Parallel secondary electrospray ionisation mass spectrometry and selected ion flow tube mass spectrometry quantification of trace amounts of volatile ketones

Som, Suman; Kubišta, Jiřı́; Dryahina, Kseniya; Španěl, Patrik

doi:10.1002/rcm.8981

Cited by 4 publications

(3 citation statements)

References 9 publications

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“…In another study of trace vapor analyses of three ketones (2-pentanone, 2-hexanone and 2-heptanone), the parallel quantitative analysis by SIFT-MS and SESI-MS was performed to improve the understanding of the quantitative aspects of SESI. 373 The results showed that the sensitivity of SESI-MS was much higher than that of SIFT-MS and thus it can be used for real-time monitoring of much lower concentrations of volatile organic compounds in various areas.…”

Section: Instrumental Analytical Methodsmentioning

confidence: 99%

Analytical methods for the analysis of volatile natural products

2023

Nat. Prod. Rep.

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Section: Instrumental Analytical Methodsmentioning

confidence: 99%

Analytical methods for the analysis of volatile natural products

2023

Nat. Prod. Rep.

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“…In SESI-MS, trace VOCs in a sample gas are ionized at atmospheric pressure when exposed to the SESI ion source and the analyte ions are detected by a mass spectrometer. For the present study, a bespoke SESI source was coupled to a commercial ion-trap mass spectrometer. , The electrospray was pneumatically supplied (approximately 500 mbar overpressure of air) with 0.1% formic acid (98%; Sigma-Aldrich) solution in pure water from a reservoir to which a high voltage (+5 kV) was applied by platinum wire. Again, the salmon headspace was sampled using a needle to puncture the container and the sample was introduced directly into the reaction chamber.…”

Section: Methodsmentioning

confidence: 99%

Mass Spectrometric Quantification of Volatile Compounds Released by Fresh Atlantic Salmon Stored at 4 °C under Modified Atmosphere Packaging and Vacuum Packaging for up to 16 Days

Dalsvåg

Cropotova

Jambrak

et al. 2021

ACS Food Sci. Technol.

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Atlantic salmon is rich in bioactive proteins, antioxidants, vitamins, and omega-3 fatty acids, making it a rich source of essential nutrients. However, it is highly susceptible to biochemical, physicochemical, and microbial spoilage. The aim of this study was to use natural oregano and dill antioxidant extracts in combination with modified atmosphere packaging (MAP) (CO2:N2 60:40) to retain the quality and delay lipid oxidation in Atlantic salmon (Salmo salar) during storage. Extract-treated samples and controls (both vacuum packed and in MAP) were stored under chilled conditions (4 ± 1 °C) for 0–16 days. Quality changes during storage were assessed in terms of drip loss, microbial growth, color, pH, protein solubility, and lipid oxidation. Primary and secondary lipid oxidation products were determined by means of peroxide value and TBARS. In parallel, volatile compounds were analyzed using GC-MS, SIFT-MS and SESI-MS. GC-MS indicated 29 recognizable VOCs present in the headspace of the salmon samples. SIFT-MS quantification was carried out for ammonia and 33 VOCs, including alcohols, several aldehydes, carboxylic acids, sulfur compounds, trimethylamine, and ammonia. While dill or oregano treatment reduced lipid oxidation after 16 days of storage, it did not affect VOC concentrations significantly. The study has revealed that changes of the measured concentration of volatiles with storage time could be used to monitor freshness and spoilage of the fish while observing the effect of natural antioxidants.

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“…Ion molecule reactions of the type AB + + M → AM + + B are usually classified as ligand switching reactions. − This process is frequently observed in atmospheric and near-atmospheric pressure humid air in which the cation composition is dominated by hydrated (cluster) cations, for example Such reactions govern the ion chemistry important for chemical ionization in the analytical techniques of secondary electrospray ionization mass spectrometry (SESI-MS) − and ion mobility spectrometry (IMS). − There have been few studies of these reactions considering their dominance in the above systems. ,, One notable study involving H 3 O + H 2 O (1,2,3) reactions was performed more than two decades ago, which showed switching occurred rapidly between these H 3 O + hydrates and oxygen-bearing polar organic molecules, A, such as alcohols, aldehydes, carboxylic acids, and ketones, but such reactions are very slow for hydrocarbons.…”

Section: Introductionmentioning

confidence: 99%

Ligand Switching Ion Chemistry: An SIFDT Case Study of the Primary and Secondary Reactions of Protonated Acetic Acid Hydrates with Acetone

Spesyvyi

Lacko

Dryahina

et al. 2021

J. Am. Soc. Mass Spectrom.

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A study was performed of the reactions of protonated acetic acid hydrates, CH3COOHH+(H2O) n , with acetone molecules, CH3COCH3, using a selected ion flow-drift tube (SIFDT). The rationale for this study is that hydrated protonated organic molecules are major product ions in secondary electrospray ionization mass spectrometry (SESI-MS) and ion mobility spectrometry (IMS). Yet the formation and reactivity of these hydrates are only poorly understood, and kinetics data are only sparse. The existing SIFDT instrument in our laboratory was upgraded to include an octupole ion guide and a separate drift tube by which hydrated protonated ions can be selectively injected into the drift tube reactor and their reactions with molecules studied under controlled conditions. This case study shows that, in these hydrated ion reactions with acetone molecules, the dominant reaction process is ligand switching producing mostly proton-bound dimer ions (CH3COCH3)H+(CH3COOH), with minor branching into (CH3COCH3)H+(H2O). This switching reaction was observed to proceed at the collisional rate, while other studied hydrated ions reacted more slowly. An attempt is made to understand the reaction mechanisms and the structures of the reaction intermediate ions at the molecular level. Secondary switching reactions of the asymmetric proton-bound dimer ions lead to a formation of strongly bound symmetrical dimers (CH3COCH3)2H+, the terminating ion in this ion chemistry. These results strongly suggest that, in SESI-MS and IMS, the presence of a polar compound, like acetone in exhaled breath, can suppress the analyte ions of low concentration compounds like acetic acid thus compromising their quantification.

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Parallel secondary electrospray ionisation mass spectrometry and selected ion flow tube mass spectrometry quantification of trace amounts of volatile ketones

Cited by 4 publications

References 9 publications

Analytical methods for the analysis of volatile natural products

Analytical methods for the analysis of volatile natural products

Mass Spectrometric Quantification of Volatile Compounds Released by Fresh Atlantic Salmon Stored at 4 °C under Modified Atmosphere Packaging and Vacuum Packaging for up to 16 Days

Ligand Switching Ion Chemistry: An SIFDT Case Study of the Primary and Secondary Reactions of Protonated Acetic Acid Hydrates with Acetone

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