US EPA

3981335 

Journal Article 

Rapid screening and identification of chemical hazards in surface and drinking water using high resolution mass spectrometry and a case-control filter 

Kaserzon, SL; Heffernan, AL; Thompson, K; Mueller, JF; Gomez Ramos, MJ 

2017 

Yes 

Chemosphere
ISSN: 0045-6535
EISSN: 1879-1298 

182 

656-664 

English 

28528311 

10.1016/j.chemosphere.2017.05.071 

WOS:000403991700079 

Access to clean, safe drinking water poses a serious challenge to regulators, and requires analytical strategies capable of rapid screening and identification of potentially hazardous chemicals, specifically in situations when threats to water quality or security require rapid investigations and potential response. This study describes a fast and efficient chemical hazard screening strategy for characterising trace levels of polar organic contaminants in water matrices, based on liquid chromatography high resolution mass spectrometry with post-acquisition 'case-control' data processing. This method allowed for a rapid response time of less than 24 h for the screening of target, suspect and non-target unknown chemicals via direct injection analysis, and a second, more sensitive analysis option requiring sample pre-concentration. The method was validated by fortifying samples with a range of pesticides, pharmaceuticals and personal care products (n = 46); with >90% of target compounds positively screened in samples at 1 ng mL(-1), and 46% at 0.1 ng mL(-1) when analysed via direct injection. To simulate a contamination event samples were fortified with compounds not present in the commercial library (designated 'non-target compounds'; fipronil and fenitrothion), tentatively identified at 0.2 and 1 ng mL(-1), respectively; and a compound not included in any known commercial library or public database (designated 'unknown' compounds; 8Cl(-) perfluorooctanesulfonic acid), at 0.8 ng mL(-1). The method was applied to two 'real-case' scenarios: (1) the assessment of drinking water safety during a high-profile event in Brisbane, Australia; and (2) to screen treated, re-circulated drinking water and pre-treated (raw) water. The validated workflow was effective for rapid prioritisation and screening of suspect and non-target potential hazards at trace levels, and could be applied to a wide range of matrices and investigations where comparison of organic contaminants between an affected and control site and or timeframe is warranted. 

suspect screening; water monitoring; LC-QTOF; data reduction strategy; hazard identification