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Fragmentation Analysis of α-Pinene Oxidation Products Using High-Resolution Collision-Induced Dissociation Mass
Daisuke Fukuyama1, Raku Irie1, Kanako Sekimoto1
1Graduate School of Nanobioscience, Yokohama City University, 22-2 Seto, Kanazawa-ku, Yokohama 236-0027, Japan.
None:
Monoterpenes are oxidized in the atmosphere, forming highly oxygenated organic molecules as key precursors for secondary organic aerosols. The resulting oxidation products are well-known to have a large number of structural isomers with multiple oxygen-containing functional groups. However, the precise structures and functionalities of most isomers remain unidentified. In this study, we developed an online analytical method for indicating the presence of oxygen-containing functional groups (carboxyl, hydroxyl, hydroperoxyl, and carbonyl groups) included in gas-phase monoterpene oxidation products. This approach utilizes high-resolution collision-induced dissociation mass spectrometry (HR-CID-MS) in combination with an ambient ionization technique based on atmospheric pressure chemical ionization. We established a relationship between oxygen-containing functional groups and neutral loss observed in the CID spectra of (de)protonated α-pinene oxidation products. The method was applied to α-pinene ozonolysis products, successfully predicting functional groups in known compounds and enabling the characterization of previously unreported ozonolysis products.
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