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Day 3, June 12（Wed.） 12:00-13:00 Room B (Convention Hall 200)
- 3B-L-1200
Introducing a Method for Efficient Analysis Using Analog Grouping Using Orbitrap MS and Compound Discoverer Software
(Thermo Fisher)
oYasuhiro Takegawa
In this presentation, we will introduce a method for estimating the structure and a method for efficient analysis by grouping analogues based on compound characteristics using comprehensive small molecule analysis support software Thermo Scientific™ Compound Discoverer™ and Thermo Scientific™Orbitrap™ MS. In addition to introducing the highly reliable mzCloud™ MSn library obtained with Orbitrap MS, we will also introduce application examples using Kendrick mass defect plot and Molecular network as tools that enable efficient analysis using analog grouping. And, as tools to support non-targeted PFAS analysis, we will introduce a compound database, a fragment ion database, and an m/C vs. md/C plot that extracts PFAS candidates from a large number of matrix molecules.