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ARS Home » Midwest Area » Peoria, Illinois » National Center for Agricultural Utilization Research » Functional Foods Research » Research » Publications at this Location » Publication #343321

Research Project: Evaluation of the Chemical and Physical Properties of Low-Value Agricultural Crops and Products to Enhance Their Use and Value

Location: Functional Foods Research

Title: Building phytochemical mass spec identification protocols and database libraries

item Berhow, Mark

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.

Interpretive Summary:

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.