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J Am Soc Mass Spectrom. 2012 Sep;23(9):1569-78. doi: 10.1007/s13361-012-0392-0. Epub 2012 Jun 19.

The chromatographic role in high resolution mass spectrometry for non-targeted analysis.

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U.S. Food and Drug Administration, Center for Food Safety and Applied Nutrition, College Park, MD 20770, USA.


Resolution improvements in time-of-flight instrumentation and the emergence of the Orbitrap mass spectrometer have researchers using high resolution mass spectrometry to determine elemental compositions and performing screening methods based on the full-scan data from these instruments. This work is focused on examining instrument performance of both a QTOF and a bench-top Orbitrap. In this study, the impact of chromatographic resolution on mass measurement accuracy, mass measurement precision, and ion suppression is examined at a fundamental level. This work was extended to a mixture of over 200 pesticides to determine how well two different software algorithms componentized and correctly identified these compounds under different sets of chromatographic conditions, where co-elution was expected to vary markedly.

[Indexed for MEDLINE]

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