Submitted to: Meeting Abstract
Publication Type: Abstract Only
Publication Acceptance Date: 5/1/2013
Publication Date: 8/7/2013
Citation: Berhow, M.A., Duval, S.M., Bowman, M.J. 2013. Collision-induced fragmentation accurate mass spectrometric analysis methods to rapidly characterize plant extracts [abstract]. In: Proceedings of the 52nd Annual Meeting of the Phytochemical Society of North America, August 3-7, 2013, Corvallis, Oregon. p. 47.
Technical Abstract: The rapid advances in analytical chromatography equipment have made the reliable and reproducible measurement of a wide range of plant chemical components possible. Full chemical characterization of a given plant material is possible with the new mass spectrometers currently available. However, the software needed to automate the identification process is still not up to snuff. Even in the major agricultural crops, not all of the phytochemical components have been identified, and very few of the minor phytochemical components are available as pure standards for further nutritional evaluation. For phytochemicals, we have used the latest accurate mass LC-MS analysis to quickly characterize the potential chemical formulas for a series of unknown compounds in a variety of seed and leaf extracts using a standardized CID/HCD mass fragmentation experiment in which interpretation of the daughter ions allowed for the identification of phytochemical aglycones and various substituted fragments. These results – coupled with DEPT NMR analysis as needed – resulted in the identification of a series of phytochemicals in camelina seed extracts. Accurate LC-MS^N^ screening and characterization analyses can be coupled to more rapid non-destructive spectrophotometric analytical methods such as pulsed NMR and near infrared (NIR) spectrometry, which will allow for the rapid and non-destructive analysis of thousands of samples for a wide range of chemical composition parameters.