RT Journal Article
T1 Combination of different chromatographic and sampling modes for high-resolution mass spectrometric screening of organic microcontaminants in water
A1 Castro Bustelo, Verónica
A1 Quintana Álvarez, José Benito
A1 Carpinteiro Botana, María Inmaculada
A1 Cobas, Julio
A1 Carro Mariño, Nieves
A1 Cela Torrijos, Rafael
A1 Rodil Rodríguez, María del Rosario
K1 Supercritical fluid chromatography (SFC)
K1 Quadrupole-time-of-flight (QTOF)
K1 Passive sampling
K1 Contaminants of emerging concern (CECs)
K1 Surface water
K1 Liquid chromatography
AB 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 liquid chromatography (HILIC), mixed-mode liquid chromatography (MMLC) and supercritical fluid chromatography (SFC)) for high-resolution mass spectrometry (HRMS) screening of organic pollutants in water samples. To this end, a suspect screening approach, using iterative data-dependent tandem mass spectrometry (MS/MS) driven by a library of 3227 chemicals (including pharmaceuticals, pesticides, drugs of abuse, human metabolites, industrial chemicals and other pollutants), was employed. Results show that POCIS can afford a larger number of positive identifications as compared to spot sampling. On the other hand, the best suited retention mechanisms, in terms of identified analytes, are SFC, and followed by RPLC, MMLC and HILIC. However, the best combination (POCIS + SFC) would only allow the identification of 67% of the detected analytes. Thus, the combination of the two sampling strategies, spot and passive sampling, with two orthogonal retention mechanisms, RPLC and SFC, is proposed in order to maximize the number of analytes detected (89%). This strategy was applied to different surface water (river and estuary) samples from Galicia (NW Spain). A total of 155 compounds were detected at a confidence level 2a, from which the major class was pharmaceuticals (61%).
PB Springer Nature
SN 1618-2642
YR 2021
FD 2021
LK http://hdl.handle.net/10347/27003
UL http://hdl.handle.net/10347/27003
LA eng
NO V. Castro et al. Analytical and Bioanalytical Chemistry, 2021, 413, 5607-5618
NO This research was funded by Xunta de Galicia (ED431C2017/36 and V.C. predoctoral contract: ED481A-2017/156), the Spanish Agencia Estatal de Investigación (ref. CTM2017-84763-C3-R-2 and CTM2017-90980-REDT) and FEDER/ERDF funds. This research has been co-financed by the European Regional Development Fund through the Interreg V-A Spain-Portugal Programme (POCTEP) 2014-2020 (ref. 0725_NOR_WATER_1_P). It only reflects the author’s view; thus, Programme authorities are not liable for any use that may be made of the information contained therein.
DS Minerva
RD 24 abr 2026