A novel algorithm for peak alignment and multivariate analysis applied to simultaneous polarity switching LC/MS/MS analysis

The use of multivariate analysis of mass spectrometry data has been well established for a diverse range of research fields including the metabolomics analysis of biological fluids, food and beverage analysis and environmental samples. In this study, we describe the application of a novel algorithm for MS peak alignment which takes into account both positive and negative ion data to create a single data array using a fast polarity switching LC-MS/MS system.

Content Type:
Paper
Document Number:
WP384
Product Type:
Liquid Chromatography, Liquid Chromatograph-Mass Spectrometry, Mass Spectrometry
Keywords:
Multivariate analysis,Metabolomics,Biological fluid,Fast polarity switching LC-MS/MS, Clinical research, Forensics, Environment, Food and Beverages, Hydrocarbon Processing Industry (Petrochemical, Chemical), Pharmaceutical, Life Science, Food development, Metabolomics, Clinical research, Drinking Water, Pool Water, LCMS-8030,Shim-pack XR-ODS II
Language:
English
File Name:
jpo112007.pdf
File Size:
724kb

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