Title
Identification strategies for flame retardants employing time-of-flight mass spectrometric detectors along with spectral and spectra-less databases Identification strategies for flame retardants employing time-of-flight mass spectrometric detectors along with spectral and spectra-less databases
Author
Faculty/Department
Faculty of Pharmaceutical, Biomedical and Veterinary Sciences. Pharmacy
Publication type
article
Publication
Chichester ,
Subject
Chemistry
Biology
Source (journal)
Journal of mass spectrometry. - Chichester
Volume/pages
50(2015) :8 , p. 1031-1038
ISSN
1076-5174
ISI
000362598500009
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
In the past, the preferred strategy for the identification of unknown compounds was to search in an appropriate mass spectral database for spectra obtained using either electron ionisation (GC-MS analyses) or collision-induced dissociation (LC-MS/MS analyses). Recently, an increase has been seen in the use of accurate mass instruments and spectra-less databases, based on monoisotopic accurate mass alone. In this article, we describe a systematic workflow for the screening and identification of new flame retardants. This approach utilises LC-quadrupole-time-of-flight MS and spectra-less databases based only on monoisotopic accurate mass for the identification of 'unknowns'. An in-house database was built, and the input parameters used in the data analysis process were optimised for flame retardant chemicals, so that it can be easily transferred to other laboratories. The procedure was successfully applied to dust, foam and textiles from car interiors and indoor consumer products. The developed method was demonstrated for the main new flame retardant present in Antiblaze V6 and for the three unreported reaction by-products/impurities present in the same technical mixture. Copyright (C) 2015 John Wiley & Sons, Ltd.
https://repository.uantwerpen.be/docman/irua/480cb3/10926.pdf
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https://repository.uantwerpen.be/docman/iruaauth/d6c06c/128786.pdf
Full text (open access)
https://repository.uantwerpen.be/docman/irua/339ea2/128786_2016_08_01.pdf
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