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Ion Accumulation Time Dependent Molecular Characterization of Natural Organic Matter using ESI-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Dong Cao, Jitao Lv, Fanglan Geng, Ziyu Rao, Hongyun Niu, Yali Shi, Yaqi Cai, and Yuehui Kang Anal. Chem., Just Accepted Manuscript • DOI: 10.1021/acs.analchem.6b03198 • Publication Date (Web): 28 Nov 2016 Downloaded from http://pubs.acs.org on November 29, 2016
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Analytical Chemistry
Ion Accumulation Time Dependent Molecular Characterization of Natural Organic Matter using ESI-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry
Dong Cao a, Jitao Lv a, Fanglan Geng a, Ziyu Rao a, Hongyun Niu a, Yali Shi a, Yaqi Cai a and Yuehui Kang a*
a
State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Science, Chinese Academy of Sciences, P.O. Box 2871, 18 Shuangqing Road, Haidian district, Beijing 100085, China
*
Correspondence to: Yuehui Kang, Research Center for Eco-Environmental Science, Chinese Academy of Sciences, P.O. Box 2871, Beijing 100085, China. Tel: +86-10-62849729. Fax: +86-10-62849729. E-mail:
[email protected] Abstract:
Natural organic matter (NOM) is a complex organic mixture and plays a crucial role in environmental processes. By using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS), detailed molecular information of NOM could be achieved. In this paper, ion accumulation time (IAT), a key parameter of FT-ICR-MS for complex mixture detection, was focused on, and its effect on the molecular characterization of NOM by FT-ICR-MS was systematically investigated. A notable feature of selective detection of NOM molecules by FT-ICR-MS with different IAT was observed. Most of polar molecules with high O/C ratio (O/C ratio>0.5) could be easily detected by FT-ICR-MS with a short IAT, but extending IAT leaded to the ion intensities of these molecules decreasing or even disappearing. Meanwhile, a large number of unsaturated and aromatic molecules with low O/C ratio (O/C ratio0.4). These results indicate that a large part of the aromatic and condensed aromatic molecules with low O/C ratio in NOM could be detected by ESI-FT-ICR-MS with extending IAT. We speculate that aromatic structures and lower O/C ratio may lead the compounds to having lower polarity, which causes them low ionization efficiency in the ESI ionization process.
Conclusions
As a key parameter of FT-ICR-MS for complex mixture detection, the great effect of IAT on the molecular characterization of NOM by FT-ICR-MS is firstly reported. Most of polar molecules with high O/C ratio (O/C ratio>0.5) could be easily detected by FT-ICR-MS with a short IAT. But extending IAT could lead to the ion intensities of these molecules decreasing or even disappearing. Meanwhile, a large number of unsaturated and aromatic molecules with low O/C ratio (O/C ratio
