Use of an accurate-mass database for the systematic identification of transformation products of organic contaminants in wastewater effluents

Dublin Core

Title

Use of an accurate-mass database for the systematic identification of transformation products of organic contaminants in wastewater effluents

Subject

AGUAS RESIDUALES
CONTAMINACION DEL AGUA
BIBLIOGRAFIA NACIONAL QUIMICA
2011

Abstract

In this article, a systematic approach is proposed to assist and simplify the identification of transformation products (TPs) of organic contaminants. This approach is based on the use of characteristic fragmentation undergone by organic contaminants during MS/MS fragmentation events, and the relationship and consistency with the transformations experimented by these chemicals in the environment or during water treatment processes. With this in mind, a database containing accurate-mass information of 147 compounds and their main fragments generated by CID MS/MS fragmentation experiments was created using an LC–QTOF-MS/MS system. The developed database was applied to the identification of tentative TPs and related unexpected compounds in eight wastewater effluent samples. The approach comprises basically three stages: (a) automatic screening, (b) identification of possible TPs and (c) confirmation by MS/MS analysis. Parameters related to the search of compounds in the database have been optimized and their dependence with the exhaustiveness of the study evaluated. Eight degradation products, from the pharmaceuticals acetaminophen, amoxicillin, carbamazepine, erythromycin and azithromycin and from the pesticide diazinon, were identified with a high grade of accuracy. Three of them were confirmed by analysis of the corresponding analytical standards.

Creator

Gomez Ramos, M. D. M.
García Reyes, Juan F.
Fernandez-Alba, A. R.
Agüera A.

Source

Journal of Chromatography A v. 1218, no. 44, 2011. -- p. 8002-8012

Publisher

Elsevier

Date

2011

Rights

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Format

PDF

Language

Inglés

Type

Artículo

Identifier

doi:10.1016/j.chroma.2011.09.003
Date Added
August 29, 2013
Collection
Bibliografía Nacional Química
Item Type
Document
Tags
,
Citation
Gomez Ramos, M. D. M. et al., “Use of an accurate-mass database for the systematic identification of transformation products of organic contaminants in wastewater effluents,” RIQUIM - Repositorio Institucional de la Facultad de Química - UdelaR, accessed December 16, 2025, https://riquim.fq.edu.uy/items/show/841.