Ultra-fast retroactive processing by MetAlign of liquid chromatography/high-resolution full-scan Orbitrap mass spectrometry data in WADA Human Urine Sample Monitoring Program.

Rapid Communications in Mass Spectrometry : RCM
Safa KhelifiCostas Georgakopoulos

Abstract

The World Antidoping Agency (WADA) Monitoring program concentrates analytical data from the WADA Accredited Laboratories for substances which are not prohibited but whose potential misuse must be known. The WADA List of Monitoring substances is updated annually, where substances may be removed, introduced or transferred to the Prohibited List, depending on the prevalence of their use. Retroactive processing of old sample datafiles has the potential to create information for the prevalence of use of candidate substances for the Monitoring List in previous years. MetAlign is a freeware software with functionality to reduce the size of liquid chromatography (LC)/high-resolution (HR) full-scan (FS) mass spectrometry (MS) datafiles and to perform a fast search for the presence of substances in thousands of reduced datafiles. Validation was performed to the search procedure of MetAlign applied to Anti-Doping Lab Qatar (ADLQ)-screened LC/HR-FS-MS reduced datafiles originated from antidoping samples for tramadol (TRA), ecdysterone (ECDY) and the ECDY metabolite 14-desoxyecdysterone (DESECDY) of the WADA Monitoring List. Searching parameters were related to combinations of accurate masses and retention times (RTs). MetAlign search valid...Continue Reading

References

Sep 21, 2001·Rapid Communications in Mass Spectrometry : RCM·C TsitsimpikouC G Georgakopoulos
Jul 5, 2007·Rapid Communications in Mass Spectrometry : RCM·Costas G GeorgakopoulosMichalis Koupparis
Apr 5, 2011·Metabolomics : Official Journal of the Metabolomic Society·Arjen LommenHans G J Mol
Jul 27, 2012·Metabolomics : Official Journal of the Metabolomic Society·Arjen Lommen, Harrie J Kools
Jan 2, 2018·Journal of Pharmaceutical and Biomedical Analysis·Wadha AbushareedaCostas Georgakopoulos

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