Employing complementary multivariate methods for a designed nontarget LC-HRMS screening of a wastewater-influenced river

Reza Lotfi Khatoonabadi,Maryam Vosough,Lotta L. Hohrenk,Torsten C. Schmidt

Microchemical Journal（2021）

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摘要

•ROIMCR was utilized for LC-HRMS data in full scan mode for river water samples.•GASCA was used for a designed experiment with sampling time and location factors.•Results of GASCA and PLS-DA showed an overlapping of 80% for prioritized features.•More than two-thirds of prioritized CECs are mostly related to downstream site.

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关键词

CECs,LC-HRMS,River water,ROI-MCR-ALS,GASCA,PLS-DA

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