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Material Evaluation using msFineAnalysis - MSTips 330


As polymer materials have become more complex and diverse, the details of their chemical composition have become more critical for the end users. This knowledge allows manufacturers and users to understand the effects of incorporating these polymer materials into their products. Additionally, it is critical to also have tools that can quickly compare two-samples to each other like conventional materials versus alternative materials, new products versus old products, and good products versus defective products.

 Gas chromatography-mass spectrometry (GC-MS) is an analytical technique that is widely used for both qualitative and quantitative analysis of volatile compounds in materials. For these types of measurements, GC-MS analyses typically only involve library database searches to identify each analyte.  However, it is not uncommon to measure unknown analytes that are not registered in the databases so for these compounds, it is not possible to identify them with the database search method. To address this problem, we developed the msFineAnalysis software in 2018 that uses an "integrated analysis" approach in which the EI fragmentation information is combined with the soft ionization (SI) accurate mass information for the molecular ion to automatically determine the most logical chemical formula for each analyte.

 More recently, msFineAnalysis Ver. 3 was introduced in which a differential analysis function was added to the software that uses t-tests to compare two samples to each other. In this work, we compared two polypropylene/polyethylene (PP/PE) copolymerized polymers to show the differential analysis capabilities of msFineAnalysis Ver. 3.


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