The chromatographic role in high resolution mass spectrometry for non-targeted analysis.
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.
U.S. Food and Drug Administration, Center for Food Safety and Applied Nutrition, College Park, MD 20770, USA. timothy.croley@fda.hhs.gov
Timothy R
TR
Croley
Kevin D
KD
White
John H
JH
Callahan
Steven M
SM
Musser
D000465:Algorithms; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D013058:Mass Spectrometry / Q000379:methods*; D008956:Models, Chemical; D010575:Pesticides / Q000737:chemistry / Q000302:isolation & purification; D012984:Software
D010575:Pesticides