Advanced molecular-fingerprinting analysis of dissolved organic sulfur by electrospray ionization-Fourier transform ion cyclotron resonance mass spectrometry using optimal spray solvent

作     者：Dong Cao Ziyu Rao Fanglan Geng Hongyun Niu Yali Shi Yaqi Cai Yuehui Kang Dong Cao;Ziyu Rao;Fanglan Geng;Hongyun Niu;Yali Shi;Yaqi Cai;Yuehui Kang

作者机构：State Key Laboratory of Environmental Chemistry and EcotoxicologyResearch Center for Eco-Environmental ScienceChinese Academy of SciencesBeijing 100085China 

出 版 物：《Journal of Environmental Sciences》 (环境科学学报（英文版）)

年 卷 期：2020年第32卷第11期

页      面：67-74页

核心收录：

学科分类：0830[工学-环境科学与工程（可授工学、理学、农学学位）] 083001[工学-环境科学] 08[工学] 

基　　金：supported by the National Basic Research Pro-gram of China(973)(No.2014CB441102) the National Nat-ural Science Foundation of China(Nos.21537004,21477140,21007079) the grants from the Instrument Function De-velopment Program of the Chinese Academy of Sciences 

主　　题：Natural organic matter Fourier transform ion cyclotron resonance mass spectrometry Spray solvent Dissolved organic sulfur 

摘      要：Molecular level characterization of dissolved organic sulfur(DOS)by electrospray ionizationFourier transform ion cyclotron resonance mass spectrometry(ESI-FTICR MS)is necessary for further understanding of the role of DOS in the ***,ESI spray solvent,a key parameter for ion production during ESI process,was investigated for its effect on the molecular characterization of DOS by ESI-FTICR MS.100%MeOH as spray solvent was found for the first time to remarkably enhance the ionization efficiency of the majority of CHOS-molecules in NOM,which facilitated a total of 1473 CHOS-molecular formulas with one sulfur atom to be *** number of CHOS-molecular formulas obtained using 100%MeOH as spray solvent increased notably over 740 in comparison with those using 50%MeOH aqueous solution(731)or 50%ACN aqueous solution(653).Moreover,due to the enhancement of ionization efficiency of DOS during ESI processes,the tandem mass spectra of the NOM CHOS-molecules could be easily obtained using 100%MeOH as spray solvent,which were hardly obtained using 50%MeOH aqueous solution as spray *** results of the tandem mass spectra suggested the first discovery of organosulfates or sulfonic acids in Suwannee River NOM sample.A simple method based on 100%MeOH as ESI spray solvent for advanced molecular characterization of DOS by ESI-FTICR MS was proposed and applied,and the results revealed more molecular information of DOS in sea DOM samples.