of extraction solvent (chloroform, 150 µL), pH (9.0), type and volume of buffer (ammonium buffer pH = 9.0, 4.5 mL) and extraction time (3.0 min). Under optimum conditions, the linearity was found to be in the range of 2–40 and 6–100 ng/mL and the limits of detection (LOD) were 1.04 and 1.31 ng/mL for bendiocarb and azinphos-ethyl, respectively. The method was successfully validated for the analysis of bendiocarb and azinphos-ethyl in different samples such as waters, soil, food and beverage samples. Graphical abstract fx1 Highlights • A sensitive method is proposed for determination of bendiocarb and azinphos-ethyl. • The method is environmentally friendly because of low solvent consumption. • The developed procedure shows high performance in all analytical parameters. • Ion mobility spectrometry is used because of simplicity, rapidity and sensitivity. [ABSTRACT FROM AUTHOR]

Ion mobility spectrometry (IMS) which acts as a rapid analysis technique is widely used in the field detection of illicit drugs and explosives. Due to limited separation abilities of the pint-sized IMS challenges and problems still exist regarding high false positive and false negative responses due to the interference of the matrix. In addition, the gas-phase ion chemistry and special phenomena in the IMS spectra, such one substance showing two peaks, were not identified unambiguously. In order to explain or resolve these questions, in this paper, an ion mobility spectrometry was coupled to a mass spectrometry (IMS-MS). A commercial IMS is embedded in a custom-built ion chamber shell was attached to the mass spectrometer. The faraday plate of IMS was fabricated with a hole for the ions to passing through to the mass spectrometer. The ion transmission efficiency of IMS-MS was optimized by optimizing the various parameters, especially the distance between the faraday plate and the cone of mass spectrum. This design keeps the integrity of the two original instruments and the mass spectrometry still works with multimode ionization source (i.e., IMS-MS, ESI-MS, APCI-MS modes). The illicit drugs and explosive samples were analyzed by the IMS-MS with 63 Ni source. The results showed that the IMS-MS is of high sensitivity. The ionization mechanism of the illicit drug and explosive samples with 63 Ni source were systematically studied. In addition, the interferent which interfered the detection of cocaine was identified as dibutyl phthalate (DBP) by this platform. The reason why the acetone solution of amphetamine showed two peaks was explained. [ABSTRACT FROM AUTHOR]

A need for extensive waste utilization is an adverse effect of developments in the chipboard and wood-based panel production industry. Although the produced waste constitutes a valuable fuel, easily accessible and attractive to individual consumers, domestic furnaces and heat-only boilers do not satisfy thermal waste processing requirements. In particular, utilization of chipboard and wood-based product waste in such installations is not allowed as not compliant with the emission standards. Therefore, an ability to detect emissions from combustion of chipboard and wood-based products in domestic installations, unsuited for that purpose, is vital. The paper presents results of tests carried out with a measuring device that operates based on the differential ion mobility spectrometry method. The device was applied to detect volatile substances emissions originating from chipboard combustion in a furnace not designed for utilization of this type of waste. The results confirmed applicability of the differential ion mobility spectrometry to detection of emissions from the chipboard combustion. A characteristic change in the ion mobility spectrum was observed when the instrument was exposed to the emissions, compared to the reference measurement. The ion mobility spectrum change pattern was constructed to form the basis for the emission detection. The conducted research indicates possibility of effective chipboard combustion emission detection in domestic furnaces with the use of the technique discussed. In addition, it has been determined that although the photoionization technique is widely applied to the measurement of total VOCs in the air, the detector of this kind is not suitable for the measurement task discussed. Further studies have been undertaken to develop a detection method for undesirable emissions based on the relevant device response and not concentration of a marker. [ABSTRACT FROM AUTHOR]

Direct inlet probe (DIP) was used as an introduction and a pre-separation step for atmospheric pressure photoionization time-of-flight ion mobility spectrometry (APPI-TOF-IMS) for the first time. IMS is an analytical technique used to separate and identify ionized molecules in the gas phase and under atmospheric pressure based on their mobility. The utilization of DIP prior to IMS gives the possibility to introduce the analytes into the gas phase and provides an additional separation based on their vapor pressure. The proof-of-principle study was done on example of eight polycyclic aromatic hydrocarbons (PAHs) with the ring number from 2 to 5, namely naphthalene, fluorene, anthracene, phenanthrene, pyrene, fluoranthene, benzo[ a ]pyrene, and benzo[ k ]fluoranthene. All these compounds are included in EPA priority pollutant list. Moreover, benzo[ a ]pyrene and benzo[ k ]fluoranthene are marked by EPA as probably carcinogen compounds and also included into SCF and EU lists. To increase the sensitivity of DIP-APPI-IMS the analysis was performed using a dopant assisted ionization method (benzene, 74 mg L −1 in N 2 ). It was found that the heating rate of the interface plays a crucial role for the whole analytical procedure. To prove the ability of this method to analyze PAHs in the mixture, the mixtures containing up to five PAHs were analyzed. The LODs for the analyzed compounds obtained with DIP-APPI-IMS were found to be in the tens- or hundreds-of-microgram-per-liter range. The obtained results are promising enough to ensure the potential of DIP as an introduction and a pre-separation step for ion mobility based methods. [ABSTRACT FROM AUTHOR]

A corona discharge (CD) ion mobility spectrometer combined with solid-phase microextraction was constructed. The detection limit and stability of the system for malathion detection were improved using a novel sample introduction port through which the sample desorption was performed in high-temperature drift tube and the sample was introduced directly to the ionization area. The working parameters of the distance between CD needle tip and carrier gas outlet, the drift tube and carrier gas temperature, the carrier gas flow, and the voltage on CD needle were selected. When the extraction time for standard malathion was set to 5 min, the detection limit was 0.96 µg L−1based on thrice the baseline noise, the linear range was 50–500 µg L−1, the correlation coefficient was approximately 0.9941, and the relative standard deviation was below 10%. Malathion-spiked lake water samples were analyzed using the developed system and the recovery was 92–102%. This method is suitable for the rapid detection of organophosphorus pesticide residues. [ABSTRACT FROM AUTHOR]

Static headspace gas chromatography-ion mobility spectrometry (SHS GC-IMS) is a relatively new analytical technique that has considerable potential for analysis of volatile organic compounds (VOCs). In this study, SHS GC-IMS was used for the identification of the major terpene components of various essential oils (EOs). Based on the data obtained from 25 terpene standards and 50 EOs, a database for fingerprint identification of characteristic terpenes and EOs was generated utilizing SHS GC-IMS for authenticity testing of fragrances in foods, cosmetics, and personal care products. This database contains specific normalized IMS drift times and GC retention indices for 50 terpene components of EOs. Initially, the SHS GC-IMS parameters, e.g., drift gas and carrier gas flow rates, drift tube, and column temperatures, were evaluated to determine suitable operating conditions for terpene separation and identification. Gas chromatography-mass spectrometry (GC-MS) was used as a reference method for the identification of terpenes in EOs. The fingerprint pattern based on the normalized IMS drift times and retention indices of 50 terpenes is presented for 50 EOs. The applicability of the method was proven on examples of ten commercially available food, cosmetic, and personal care product samples. The results confirm the suitability of SHS GC-IMS as a powerful analytical technique for direct identification of terpene components in solid and liquid samples without any pretreatment. [ABSTRACT FROM AUTHOR]

A laser-induced fluorescence (LIF) was used as a complimentary detection system for time-of-flight ion mobility spectrometry (TOF-IMS). A LIF detection system is potentially faster than a conventional electrometer detector and can provide additional (to usual for IMS drift time) analytical information, namely wavelength of fluorescence maxima and fluorescence lifetime. Therefore, better discrimination ability can be expected. Additionally, the combination of IMS and LIF operates at atmospheric pressure. This allows fluorescence measurements of specified ions and ion clusters, which would not survive in a mass spectrometer. An IMS drift cell of open design with both the electrometer and LIF detectors was designed. The feasibility of IMS-LIF was demonstrated on the example of the Xanthene dye Rhodamine 6G (R6G). Electrospray was used as an ionization source. The release and desolvation of R6G ions from the electrospray with following IMS-LIF analysis were demonstrated. The effects of experimental parameters (e.g., ion gate and drift voltages, distance to ESI emitter) are demonstrated and discussed. The obtained results are promising enough to ensure the potential of LIF as a complimentary/alternative detection system for time-of-flight ion mobility spectrometry. [ABSTRACT FROM AUTHOR]

Lack of sufficient resolving power is one common problem in quantitative determination using ion mobility spectrometry (IMS) method. This paper proposes a new application of stationary wavelet transform (SWT) in resolving the overlapped peaks in IMS. Firstly, the ion product overlapped peaks are denoised by wavelet transform and secondly, the overlapping peaks are resolved by looking into coefficients of SWT. One- and two-component overlapping ion peaks of IMS are processed with the developed SWT method, which yields the significant improvement of resolution. [ABSTRACT FROM AUTHOR]

Biogenic amines are degradation products generated through enzymatic and microbial processes during food spoilage, which may pose a health hazard to consumers at elevated levels. Trimethylamine (TMA) is a good target for the detection of biogenic amines due to its volatility and fishy odor. In this study, we developed a stand-alone dopant-assisted positive photoionization ion mobility spectrometry (DAPP-IMS) for rapid and sensitive detection of TMA. Response of TMA was enhanced by the addition of dopants and characteristic product ions with reduced mobility 2.26 cm 2 V −1 s −1 were formed. 2-Butaone was chosen as the dopant for better separation between reagent ion peak and TMA product ion peak as well as higher sensitivity and the limit of detections (LODs) for TMA standard sample was 1 ppb. The potential application of DAAP-IMS was evaluated by the detection of TMA generated by oyster and shrimp during 4 °C storage. Analysis of two kinds of seafood showed the same characteristic peak to TMA standard sample, and the intensity of TMA increased over the storage time. The results of this study testify to the potential of DAPP-IMS for qualitative and quantitative determination of TMA in real food samples. [ABSTRACT FROM AUTHOR]

Peak broadening in ion mobility (IM) is a relatively predictable process and abnormally broad peaks can be indicative of the presence of unresolved species. Here, we introduce a new ion mobility peak fitting (IM_FIT) software package for automated and systematic determination of traveling wave ion mobility (TWIM) unresolved species. To identify IM unresolved species, the IM_FIT software generates a trend line by plotting ions' mobility peak widths as a function of their arrival times. Utilizing user-defined thresholds, IM_FIT allows for automated and rapid detection of ions that deviate from the peak width trend line. To demonstrate the advantages of IM_FIT for automated detection of IM unresolved species, IM-mass spectrometry (IM-MS) data from a sample mixture containing polypropylene glycol and multiple peptides were analyzed. A total of 14 out of the 34 observed singly-charged IM peaks above 5% relative abundance ( i.e., signal-to-noise ratios above ∼200) were tagged as potentially co-eluting ions by IM_FIT. Subsequently, the 14 IM peaks tagged as potentially unresolved (presumably, peaks corresponding to co-eluting compounds), were further analyzed by automated IM deconvolution (AIMD), liquid chromatography-IM-MS (LC-IM-MS), and/or ultra-high resolution mass spectrometry. Using the aforementioned techniques, more than 85% of the tagged IM peaks (12 out of 14) were confirmed to contain co-eluting ions. As an additional new finding, IM_FIT facilitated the discovery of an unexpected sequence-scrambled y-type fragment ion. [ABSTRACT FROM AUTHOR]

Foodborne diseases encompass a wide spectrum of illnesses and are an emerging public health concern worldwide. The contamination of food with microorganisms may occur at any stage in the process from food production to consumption. Multi-organ failure and even cancer may result from the ingestion of microorganism-contaminated foodstuffs, representing a considerable burden of disability as well as mortality. Thus, fast and effective approaches for evaluation of microbial contamination in foodstuff are vital. In recent years, the microbial volatile organic compounds (MVOCs), as indicators of microbial contamination, have already been playing an important role in clinic diagnosis and environment monitoring, and they have gradually being used to evaluate the microbial contamination in foodstuff. The microbial volatile organic compounds are a variety of volatile compounds produced by fungi, molds and bacteria during metabolism. By far, more than 1000 organic compounds have been identified as MVOCs comprised of alcohols, aldehydes, hydrocarbons, acids, ethers, esters, ketones, terpenoids, sulfur and nitrogen compounds. It is difficult to make reliable lists of MVOCs for relevant microbial species, since different microorganisms could share the same MVOCs. Although none of them can be considered to be exclusive or specific for certain microbial species, the identification of microbial species can be performed by statistical analysis of the MVOCs profiles. In addition, the approach based on enzyme-generated MVOCs specific to certain microbial species has also been applied in identification of microbial flora. In this paper, we summarize MVOCs in foodstuff and their application in food safety inspection. Moreover, the most commonly used analytical methods for detection of MVOCs are introduced as well. Additionally, the use of the approaches in the identification of microbial species is also expounded in this review. [ABSTRACT FROM AUTHOR]

It is increasingly evident that a more detailed molecular structure analysis of isomeric lipids is critical to better understand their roles in biological processes. The occurrence of isomeric interference complicates conventional tandem mass spectrometry (MS/MS)-based determination, necessitating the development of more specialised methodologies to separate lipid isomers. The present review examines and discusses recent lipidomic studies based on ion mobility spectrometry combined with mass spectrometry (IMS-MS). Selected examples of the separation and elucidation of structural and stereoisomers of lipids are described based on their ion mobility behaviour. These include fatty acyls, glycerolipids, glycerophospholipids, sphingolipids, and sterol lipids. Recent approaches for specific applications to improve isomeric lipid structural information using direct infusion, coupling imaging, or liquid chromatographic separation workflows prior to IMS-MS are also discussed, including: 1) strategies to improve ion mobility shifts; 2) advanced tandem MS methods based on activation of lipid ions with electrons or photons, or gas-phase ion-molecule reactions; and 3) the use of chemical derivatisation techniques for lipid characterisation., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2023 Camunas-Alberca, Moran-Garrido, Sáiz, Gil-de-la-Fuente, Barbas and Gradillas.)

Phospholipids are major components of cell membranes and lipoprotein complexes. They are prone to oxidation by endogenous and exogenous reactive oxygen species yielding a large variety of modified lipids including small aliphatic and phospholipid bound aldehydes and ketones. These carbonyls are strong electrophiles that can modify proteins and, thereby, alter their structures and functions triggering various pathophysiological conditions. The analysis of lipid-protein adducts by liquid chromatography-MS is challenged by their mixed chemical nature (polar peptide and hydrophobic lipid), low abundance in biological samples, and formation of multiple isomers. Thus, we investigated traveling wave ion mobility mass spectrometry (TWIMS) to analyze lipid-peptide adducts generated by incubating model peptides corresponding to the amphipathic β1 sheet sequence of apolipoprotein B-100 with 1-palmitoyl-2-(oxo-nonanoyl)-sn-glycerophosphatidylcholine (PONPC). The complex mixture of peptides, lipids, and peptide-lipid adducts was separated by TWIMS, which was especially important for the identification of two mono-PONPC-peptide isomers containing Schiff bases at different lysine residues. Moreover, TWIMS separated structural conformers of one peptide-lipid adduct possessing most likely different orientations of the hydrophobic sn-1 fatty acyl residue and head group of PONPC, relative to the peptide backbone. [ABSTRACT FROM AUTHOR]

The gas phase ion chemistry for an ion mobility spectrometer (IMS) based explosive detector has been elucidated using tandem mass spectrometry. The IMS system, which is operated with hexachloroethane and isobutyramide reagent gases and an ion shutter type gating scheme, is connected to the atmospheric pressure interface of a triple quadrupole mass spectrometer (MS/MS). Product ion masses, daughter ion masses, and reduced mobility values for a collection of nitro, nitrate, and peroxide explosives measured with the IMS/MS/MS instrument are reported. The mass and mobility data together with targeted isotopic labeling experiments and information about sample composition and reaction environment are leveraged to propose molecular formulas, structures, and ionization pathways for the various product ions. The major product ions are identified as [DNT–H] − for DNT, [TNT–H] − for TNT, [RDX+Cl] − and [RDX+NO 2 ] − for RDX, [HMX+Cl] − and [HMX+NO 2 ] − for HMX, [NO 3 ] − for EGDN, [NG+Cl] − and [NG+NO 3 ] − for NG, [PETN+Cl] − and [PETN+NO 3 ] − for PETN, [HNO 3 +NO 3 ] − for NH 4 NO 3 , [NO 2 ] − for DMNB, [HMTD–NC 3 H 6 O 3 +H+Cl] − and [HMTD+H–CH 2 O–H 2 O 2 ] + for HMTD, and [(CH 3 ) 3 CO 2 ] + for TATP. In general, the product ions identified for the IMS system studied here are consistent with the product ions reported previously for an ion trap mobility spectrometer (ITMS) based explosive trace detector, which is operated with dichloromethane and ammonia reagent gases and an ion trap type gating scheme. Differences between the explosive trace detectors include the [NG+Cl] − and [PETN+Cl] − product ions being major ions in the IMS system compared to minor ions in the ITMS system as well as the major product ion for TATP being [(CH 3 ) 3 CO 2 ] + for the IMS system and [(CH 3 ) 2 CNH 2 ] + for the ITMS system. [ABSTRACT FROM AUTHOR]

Collision-induced dissociation (CID) of m/z-isolated w type fragment ions and an intact 5′ phosphorylated DNA oligonucleotide generated rearranged product ions. Of the 21 studied w ions of various nucleotide sequences, fragment ion sizes, and charge states, 18 (~86%) generated rearranged product ions upon CID in a Synapt G2-S HDMS (Waters Corporation, Manchester, England, UK) ion mobility-mass spectrometer. Mass spectrometry (MS), ion mobility spectrometry (IMS), and theoretical modeling data suggest that purine bases can attack the free 5′ phosphate group in w type ions and 5′ phosphorylated DNA to generate sequence permuted [phosphopurine] fragment ions. We propose and discuss a potential mechanism for generation of rearranged [phosphopurine] and complementary y-B type product ions. [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

Ion mobility spectrometry (IMS) is an appropriate technique to detect and identify chemical warfare agents (CWAs), in particular nerve agents. In many cases, the challenge is to correctly distinguish between nerve agents such as sarin, soman, tabun and VX. This paper presents the identification of CWAs by PRS-1W, a detector that uses IMS combined with differential mobility spectrometry (DMS). [ABSTRACT FROM AUTHOR]

In this research, homogeneous liquid-liquid extraction followed by ion mobility spectrometry (HLLE-IMS) with corona discharge ionization source has been developed for the determination of p-toluidine. The analyte was extracted by single-phase extraction in a ternary solvent system and then the extracted p-toluidine was injected into IMS for analysis. Optimization of different parameters which could influence HLLE-IMS was performed. Under optimum conditions, the dynamic linear range was obtained over 2.0-40.0 ng/mL with R = 0.9966 while relative standard deviation was below 10 %. The limits of detection and quantification were 0.6 and 2.0 ng/mL of p-toluidine, respectively. The proposed method was applied to determine p-toluidine in environmental water samples which resulted in acceptable recoveries of the analyte, ranging from 85.3 %-90 %. [ABSTRACT FROM AUTHOR]