title: An electrospray ionization-tandem mass spectrometry method for identifying chlorinated drinking water disinfection byproducts.
abstract: Identification of chlorinated drinking water disinfection byproducts (DBPs) was investigated by using electrospray ionization-mass spectrometry/mass spectrometry (ESI-MS/MS). Chlorine-containing compounds were found to form chloride ion fragments by MS/MS, which can be used as a 'fingerprint' for chlorinated DBPs. Instrumental parameters that affect the formation of chloride ions by ESI-MS/MS were examined, and appropriate conditions for use in finding specific structural information were evaluated. The results show that maximizing the formation of chloride ions by MS/MS required a relatively high collision energy and collision gas pressure; also, limiting the scan range to m/z 30-40 allowed improved sensitivity for detection; but obtaining structural information required the use of lower collision energies. The conditions obtained were demonstrated to be effective in identifying chlorinated DBPs in a standard sample with relatively low concentrations of each component and in a chlorinated humic substance sample. Sample pretreatment techniques including ultrafiltration and size exclusion chromatography appeared to be helpful for identifying highly polar or high molecular weight chlorine-containing DBPs by ESI-MS/MS.
authors.affiliation: Department of Civil and Environmental Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA. xzhang1@nd.edu
authors.forename: Xiangru
authors.initials: X
authors.lastname: Zhang
authors.forename: Roger A
authors.initials: RA
authors.lastname: Minear
authors.forename: Yingbo
authors.initials: Y
authors.lastname: Guo
authors.forename: Cordelia J
authors.initials: CJ
authors.lastname: Hwang
authors.forename: Sylvia E
authors.initials: SE
authors.lastname: Barrett
authors.forename: Kazuhiro
authors.initials: K
authors.lastname: Ikeda
authors.forename: Yoshihisa
authors.initials: Y
authors.lastname: Shimizu
authors.forename: Saburo
authors.initials: S
authors.lastname: Matsui
mesh_terms: D002713:Chlorine; D017606:Chlorine Compounds / Q000032:analysis*; D002850:Chromatography, Gel; D004203:Disinfection; D004784:Environmental Monitoring; D007477:Ions; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D018508:Water Purification
chemical_list: D017606:Chlorine Compounds; D007477:Ions; D002713:Chlorine