Combination of different chromatographic and sampling modes for high-resolution mass spectrometric screening of organic microcontaminants in water

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چکیده

This study explores the combination of two sampling strategies (polar organic compounds integrative sampler (POCIS) vs. spot sampling) and four chromatographic retention modes (reversed-phase liquid chromatography (RPLC), hydrophilic interaction (HILIC), mixed-mode (MMLC) supercritical fluid (SFC)) for high-resolution mass spectrometry (HRMS) screening pollutants in water samples. To this end, a suspect approach, using iterative data-dependent tandem (MS/MS) driven by library 3227 chemicals (including pharmaceuticals, pesticides, drugs abuse, human metabolites, industrial other pollutants), was employed. Results show that POCIS can afford larger number positive identifications as compared to sampling. On hand, best suited mechanisms, terms identified analytes, are SFC, followed RPLC, MMLC HILIC. However, (POCIS + SFC) would only allow identification 67% detected analytes. Thus, strategies, passive sampling, with orthogonal RPLC is proposed order maximize analytes (89%). strategy applied different surface (river estuary) samples from Galicia (NW Spain). A total 155 were at confidence level 2a, which major class pharmaceuticals (61%).

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ژورنال

عنوان ژورنال: Analytical and Bioanalytical Chemistry

سال: 2021

ISSN: ['1618-2642', '1618-2650']

DOI: https://doi.org/10.1007/s00216-021-03226-6