PTR-MS analysis of reference and plant-emitted volatile organic compounds

Maleknia, Simin D.; Bell, Tina L.; Adams, Mark A.

doi:10.1016/j.ijms.2006.11.010

Cited by 136 publications

(141 citation statements)

References 29 publications

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“…A list of all monoterpene ions produced for each of the analysed monoterpenes is shown in Table S2 -Supplementary material. Previous PTR-MS work on monoterpenes employed quadrupole instruments, a narrow range of E/N (80-120 Td), and only four monoterpenes from this study were covered [15,17]. In contrast, we covered a wider E/N range (60-240 Td) and used PTR-ToF-MS, which allowed better resolution and analytical performance.…”

Section: Resultsmentioning

confidence: 99%

“…The most common monoterpene fragments (ions) produced when H 3 O + is used are recognized to be m/z 137, 135, 121, 119, 109, 107, 95, 93, 81, 79, 67, 57, 41 and 39 [13,15,17] (exact masses for each ion discussed in the text can be found in Table S2). However, some authors consider that standard impurity or equipment material may be the reason for some of the observed ions, but disagree on which ones [13,15].…”

Section: Resultsmentioning

confidence: 99%

“…When the PTR-ToF-MS data obtained using H 3 O + were analysed we took previously identified monoterpene ions from the literature [13,15,17], made the ion table and extracted these ions (Table S1). We also performed the peak detection with the low threshold in order to identify new peaks.…”

Section: Impurities Exclusionmentioning

confidence: 99%

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Selective reagent ion-time of flight-mass spectrometry study of six common monoterpenes

Materić

Lanza

Sulzer

et al. 2017

International Journal of Mass Spectrometry

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a b s t r a c tOne of the most common volatile organic compounds (VOCs) group is monoterpenes. Monoterpenes share the molecular formula C 10 H 16 , they are usually cyclic and have a pleasant smell. The most common monoterpenes are limonene (present in citrus fruits) and ␣-pinene (present in conifers' resin). Different monoterpenes have different chemical, biological and ecological properties thus it is experimentally very important to be able to differentiate between them in real time. Real time instruments such as Proton Transfer Reaction-Time of Flight-Mass Spectrometry (PTR-ToF-MS), offer a real time solution for monoterpene measurement but at the cost of selectivity resulting in all monoterpenes being seen at the same m/z. In this work we used Selective Reagent Ion-Time of Flight-Mass Spectrometry (SRI/PTR-ToF-MS) in order to explore the differences in ion branching when different ionizations (H 3 O + , NO + and O 2 + ) and different drift tube reduced field energies (E/N) were used. We report a comprehensive ion library with many unique features, characteristic for individual monoterpenes.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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Selective reagent ion-time of flight-mass spectrometry study of six common monoterpenes

Materić

Lanza

Sulzer

et al. 2017

International Journal of Mass Spectrometry

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“…These include α-and β-pinene, p-cymene and several C 9 aromatics (ethyltoluenes, 1,2,3-trimethylbenzene), all of which are known to produce fragment ions at m/z 93 in PTR-MS Maleknia et al, 2007;Ambrose et al, 2010;Gueneron et al, 2015). These potential interferent compounds, with the exception of p-ethyltoluene and 1,2,3-trimethylbenzene, were measured in the AT-VOC samples.…”

Section: Toluenementioning

confidence: 99%

“…There may be some residual unquantified interference with the PTR-MS toluene measurement which may vary due to contributions from the many additional monoterpene species commonly present in the atmosphere but not accounted for here (Geron et al, 2000;Maleknia et al, 2007).…”

Section: Toluenementioning

confidence: 99%

Comparison of VOC measurements made by PTR-MS, adsorbent tubes–GC-FID-MS and DNPH derivatization–HPLC during the Sydney Particle Study, 2012: a contribution to the assessment of uncertainty in routine atmospheric VOC measurements

et al. 2018

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Abstract. Understanding uncertainty is essential for utilizing atmospheric volatile organic compound (VOC) measurements in robust ways to develop atmospheric science. This study describes an inter-comparison of the VOC data, and the derived uncertainty estimates, measured with three independent techniques (PTR-MS, proton-transfer-reaction mass spectrometry; GC-FID-MS, gas chromatography with flameionization and mass spectrometric detection; and DNPH-HPLC, 2,4-dinitrophenylhydrazine derivatization followed by analysis by high-performance liquid chromatography) during routine monitoring as part of the Sydney Particle Study (SPS) campaign in 2012. Benzene, toluene, C 8 aromatics, isoprene, formaldehyde and acetaldehyde were selected for the comparison, based on objective selection criteria from the available data. Bottom-up uncertainty analyses were undertaken for each compound and each measurement system. Top-down uncertainties were quantified via the intercomparisons. In all seven comparisons, the correlations between independent measurement techniques were high with R 2 values with a median of 0.92 (range 0.75-0.98) and small root mean square of the deviations (RMSD) of the observations from the regression line with a median of 0.11 (range 0.04-0.23 ppbv). These results give a high degree of confidence that for each comparison the response of the two independent techniques is dominated by the same constituents. The slope and intercept as determined by reduced major axis (RMA) regression gives a different story. The slopes varied considerably with a median of 1.25 and a range of 1.16-2.01. The intercepts varied with a median of 0.04 and a range of −0.03 to 0.31 ppbv. An ideal comparison would give a slope of 1.00 and an intercept of 0.Some sources of uncertainty that are poorly quantified by the bottom-up uncertainty analysis method were identified, including: contributions of non-target compounds to the measurement of the target compound for benzene, toluene and isoprene by PTR-MS as well as the under-reporting of formaldehyde, acetaldehyde and acetone by the DNPH technique. As well as these, this study has identified a specific interference of liquid water with acetone measurements by the DNPH technique.These relationships reported for Sydney 2012 were incorporated into a larger analysis with 61 similar published inter-comparison studies for the same compounds. Overall, for the light aromatics, isoprene and the C 1 -C 3 carbonyls, the uncertainty in a set of measurements varies by a factor of between 1.5 and 2. These uncertainties (∼ 50 %) are significantly higher than uncertainties estimated using standard propagation of error methods, which in this case were ∼ 22 % or less, and are the result of the presence of poorly understood or neglected processes that affect the measurement and its uncertainty. The uncertainties in VOC measurements identified here should be considered when assessing the reliability of VOC measurements from routine monitoring with individual, stand-alone instruments; when utilizing VOC da...

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Productivity Contribution of Paleozoic Woodlands to the Formation of Shale‐Hosted Massive Sulfide Deposits in the Iberian Pyrite Belt (Tharsis, Spain)

et al. 2018

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The geological materials produced during catastrophic and destructive events are an essential source of paleobiological knowledge. The paleobiological information recorded by such events can be rich in information on the size, diversity, and structure of paleocommunities. In this regard, the geobiological study of late Devonian organic matter sampled in Tharsis (Iberian Pyrite Belt) provided some new insights into a Paleozoic woodland community, which was recorded as massive sulfides and black shale deposits affected by a catastrophic event. Sample analysis using TOF‐SIMS (Time of Flight Secondary Ion Mass Spectrometer), and complemented by GC/MS (Gas Chromatrograph/Mass Spectrometer) identified organic compounds showing a very distinct distribution in the rock. While phytochemical compounds occur homogeneously in the sample matrix that is composed of black shale, the microbial‐derived organics are more abundant in the sulfide nodules. The cooccurrence of sulfur bacteria compounds and the overwhelming presence of phytochemicals provide support for the hypothesis that the formation of the massive sulfides resulted from a high rate of vegetal debris production and its oxidation through sulfate reduction under suboxic to anoxic conditions. A continuous supply of iron from hydrothermal activity coupled with microbial activity was strictly necessary to produce this massive orebody. A rough estimate of the woodland biomass was made possible by accounting for the microbial sulfur production activity recorded in the metallic sulfide. As a result, the biomass size of the late Devonian woodland community was comparable to modern woodlands like the Amazon or Congo rainforests.

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PTR-MS analysis of reference and plant-emitted volatile organic compounds

Cited by 136 publications

References 29 publications

Selective reagent ion-time of flight-mass spectrometry study of six common monoterpenes

Selective reagent ion-time of flight-mass spectrometry study of six common monoterpenes

Comparison of VOC measurements made by PTR-MS, adsorbent tubes–GC-FID-MS and DNPH derivatization–HPLC during the Sydney Particle Study, 2012: a contribution to the assessment of uncertainty in routine atmospheric VOC measurements

Productivity Contribution of Paleozoic Woodlands to the Formation of Shale‐Hosted Massive Sulfide Deposits in the Iberian Pyrite Belt (Tharsis, Spain)

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