Development of suspect and non-target screening methods for detection of organic contaminants in highway runoff and fish tissue with high-resolution time-of-flight mass spectrometry.

摘要: Untreated urban stormwater runoff contributes to poor water quality in receiving waters. The ability identify toxicants and other bioactive molecules responsible for observed adverse effects a complex mixture of contaminants is critical effective protection ecosystem human health, yet this challenging analytical task. objective study was develop methods using liquid chromatography coupled high-resolution quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) detect organic highway runoff-exposed fish (adult coho salmon, Oncorhynchus kisutch). Processing paired tissue samples facilitated contaminant prioritization aided investigation chemical bioavailability uptake processes. Simple, minimal processing effort solid phase extraction (SPE) elution procedures were optimized samples, selective pressurized (SPLE) tissues. Extraction compared by detection non-target features target compounds (e.g., quantity peak area), while minimizing matrix interferences. Suspect screening techniques utilized in-house commercial databases prioritize high-risk detections subsequent MS/MS characterization identification efforts. Presumptive annotations also screened with an linear regression (log Kowvs. retention time) exclude isobaric compounds. Examples confirmed identifications (via reference standard comparison) include ethoprophos, prometon, DEET, caffeine, cotinine, 4(or 5)-methyl-1H-methylbenzotriazole, acetanilide. Acetanilide detected gill liver samples. Further tissues (14 19 compounds, respectively tentative data) suggests that many novel or poorly characterized exist exposed biota.