title: Non-targeted screening approaches for contaminants and adulterants in food using liquid chromatography hyphenated to high resolution mass spectrometry.
abstract: The majority of analytical methods for food safety monitor the presence of a specific compound or defined set of compounds. Non-targeted screening methods are complementary to these approaches by detecting and identifying unexpected compounds present in food matrices that may be harmful to public health. However, the development and implementation of generalized non-targeted screening workflows are particularly challenging, especially for food matrices due to inherent sample complexity and diversity and a large analyte concentration range. One approach that can be implemented is liquid chromatography coupled to high-resolution mass spectrometry, which serves to reduce this complexity and is capable of generating molecular formulae for compounds of interest. Current capabilities, strategies, and challenges will be reviewed for sample preparation, mass spectrometry, chromatography, and data processing workflows. Considerations to increase the accuracy and speed of identifying unknown molecular species will also be addressed, including suggestions for achieving sufficient data quality for non-targeted screening applications.
authors.affiliation: U.S. Food and Drug Administration, Center for Food Safety and Applied Nutrition, 5100 Paint Branch Parkway, College Park, MD 20740, United States. Electronic address: Ann.Knolhoff@fda.hhs.gov.
authors.forename: Ann M
authors.initials: AM
authors.lastname: Knolhoff
authors.affiliation: U.S. Food and Drug Administration, Center for Food Safety and Applied Nutrition, 5100 Paint Branch Parkway, College Park, MD 20740, United States.
authors.forename: Timothy R
authors.initials: TR
authors.lastname: Croley
mesh_terms: D002853:Chromatography, Liquid; D005504:Food Analysis / Q000379:methods*; D013058:Mass Spectrometry
keywords: Food safety; HR-MS; LC/MS; Non-targeted screening; Unknown analysis