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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 ( IF 2 ) Pub Date : 2021-06-09 , DOI: 10.1002/rcm.9141
Safa Khelifi 1 , Khadija Saad 1 , Ariadni Vonaparti 1 , Souhila Mahieddine 1 , Sofia Salama 1 , Amal Saleh 1 , Maryam Al-Mohannadi 1 , Hussain Al-Thaiban 1 , Arjen Lommen 2 , Peter Horvatovich 3 , Alka Beotra 1 , Wadha Abushareeda 1 , Mohammed Al Maadheed 1 , Costas Georgakopoulos 1
Affiliation  

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.

中文翻译:

在 WADA 人类尿液样本监测计划中,MetAlign 对液相色谱/高分辨率全扫描 Orbitrap 质谱数据进行超快速追溯处理

世界反兴奋剂机构 (WADA) 监测计划集中了来自 WADA 认可实验室的分析数据,用于分析未被禁止但必须了解其潜在滥用情况的物质。WADA 监测物质清单每年更新一次,其中的物质可能会被移除、引入或转移到禁用清单中,具体取决于其使用的普遍性。对旧样本数据文件的追溯处理有可能为前几年监测清单中候选物质的使用流行情况创建信息。MetAlign 是一款免费软件,其功能可以减少液相色谱 (LC)/高分辨率 (HR) 全扫描 (FS) 质谱 (MS) 数据文件的大小,并可以快速搜索数千种物质的存在。减少数据文件。
更新日期:2021-07-09
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