Location: Functional Foods ResearchTitle: Building phytochemical mass spec identification protocols and database libraries
Submitted to: Meeting Abstract
Publication Type: Abstract Only
Publication Acceptance Date: 8/5/2017
Publication Date: 8/9/2017
Citation: Berhow, M.A. 2017. Building phytochemical mass spec identification protocols and database libraries [abstract]. Phytochemical Society of North America.
Technical Abstract: An optimized single LC-MS evaluation that would accurately determine the elemental composition of as many compounds present in an extract would greatly aid in the evaluation of plant tissues. For phytochemicals, we have used accurate mass analysis to quickly characterize the potential chemical formulas and structures for both known and unknown compounds in plant extracts. Several laboratories and instrument companies are working on phytochemical evaluations and have similar protocols, but what is lacking is 1) a curated set of a large library of pure phytochemical standards that have been evaluated by MS, 2) a centralized location for accessing phytochemical spectral libraries and databases, and 3) accurate software programs for predicting unknown chemical structures from MS and other data. The PSNA is considering initiating a big data project to address these needs.