IDA and SWATH as non-target acquisition techniques to identify pharmaceuticals in complex environmental matrices
The utilization of non-target screening provides the opportunity to expand the knowledge on lowmolecular-weight organic pollutants present in environmental matrices through suspected or nontarget screening. However, one of the pending issues that still remains is the number of compounds properly identified (with some fragment ions). To solve this problem, new instrumental acquisition methods are being developed. In this study, liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QqTOF-MS) using suspected screening have been applied to mussels (Mytilus galloprovincialis) and riverine sediments of the Turia River Basin, in Eastern Spain. The extraction of the sediment was carried out by ultrasound assisted extraction (UAE) with McIlvaine buffer (pH 5.4) and methanol. Then, extracts were cleaned up by solid phase extraction (SPE) with StrataTMX cartridges and retained analytes were eluted using methanoldichloromethane. In the case of mussels QuEChERS was selected as extraction procedure using a mixture of Acetonitrile, water, MgSO4, NaCl, 2Na2C6H6O7 and C6H9Na3O9. After extraction, the supernatant was cleaned up using dispersive solid-phase extraction. A mixture of 36 pharmaceuticals was selected to spike the samples in order to properly evaluated the different working modes- Sensitive and selective liquid chromatography¿mass spectrometry (LC¿MS) analysis is a powerful and essential tool for contaminant identification in environmental studies. An MS2 (or tandem, MS/MS) mass spectrum is acquired from the fragmentation of a precursor ion by information-dependent acquisition (IDA) and MS/MSALL mass spectrum acquired with SWATH (sequential window acquisition of all theoretical fragment-ion spectra). We compared these two techniques in their capabilities to produce comprehensive MS2 data by assessing both contaminant MS2 acquisition hit rate and the quality of MS2 spectra, also the difference between use fix window SWATH (FSWATH) and variable window SWATH (VSWATH) were also studied. Both SWATH methods were able to identify a higher number of compounds in all the analyzed samples than IDA. However, FSWATH provides slightly better information than VSWATH. On the other hand, the useless spectral information (coming from background noise and interferent peaks) is higher using SWATH modes. This multiplies the time spent to process the data of the chromatogram. The method used is suitable to detect different emergent pollutants in biotic and abiotic matrices as river sediment and mussels showing interesting prospects within the field.
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| Format: | póster de congreso biblioteca |
| Language: | English |
| Published: |
2018-10-02
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| Online Access: | http://hdl.handle.net/10261/184098 http://dx.doi.org/10.13039/501100003329 http://dx.doi.org/10.13039/501100000780 |
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