Evaluation of NO&amp;lt;sup&amp;gt;+&amp;lt;/sup&amp;gt; reagent ion chemistry for online measurements of
atmospheric volatile organic compounds

Koss, A.; Warneke, C.; Yuan, Bin; Coggon, Matthew M.; Veres, P. R.; Gouw, J. A. de

doi:10.5194/amt-9-2909-2016

Cited by 55 publications

(82 citation statements)

References 46 publications

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“…The PTRToF instrument in NO + configuration (NO + -CIMS) can therefore detect several additional classes of NMOGs (e.g., branched alkanes) and can differentiate some sets of isomers, such as aldehydes and ketones, and nitriles and pyrroles. NO + -CIMS is described in detail by Koss et al (2016). The NO + -CIMS was used to measure emissions directly from a small number of coniferous fuels and as the detector for the GC instrument for several fuel types.…”

Section: Ptr-tof and Nomentioning

confidence: 99%

Non-methane organic gas emissions from biomass burning: identification, quantification, and emission factors from PTR-ToF during the FIREX 2016 laboratory experiment

et al. 2018

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Abstract. Volatile and intermediate-volatility non-methane organic gases (NMOGs) released from biomass burning were measured during laboratory-simulated wildfires by protontransfer-reaction time-of-flight mass spectrometry (PTRToF). We identified NMOG contributors to more than 150 PTR ion masses using gas chromatography (GC) preseparation with electron ionization, H 3 O + chemical ionization, and NO + chemical ionization, an extensive literature review, and time series correlation, providing higher certainty for ion identifications than has been previously available. Our interpretation of the PTR-ToF mass spectrum accounts for nearly 90 % of NMOG mass detected by PTR-ToF across all fuel types. The relative contributions of different NMOGs to individual exact ion masses are mostly similar across many fires and fuel types. The PTR-ToF measurements are compared to corresponding measurements from open-path Fourier transform infrared spectroscopy (OP-FTIR), broadband cavity-enhanced spectroscopy (ACES), and iodide ion chemical ionization mass spectrometry (I − CIMS) where possible. The majority of comparisons have slopes near 1 and values of the linear correlation coefficient, R 2 , of > 0.8, including compounds that are not frequently reported by PTR-MS such as ammonia, hydrogen cyanide (HCN), nitrous acid (HONO), and propene. The exceptions include methylglyoxal and compounds that are known to be difficult to measure with one or more of the deployed instruments. The fireintegrated emission ratios to CO and emission factors of NMOGs from 18 fuel types are provided. Finally, we provide an overview of the chemical characteristics of detected species. Non-aromatic oxygenated compounds are the most abundant. Furans and aromatics, while less abundant, comprise a large portion of the OH reactivity. The OH reactivity, its major contributors, and the volatility distribution of emissions can change considerably over the course of a fire.

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Section: Ptr-tof and Nomentioning

confidence: 99%

Non-methane organic gas emissions from biomass burning: identification, quantification, and emission factors from PTR-ToF during the FIREX 2016 laboratory experiment

et al. 2018

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“…branched alkanes) and can 145 differentiate some sets of isomers, such as aldehydes and ketones, and nitriles and pyrroles. NO + -CIMS is 146 described in detail by Koss et al (2016). The NO + -CIMS was used to measure emissions directly, from a 147 small number of coniferous fuels, and as the detector for the GC instrument, for several fuel types.…”

Section: Chemical Ionization Of 142mentioning

confidence: 99%

Non-methane organic gas emissions from biomass burning: identification, quantification, and emission factors from PTR-ToF during the FIREX 2016 laboratory experiment

Koss¹,

Sekimoto²,

Gilman³

et al. 2017

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18Volatile and intermediate-volatility non-methane organic gases (NMOGs) released from biomass 19 burning were measured during laboratory-simulated wildfires by proton-transfer-reaction time-of-flight 20 mass spectrometry (PTR-ToF). We identified NMOG contributors to more than 150 PTR ion masses using 21 gas chromatography (GC) pre-separation with electron ionization, H3O + chemical ionization, and NO 2Furans and aromatics, while less abundant, comprise a large portion of the OH reactivity. The OH reactivity, 36 its major contributors, and the volatility distribution of emissions can change considerably over the course 37 of a fire. 38

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“…The reactivity of several VOCs (mostly alkanes) was studied employing NO + as primary ion at 60 Td E/N. 6 The possibility of employing similar conditions for H 3 O + was demonstrated, provided cluster chemistry and adduct formation are taken into account. 7 The use of O 2 + as primary ion under low reduced drift field conditions has, to our knowledge, never been reported.…”

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confidence: 99%

Identification and quantification of VOCs by proton transfer reaction time of flight mass spectrometry: An experimental workflow for the optimization of specificity, sensitivity, and accuracy

Romano

Hanna

2018

J Mass Spectrom

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Proton transfer reaction time of flight mass spectrometry (PTR‐ToF‐MS) is a direct injection MS technique, allowing for the sensitive and real‐time detection, identification, and quantification of volatile organic compounds. When aiming to employ PTR‐ToF‐MS for targeted volatile organic compound analysis, some methodological questions must be addressed, such as the need to correctly identify product ions, or evaluating the quantitation accuracy. This work proposes a workflow for PTR‐ToF‐MS method development, addressing the main issues affecting the reliable identification and quantification of target compounds. We determined the fragmentation patterns of 13 selected compounds (aldehydes, fatty acids, phenols). Experiments were conducted under breath‐relevant conditions (100% humid air), and within an extended range of reduced electric field values (E/N = 48–144 Td), obtained by changing drift tube voltage. Reactivity was inspected using H3O+, NO+, and O2 + as primary ions. The results show that a relatively low (<90 Td) E/N often permits to reduce fragmentation enhancing sensitivity and identification capabilities, particularly in the case of aldehydes using NO+, where a 4‐fold increase in sensitivity is obtained by means of drift voltage reduction. We developed a novel calibration methodology, relying on diffusion tubes used as gravimetric standards. For each of the tested compounds, it was possible to define suitable conditions whereby experimental error, defined as difference between gravimetric measurements and calculated concentrations, was 8% or lower.

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Evaluation of NO<sup>+</sup> reagent ion chemistry for online measurements of atmospheric volatile organic compounds

Cited by 55 publications

References 46 publications

Non-methane organic gas emissions from biomass burning: identification, quantification, and emission factors from PTR-ToF during the FIREX 2016 laboratory experiment

Non-methane organic gas emissions from biomass burning: identification, quantification, and emission factors from PTR-ToF during the FIREX 2016 laboratory experiment

Non-methane organic gas emissions from biomass burning: identification, quantification, and emission factors from PTR-ToF during the FIREX 2016 laboratory experiment

Identification and quantification of VOCs by proton transfer reaction time of flight mass spectrometry: An experimental workflow for the optimization of specificity, sensitivity, and accuracy

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Evaluation of NO&lt;sup&gt;+&lt;/sup&gt; reagent ion chemistry for online measurements of atmospheric volatile organic compounds

Cited by 55 publications

References 46 publications

Non-methane organic gas emissions from biomass burning: identification, quantification, and emission factors from PTR-ToF during the FIREX 2016 laboratory experiment

Non-methane organic gas emissions from biomass burning: identification, quantification, and emission factors from PTR-ToF during the FIREX 2016 laboratory experiment

Non-methane organic gas emissions from biomass burning: identification, quantification, and emission factors from PTR-ToF during the FIREX 2016 laboratory experiment

Identification and quantification of VOCs by proton transfer reaction time of flight mass spectrometry: An experimental workflow for the optimization of specificity, sensitivity, and accuracy

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Evaluation of NO<sup>+</sup> reagent ion chemistry for online measurements of atmospheric volatile organic compounds