FT-ICR mass spectrometry for molecular characterization of water-insoluble organic compounds in winter atmospheric fine particulate matters

Jiping Chen , Cuiping Ning , Yuan Gao , Haoran Yu , Haijun Zhang , Ningbo Geng , Rong Cao


Received September 05, 2020,Revised , Accepted December 12, 2020, Available online March 19, 2021

Volume 34,2022,Pages 51-60

Water-insoluble organic compounds (WIOCs) are an important fraction of atmospheric fine particulate matters (PM2.5), which could affect the climate system and threaten human health potentially. In this study, molecular characterization of WIOCs in PM2.5 were investigated by 15 T Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) with atmospheric pressure photoionization (APPI) source in positive ion mode. A total of 2573 and 1875 molecular formulas were identified in WIOCs extracted by dichloromethane, which were collected in hazy and normal days, respectively. The identified molecular formulas were further classified into four major subgroups, including CH, CHN, CHO and CHNO compounds. CHO compounds predominated in WIOCs, accounting for more than 60% in both samples. CHNO compounds (26.6%) and CH compounds (16.1%) were the second highest subgroups in WIOCs from the hazy days and normal days, respectively. The relative abundance and number of nitro-substituted aromatic compounds were significantly higher in hazy days than in normal days. The molecular composition of WIOCs was more complex in hazy days while more aromatic compounds were identified in normal days.

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