Proton Transfer Reaction Mass Spectrometry Research Articles

The application of PTR-MS and non-targeted analysis to characterize VOCs emitted from a plastic recycling facility fire.

On April 11th, 2023, the My Way Trading (MWT) recycling facility in Richmond, Indiana caught fire, mandating the evacuation of local residents and necessitating the U.S. Environmental Protection Agency (EPA) to conduct air monitoring. The EPA detected elevated levels of plastic combustion-related air pollutants, including hydrogen cyanide and benzene. We aimed to identify these and other volatile organic compounds (VOCs) present as well as to identify the potential hazard of each compound for various human health effects. To identify the VOCs, we conducted air monitoring at sites within and bordering the evacuation zone using proton transfer reaction mass spectrometry (PTR-MS) and non-targeted analysis (NTA). To facilitate risk assessment of the emitted VOCs, we used the EPA Hazard Comparison Dashboard. We identified 46 VOCs, within and outside the evacuation zone, with average detection levels above local background levels measured in Middletown, OH. Levels of hydrogen cyanide and 4 other VOCs were at least 1.8-fold higher near the incidence site in comparison to background levels and displayed unique temporal and spatial patterns. The 46 VOCs identified had the highest hazardous potential for eye and skin irritation, with approximately 45% and 39%, respectively, of the VOCs classified as high and very high hazards for these endpoints. Notably, all detected VOC levels were below the hazard thresholds set for single VOC exposures; however, hazard thresholds for exposure to VOC mixtures are currently unclear. This study serves as a proof-of-concept that PTR-MS coupled with NTA can facilitate rapid identification and hazard assessment of VOCs emitted following anthropogenic disasters. Furthermore, it demonstrates that this approach may augment future disaster responses to quantify additional VOCs present in complex combustion mixtures.

Demonstrating the Applicability of Proton Transfer Reaction Mass Spectrometry to Quantify Volatiles Emitted by the Mycoparasitic Fungus Trichoderma atroviride in Real Time: Monitoring of Trichoderma-Based Biopesticides.

The present study aims to explore the potential application of proton transfer reaction time-of-flight mass spectrometry (PTR-ToF-MS) for real-time monitoring of microbial volatile organic compounds (MVOCs). This investigation can be broadly divided into two parts. First, a selection of 14 MVOCs was made based on previous research that characterized the MVOC emissions of Trichoderma atroviride, which is a filamentous fungus widely used as a biocontrol agent. The analysis of gas-phase standards using PTR-ToF-MS allowed for the categorization of these 14 MVOCs into two groups: the first group primarily undergoes nondissociative proton transfer, resulting in the formation of protonated parent ions, while the second group mainly undergoes dissociative proton transfer, leading to the formation of fragment ions. In the second part of this investigation, the emission of MVOCs from samples of T. atroviride was continuously monitored over a period of five days using PTR-ToF-MS. This also included the first quantitative online analysis of 6-amyl-α-pyrone (6-PP), a key MVOC emitted by T. atroviride. The 6-PP emissions of T. atroviride cultures were characterized by a gradual increase over the first two days of cultivation, reaching a plateau-like maximum with volume mixing ratios exceeding 600 ppbv on days three and four. This was followed by a marked decrease, where the 6-PP volume mixing ratios plummeted to below 50 ppbv on day five. This observed sudden decrease in 6-PP emissions coincided with the start of sporulation of the T. atroviride cultures as well as increasing intensities of product ions associated with 1-octen-3-ol and 3-octanone, whereas both these MVOCs were previously associated with sporulation in T. atroviride. The study also presents the observations and discussion of further MVOC emissions from the T. atroviride samples and concludes with a critical assessment of the possible applications and limitations of PTR-ToF-MS for the online monitoring of MVOCs from biological samples in real time.

Textile sorption and release of odorous volatile organic compounds from a synthetic sweat solution

Textile sorption and release of odorous volatile organic compounds from a synthetic sweat solution

Online headspace monitoring of volatile organic compounds using proton transfer reaction-mass spectrometry: application to the multiphase atmospheric fate of 2,4-hexadienedial

Online headspace monitoring of volatile organic compounds using proton transfer reaction-mass spectrometry: application to the multiphase atmospheric fate of 2,4-hexadienedial

Response of protonated, adduct, and fragmented ions in Vocus proton-transfer-reaction time-of-flight mass spectrometer (PTR-ToF-MS)

Abstract. Volatile organic compounds (VOCs) affect secondary pollutant formation via active chemistry. Proton-transfer-reaction mass spectrometry (PTR-MS) is one of the most important techniques to study the highly variable spatial and temporal characteristics of VOCs. The response of protonated, adduct, and fragmented ions in PTR-MS in changing instrument settings and varying relative humidity (RH) requires rigorous characterization. Herein, we present dedicatedly designed laboratory experiments conducted to investigate the response of these ions for 21 VOCs, including 12 oxygenated VOCs and 2 nitriles, using the recently developed Vocus PTR-MS. Our results show that the focusing ion–molecule reactor (FIMR) axial voltage increases sensitivity by 3 to 4 orders of magnitude but does not significantly change the fractions of protonated ions. Reducing the FIMR pressure, however, substantially increases fragmentation. Applying a high radio frequency (RF) amplitude radially to the FIMR can enhance sensitivity by 1 to 2 orders of magnitude without affecting the protonated ion fractions. The change in big segmented quadrupole (BSQ) amplitude mainly affects sensitivity and protonated ion fraction by modifying ion transmission. The relationship between sensitivity and proton-transfer reaction rate constant is complicated by the influences from both ion transmission and protonated ion fraction. The protonated ions of most VOCs studied (19 out of 21) show less than 15 % variations in sensitivity as RH increases from ∼ 5% to ∼ 85 %, except for some long-chain aldehydes which show a positive RH variation of up to 30 %. Our results suggest that the Vocus PTR-MS can reliably quantify the majority of VOCs under ambient conditions with varying RH. However, caution is advised for small oxygenates such as formaldehyde and methanol due to their low sensitivity and for long-chain aldehydes due to their slight RH dependence and fragmentation.

Drivers of the In-Mouth Interaction between Lupin Protein Isolate and Selected Aroma Compounds: A Proton Transfer Reaction-Mass Spectrometry and Dynamic Time Intensity Analysis.

Plant proteins often carry off-notes, necessitating customized aroma addition. In vitro studies revealed protein-aroma binding, limiting release during consumption. This study employs in vivo nose space proton transfer reaction-time-of-flight-mass spectrometry and dynamic sensory evaluation (time intensity) to explore in-mouth interactions. In a lupin protein-based aqueous system, a sensory evaluation of a trained "green" attribute was conducted simultaneously with aroma release of hexanal, nonanal, and 2-nonanone during consumption. Results demonstrated that enlarging aldehyde chains and relocating the keto group reduced maximum perceived intensity (Imax_R) by 71.92 and 72.25%. Protein addition decreased Imax_R by 30.91, 36.84, and 72.41%, indicating protein-aroma interactions. Sensory findings revealed a perceived intensity that was lower upon protein addition. Aroma lingering correlated with aroma compounds' volatility and hydrophobicity, with nonanal exhibiting the longest persistence. In vitro mucin addition increased aroma binding four to 12-fold. Combining PTR-ToF-MS and time intensity elucidated crucial food behavior, i.e., protein-aroma interactions, that are pivotal for food design.

Analysis and identification of degradation products in gas, particle, and liquid phases of polypropylene and polyethyleneterephthalate microplastics aging through non-thermal plasma simulation.

Plastic aging can cause alterations in the physical and chemical characteristics of plastics, as well as their behavior in the environment. Due to the extremely slow natural aging process, laboratory simulated aging methods have to be used. In this study, non-thermal plasma (NTP) was adopted to investigate the aging process of polypropylene (PP) and polyethylene terephthalate (PET) microplastics. Various analytical instruments, including proton transfer reaction mass spectrometry and single-particle aerosol mass spectrometry, were employed to examine and identify the organic constituents of the gas, liquid, and particle phase degradation products, as well as to monitor the degradation process. The results showed that after 90min of aging, both PP and PET surfaces showed yellowing, and the carbonyl index of PP increased while that of PET decreased, with an increase in crystallinity. The organic components of reaction products, such as ketones, esters, acids, and alcohols, increased with longer aging times. Gas products mainly contain aromatic hydrocarbons, while particles from aged PET contain compounds with benzene rings and metal elements. Liquid products from aged PP show a significant presence of branched alkanes. Based on this analysis, degradation mechanisms of PP and PET by NTP were proposed. This investigation represents the initial systematically exploration of the release of organic substances during the degradation of microplastics mediated by NTP. It provides significant insights into the detrimental organic compounds emitted during this process, thereby offering valuable information for understanding the environmental and human health implications of natural microplastic degradation. Furthermore, it addressed the requirements for increased attention to the potential environmental risks associated with these harmful components.

Light oxygenated volatile organic compound concentrations in an Eastern Mediterranean urban atmosphere rivalling those in megacities

Highly resolved measurements of primary and secondary oxygenated volatile organic compounds (OVOCs) by proton-transfer-reaction mass spectrometry (PTR-MS) and the AMOVOC sampler (Airborne Measurements Of VOC) were performed in Beirut, Lebanon, during the ECOCEM (Emissions and Chemistry of Organic Carbon in the East Mediterranean) experiments. The OVOC concentrations (0.15–7.0 ppb) rival those reported for international megacities like Paris, Tokyo, or São Paulo (0.3–6.5 ppb). This study highlights the seasonal variability of OVOCs, the potential role of background pollution on OVOC concentrations, traffic emissions of OVOCs, and the secondary production of OVOCs during both summer and winter.The primary and secondary OVOC fractions were estimated using two methods based on the night-time emission ratio and photochemical age. Our calculations coupled with a correlation analysis revealed the following: firstly, background concentrations contributed significantly, especially for longer-lived OVOCs, such as methanol and acetone (30%–80%). Secondly, secondary production in summer increased up to 60%, except for methanol and isoprene oxidation products, i.e., for methacrolein and methyl vinyl ketone. Thirdly, the secondary production in the Eastern Mediterranean persisted in winter, and finally, strong primary traffic emissions dominated the primary biogenic emissions.Finally, the emission ratios were used to evaluate the global anthropogenic emission inventories downscaled to Lebanon. Although limited to two individual non-lumped species (formaldehyde and acetone), the emission ratios compared well, within a factor of 2. However, the emissions of aldehydes and ketones from the CAMS, Edgar, and MACCITY inventories showed discrepancies of up to three orders of magnitude. This demonstrates a need for improved OVOC representation in emission inventories, considering the atmospheric relevance and abundance of OVOCs and their use in volatile chemical products.

Rapid Determination of Different Ripening Stages of Occidental Pears (Pyrus communis L.) by Volatile Organic Compounds Using Proton-Transfer-Reaction Mass Spectrometry (PTR-MS).

Determination of Occidental pear (Pyrus communis) ripening is difficult because the appearance of Occidental pears does not change significantly during the ripening process. Occidental pears at different ripening stages release different volatile organic compounds (VOCs), which can be used to determine fruit ripeness non-destructively and rapidly. In this study, VOCs were detected using proton-transfer-reaction mass spectrometry (PTR-MS). Notably, data were acquired within 1 min. Occidental pears harvested at five separate times were divided into three ripening stages: unripe, ripe, and overripe. The results showed that the composition of VOCs differed depending on the ripening stage. In particular, the concentrations of esters and terpenes significantly increased during the overripe stage. Three ripening stages were clearly discriminated by heatmap clustering and principal component analysis (PCA). This study provided a rapid and non-destructive method to evaluate the ripening stages of Occidental pears. The result can help fruit farmers to decide the optimum harvest time and hence reduce their economic losses.

Key results from the salt lake regional smoke, ozone, and aerosol study (SAMOZA)

ABSTRACT The Northern Wasatch Front area is one of ~ 50 metropolitan regions in the U.S. that do not meet the 2015 O3 standard. To better understand the causes of high O3 days in this region we conducted the Salt Lake regional Smoke, Ozone and Aerosol Study (SAMOZA) in the summer of 2022. The primary goals of SAMOZA were: Measure a suite of VOCs, by Proton Transfer Reaction Mass Spectrometry (PTR-MS) and the 2,4-dinitrophenylhydrazine (DNPH) cartridge method. Evaluate whether the standard UV O3 measurements made in SLC show a positive bias during smoke events, as has been suggested in some recent studies. Use the observations to conduct photochemical modeling and statistical/machine learning analyses to understand photochemistry on both smoke-influenced and non-smoke days. Implications: The Northern Wasatch Front area is one of ~50 metropolitan regions in the U.S. that do not meet the 2015 O3 standard. To better understand the causes of high O3 days in this region we conducted the Salt Lake regional Smoke, Ozone and Aerosol Study (SAMOZA) in the summer of 2022. A number of policy relevant findings are identified in the manuscript including role of smoke and NOx vs VOC sensitivity.

Atmospheric Degradation of Ecologically Important Biogenic Volatiles: Investigating the Ozonolysis of (E)-β-Ocimene, Isomers of α and β-Farnesene, α-Terpinene and 6-Methyl-5-Hepten-2-One, and Their Gas-Phase Products.

Biogenic volatile organic compounds (bVOCs), synthesised by plants, are important mediators of ecological interactions that can also undergo a series of reactions in the atmosphere. Ground-level ozone is a secondary pollutant generated through sunlight-driven reactions between nitrogen oxides (NOx) and VOCs. Its levels have increased since the industrial revolution and reactions involving ozone drive many chemical processes in the troposphere. While ozone precursors often originate in urban areas, winds may carry these hundreds of kilometres, causing ozone formation to also occur in less populated rural regions. Under elevated ozone conditions, ozonolysis of bVOCs can result in quantitative and qualitative changes in the gas phase, reducing the concentrations of certain bVOCs and resulting in the formation of other compounds. Such changes can result in disruption of bVOC-mediated behavioural or ecological interactions. Through a series of gas-phase experiments using Gas Chromatography Mass Spectrometry (GC-MS) and Proton Transfer Reaction Mass Spectrometry (PTR-MS), we investigated the products and their yields from the ozonolysis of a range of ubiquitous bVOCs, which were selected because of their importance in mediating ecological interactions such as pollinator and natural enemy attraction and plant-to-plant communication, namely: (E)-β-ocimene, isomers of α and β-farnesene, α-terpinene and 6-methyl-5-hepten-2-one. New products from the ozonolysis of these compounds were identified, and the formation of these compounds is consistent with terpene-ozone oxidation mechanisms. We present the degradation mechanism of our model bVOCs and identify their reaction products. We discuss the potential ecological implications of the degradation of each bVOC and of the formation of reaction products.

Qualitative and quantitative rapid detection of VOCs differentially released by VAP-associated bacteria using PTR-MS and FGC-PTR-MS.

Ventilator-associated pneumonia (VAP) is a prevalent disease caused by microbial infection, resulting in significant morbidity and mortality within the intensive care unit (ICU). The rapid and accurate identification of pathogenic bacteria causing VAP can assist clinicians in formulating timely treatment plans. In this study, we attempted to differentiate bacterial species in VAP by utilizing the volatile organic compounds (VOCs) released by pathogens. We cultured 6 common bacteria in VAP in vitro, including Acinetobacter baumannii, Enterobacter cloacae, Escherichia coli, Pseudomonas aeruginosa, Stenotrophomonas maltophilia, and Staphylococcus aureus, which covered most cases of VAP infection in clinic. After the VOCs released by bacteria were collected in sampling bags, they were quantitatively detected by a proton transfer reaction-mass spectrometry (PTR-MS), and the characteristic ions were qualitatively analyzed through a fast gas chromatography-proton transfer reaction-mass spectrometry (FGC-PTR-MS). After conducting principal component analysis (PCA) and analysis of similarities (ANOSIM), we discovered that the VOCs released by 6 bacteria exhibited differentiation following 3 h of quantitative cultivation in vitro. Additionally, we further investigated the variations in the types and concentrations of bacterial VOCs. The results showed that by utilizing the differences in types of VOCs, 6 bacteria could be classified into 5 sets, except for A. baumannii and E. cloacae which were indistinguishable. Furthermore, we observed significant variations in the concentration ratio of acetaldehyde and methyl mercaptan released by A. baumannii and E. cloacae. In conclusion, the VOCs released by bacteria could effectively differentiate the 6 pathogens commonly associated with VAP, which was expected to assist doctors in formulating treatment plans in time and improve the survival rate of patients.

Early detection of acrolein precursors in vegetable oils by using proton transfer reaction – mass spectrometry

Acrolein is a toxic volatile compound derived from oxidative processes, that can be formed in foods during storage and cooking. This study employs proton transfer reaction mass spectrometry (PTR-MS) to detect acrolein precursors in vegetable oils by focusing on the m/z (mass-to-charge ratio) 57. To this purpose, hempseed, sesame, walnut, olive and linseed oils were stored for 168 h at 60 °C in presence of 2,2′-azobis(2-metilpropionitrile) (3 mM) radicals initiator. The evolution of m/z 57 by PTR-MS was also compared with traditional lipid oxidation indicators such as peroxide value, conjugated diene, oxygen consumption and, isothermal calorimetry. The obtained results were explained by the fatty acid composition and antioxidant capacity of the oils. Hempseed fresh oil presented a very low total volatile organic compounds (VOCs) intensity (5.6 kncps). Nonetheless, after storage the intensity increased ∼70 times. A principal component analysis (PCA) confirmed the potential of m/z 57 to differentiate fresh versus rancid hempseed oil sample. During an autoxidation experiment oils high in linolenic and linoleic acids showed higher m/z 57 emissions and shorter induction times: linseed oil (38 h) > walnut oil (47 h) > hempseed oil (80 h). The m/z 57 emission presented a high correlation coefficient with the total VOC signal (r > 0.95), conjugated dienes and headspace oxygen consumption. A PCA analysis showed a complete separation of the fresh oils on the first component (most significant) with the exception of olive oil. Walnut, hempseed and linseed oil were placed on the extreme right nearby total VOCs and m/z 57. The results obtained highlight the potential of PTR-MS for the early detection of oil autoxidation, serving as a quality control tool for potential acrolein precursor emissions, thereby enhancing food safety in the industry.

Comparative Analysis of Volatile Organic Compound Purification Techniques in Complex Cooking Emissions: Adsorption, Photocatalysis and Combined Systems.

Volatile organic compounds (VOCs) are molecules present in our everyday life, and they can be positive, such as in the formation of odour and food flavour, or harmful to the environment and humans, and research is focusing on limiting their emissions. Various methods have been used to achieve this purpose. Firstly, we review three main degradation methods: activated carbon, photocatalysis and a synergetic system. We provide a general overview of the operative conditions and report the possibility of VOC abatement during cooking. Within the literature, none of these systems has ever been tested in the presence of complex matrices, such as during cooking processes. The aim of this study is to compare the three methods in order to understand the behaviour of filter systems in the case of realistically complex gas mixtures. Proton transfer reaction-mass spectrometry (PTR-MS) has been used in the real-time monitoring of volatilome. Due to the fact that VOC emissions are highly dependent on the composition of the food cooked, we evaluated the degradation capacity of the three systems for different burger types (meat, greens, and fish). We demonstrate the pros and cons of photocatalysis and adsorption and how a combined approach can mitigate the drawbacks of photocatalysis.

Phenols and saliva effect on virgin olive oil aroma release: A chemical and sensory approach

The sensory perception of virgin olive oil is complex and produced mainly by phenols and volatiles. These compounds are affected by the interaction with other components of the oil matrix and by biological factors. The aim of the work was to study the saliva effect and/or the presence of phenols on the release of 12 volatiles, using different olive oil matrices and volatile concentrations, and applying Solid Phase Microextration-Gas Chromatography-Flame Ionization Detection, Proton Transfer Reaction-Mass Spectrometry and sensory analysis. The volatile concentrations in the headspace showed significant differences (p < 0.05) between the different matrices, being easily detected the effect exerted by phenols and biological components from 3.8 mg/Kg. The results showed that the presence of unsaturation in the volatile molecules affect their release, being lower the concentration of saturated volatiles released in presence of phenols. All the compounds were in higher concentration in the headspace of the olive oil-phenol-saliva matrix.

Real-time indoor sensing of volatile organic compounds during building disinfection events via photoionization detection and proton transfer reaction mass spectrometry

Photoionization detectors (PIDs) are low-cost sensors that are widely used for real-time volatile organic compound (VOC) monitoring in buildings. Performance assessment of PIDs is often based on reference VOC measurements derived from offline, time-integrated sample analysis. Such assessment techniques lack valuable real-time information that is needed to evaluate how PIDs track transient VOC emission events. The objective of this study is to evaluate the real-time performance of a PID in sensing indoor VOC mixtures during building disinfection events through co-location measurements with a state-of-the-art proton transfer reaction time-of-flight mass spectrometer (PTR-TOF-MS). Field measurements were conducted in a tiny house laboratory using an isobutylene-calibrated PID and a PTR-TOF-MS during the use of spray-based disinfectants. The PID and PTR-TOF-MS measurements demonstrated that chemical disinfectants are a major source of VOCs in buildings, with the latter revealing the presence of a large diversity of VOCs. In general, the PID was successful in identifying VOC emission events during the application of the disinfectants. Thus, PIDs may be suitable for integration with building automation systems for ventilation control. The PID response was much less than the PTR-TOF-MS response, suggesting that the PID is not efficiently detecting many components of the emitted VOC mixtures. The PID performed best for alcohol-based disinfectants, moderately well for lactic acid- and botanical-based disinfectants, and poorly for disinfectants featuring peracetic and acetic acid. Detailed correlation analysis between the PID and PTR-TOF-MS responses provides a basis for improving the reliability of PIDs in estimating VOC concentrations through application of product-specific correction factors.

Direct mass spectrometry analysis of exhaled human breath in real-time.

The molecular composition of exhaled human breath can reflect various physiological and pathological conditions. Considerable progress has been achieved over the past decade in real-time analysis of exhaled human breath using direct mass spectrometry methods, including selected ion flow tube mass spectrometry, proton transfer reaction mass spectrometry, extractive electrospray ionization mass spectrometry, secondary electrospray ionization mass spectrometry, acetone-assisted negative photoionization mass spectrometry, atmospheric pressure photoionization mass spectrometry, and low-pressure photoionization mass spectrometry. Here, recent developments in direct mass spectrometry analysis of exhaled human breath are reviewed with regard to analytical performance (chemical sensitivity, selectivity, quantitative capabilities) and applications of the developed methods in disease diagnosis, targeted molecular detection, and real-time metabolic monitoring.

Promoting multiple reactive oxygen species generation for deep oxidation of VOCs by UV/persulfate/permanganate

Advanced oxidation processes (AOPs) could effectively remove volatile organic compounds (VOCs) when coupled with wet scrubbing process. However, it still faces challenges in achieving deep oxidation of VOCs due to the limited production of reactive oxygen species (ROS). Herein, we present the utilization of permanganate (KMnO4) as a co-oxidant to enhance VOCs oxidation in UV/persulfate (PDS)/KMnO4 system. The removal efficiency of a targeted VOC, toluene, kept high at above 90% throughout the entire long-term reaction of 4 h, which was much higher than that of UV/PDS and UV/KMnO4. Notably, the in-situ formed manganese oxide (MnOx) acts as a catalyst in UV/MnOx and UV/MnOx/PDS, facilitating the generation of various ROS and thereby enhancing VOCs degradation. Electron paramagnetic resonance (EPR) and quenching experiments indicated that sulfate radical (SO4−), hydroxyl radical (HO), superoxide radical (O2−) and singlet oxygen (1O2) were the main ROS generated in the UV/PDS/KMnO4 system. The overall oxidation process can be divided into three stages: the UV/KMnO4-dominated stage, the UV/MnOx/PDS-dominated stage, and the UV/MnOx-dominated stage. Correspondingly, HO played a major role in toluene oxidation in the UV/KMnO4-dominated and UV/MnOx-dominated stages, with the contributions of 48% and 52%, respectively. Meanwhile, SO4− played a more significant role in the UV/MnOx/PDS-dominated stage, with a contribution of 59%. Three main reaction pathways involving electron abstraction, HO addition and benzene ring opening were proposed based on the intermediates identified by proton-transfer-reaction mass spectrometry (PTR-MS). This study provided a deep understanding of KMnO4 in improving the oxidation capacity of UV-based AOPs for VOCs degradation, emphasizing the importance of in-situ formed MnOx for promoting multiple ROS generation.

Ultrahigh Sensitivity PTR-MS Instrument with a Well-Defined Ion Chemistry.

Proton-transfer-reaction mass spectrometry (PTR-MS) is widely used for measuring organic trace gases in air. In traditional PTR-MS, both nonpolar and polar analytes are ionized with unit efficiency, as predicted from ion-molecule collision theories. This well-defined ion chemistry allows for direct quantification of analytes without prior calibration and therefore is an important characteristic of PTR-MS. In an effort to further increase the sensitivity, recently developed ultrahigh sensitivity chemical ionization mass spectrometry (CIMS) analyzers have, however, been reported to have sacrificed unit ionization efficiency for selected analytes or classes of analytes. We herein report on the development of a novel ultrasensitive PTR-MS instrument, the FUSION PTR-TOF 10k, which exhibits the same universal unit response as conventional PTR-MS analyzers. The core component of this analyzer is the newly designed FUSION ion-molecule reactor, which is a stack of concentric ring electrodes generating a static longitudinal electric field superimposed by a focusing transversal radiofrequency (RF) field. The FUSION PTR-TOF 10k instrument is equipped with an improved ion source, capable of switching between different reagent ions (H3O+, O2+, NO+, NH4+) in less than one second. The improved time-of-flight mass spectrometer analyzes m/z signals with a mass resolution in the 10000-15000 range. FUSION PTR-TOF 10k achieves sensitivities up to 80000 cps ppbV-1 and detection limits down to 0.5 pptV for a 1 s measurement time. We show time-series of naphthalene and 13C-napthalene as measured in ambient air in Innsbruck for demonstrating the sub-pptV detection capability of this novel FUSION PTR-TOF 10k.

Rapid identification of artificial fragrant rice based on volatile organic compounds: From PTR-MS to FTIR.

The volatile organic compounds (VOCs) released from foods can reflect their internal properties. Artificial fragrant rice (AFR) is a fraudulent food product in which the flavor of low-quality rice is artificially enhanced by addition of essence. In this study, proton-transfer reaction mass spectrometry, long optical path gas phase FTIR spectroscopy and fiber optic evanescent wave were used to analyze the characteristic mass-charge ratios signal and infrared fingerprint signal of four essence which may be used to make AFR, and the prepared AFR samples with different essence levels (0.001%-0.3%) were used to verify the detection performance of the detection methods. The results show that the three detection methods effectively identified AFR containing the minimum recommended dose of essence (≥0.1%, w/w). The above detection methods can provide detection results in real time without complex sample pretreatment and provide options as rapid screening methods for food regulatory authorities to identify AFR.