Suspect screening and target quantification of multi-class pharmaceuticals in surface water based on large-volume injection liquid chromatography and time-of-flight mass spectrometry.

摘要: The ever-growing number of emerging micropollutants such as pharmaceuticals requests rapid and sensitive full-spectrum analytical techniques. Time-of-flight high-resolution mass spectrometry (TOF-HRMS) is a promising alternative for the state-of-the-art tandem instruments because its ability to simultaneously screen virtually unlimited suspect analytes perform target quantification. challenge screening develop strategy, which minimizes false-negative rate without restraining numerous false-positives. At same time, omitting laborious sample enrichment through large-volume injection ultra-performance liquid chromatography (LVI-UPLC) avoids selective preconcentration. A strategy was developed using LVI-UPLC-TOF-MS aiming detection 69 multi-class in surface water priori availability standards. As novel approach, takes into account signal-intensity-dependent accurate error TOF-MS, hereby 95 % measured present water. Application on five Belgian river samples showed potential exemplified by false-positive not higher than 15 given that 30 out 37 restrained compounds were confirmed retention time Subsequently, this paper discusses validation applicability LVI-UPLC HRMS method quantification Analysis revealed occurrence 17 concentration range ng L−1 up 3.1 μg L−1.