Product ion distributions using H3O+ proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS): mechanisms, transmission effects, and instrument-to-instrument variability DOI Creative Commons
Michael F. Link, Megan S. Claflin, Christina E. Cecelski

et al.

Atmospheric measurement techniques, Journal Year: 2025, Volume and Issue: 18(4), P. 1013 - 1038

Published: Feb. 27, 2025

Abstract. Proton-transfer-reaction mass spectrometry (PTR-MS) using hydronium ion (H3O+) ionization is widely used for the measurement of volatile organic compounds (VOCs) both indoors and outdoors. H3O+ ionization, as well associated chemistry in an ion–molecule reactor, known to generate product distributions (PIDs) that include other ions besides proton-transfer product. We present a method, gas-chromatography pre-separation, quantifying PIDs from PTR-MS measurements nearly 100 VOCs different functional types including alcohols, ketones, aldehydes, acids, aromatics, organohalides, alkenes. characterize instrument configuration effects on find reactor reduced electric field strength (E/N), optic voltage gradients, quadrupole settings have strongest impact measured PIDs. Through interlaboratory comparison calibration cylinders, we characterized variability PID production same model across seven participating laboratories. Product was generally smaller (e.g., < 20 %) with larger contributions > 0.30) but less predictable formed through O2+ NO+ reactions. publicly available library will be updated periodically user-provided data continued investigation into instrument-to-instrument

Language: Английский

Product ion distributions using H3O+ proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS): mechanisms, transmission effects, and instrument-to-instrument variability DOI Creative Commons
Michael F. Link, Megan S. Claflin, Christina E. Cecelski

et al.

Atmospheric measurement techniques, Journal Year: 2025, Volume and Issue: 18(4), P. 1013 - 1038

Published: Feb. 27, 2025

Abstract. Proton-transfer-reaction mass spectrometry (PTR-MS) using hydronium ion (H3O+) ionization is widely used for the measurement of volatile organic compounds (VOCs) both indoors and outdoors. H3O+ ionization, as well associated chemistry in an ion–molecule reactor, known to generate product distributions (PIDs) that include other ions besides proton-transfer product. We present a method, gas-chromatography pre-separation, quantifying PIDs from PTR-MS measurements nearly 100 VOCs different functional types including alcohols, ketones, aldehydes, acids, aromatics, organohalides, alkenes. characterize instrument configuration effects on find reactor reduced electric field strength (E/N), optic voltage gradients, quadrupole settings have strongest impact measured PIDs. Through interlaboratory comparison calibration cylinders, we characterized variability PID production same model across seven participating laboratories. Product was generally smaller (e.g., < 20 %) with larger contributions > 0.30) but less predictable formed through O2+ NO+ reactions. publicly available library will be updated periodically user-provided data continued investigation into instrument-to-instrument

Language: Английский

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