Volatile compounds released by Nalophan, implications for selected ion flow tube mass spectrometry and other chemical ionisation mass spectrometry analytical methods

0531440 - ÚFCH JH 2021 RIV GB eng J - Článek v odborném periodiku
Brůhová Michalčíková, Regina - Dryahina, Kseniya - Smith, D. - Španěl, Patrik
Volatile compounds released by Nalophan, implications for selected ion flow tube mass spectrometry and other chemical ionisation mass spectrometry analytical methods.
Rapid Communications in Mass Spectrometry. Roč. 34, č. 5 (2020), č. článku e8602. ISSN 0951-4198. E-ISSN 1097-0231
Grant CEP: GA ČR(CZ) GA18-12902S
Institucionální podpora: RVO:61388955
Klíčová slova: solid-phase microextraction * trace gas-analysis * organic-compounds * breath analysis * exhaled breath * sift-ms * tedlar bags * air * sample * suitability
Obor OECD: Physical chemistry
Impakt faktor: 2.419, rok: 2020
Způsob publikování: Omezený přístup

Rationale: Nalophan bags are commonly used to collect breath samples for volatile metabolite analysis. Volatile organic compounds (VOCs) released from the polymer can, however, be mistaken as breath metabolites when analyses are performed by selected ion flow tube mass spectrometry, SIFT-MS, or techniques that depend on a proper understanding of ion chemistry.

Methods: Three analytical techniques were used to analyse the VOCs released into the nitrogen used to expand Nalophan bags, viz. gas chromatography/mass spectrometry (GC/MS), secondary electrospray ionization mass spectrometry (SESI-MS) and selected ion flow tube mass spectrometry (SIFT-MS). The most significant VOCs were identified and quantified by SIFT-MS as a function of storage time, temperature and humidity.

Results: The consistent results obtained by these three analytical methods identify 1,2-ethanediol (ethylene glycol) and 2-methyl-1,3-dioxolane as the major VOCs released by the Nalophan. Their concentrations are enhanced by increasing the bag storage temperature and time, reaching 170 parts-per-billion by volume (ppbv) for ethylene glycol and 34 ppbv for 2-methyl-1,3-dioxolane in humid nitrogen (absolute humidity of 5%) contained in an 8-L Nalophan bag stored at 37 degrees C for 160 min.

Conclusions: Using H3O+ reagent ions for SIFT-MS and SESI-MS analyses, the following analyte ions (m/z values) are affected by the Nalophan impurities: 45, 63, 81, 89 and 99, which can compromise analyses of acetaldehyde, ethylene glycol, monoterpenes, acetoin, butyric acid, hexanal and heptane.
Trvalý link: http://hdl.handle.net/11104/0310106