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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 #338016

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: Rapid glucosinolate detection and identification using accurate mass MS-MS

item Berhow, Mark

Submitted to: Meeting Abstract
Publication Type: Abstract Only
Publication Acceptance Date: 6/4/2017
Publication Date: 6/8/2017
Citation: Berhow, M.A. 2017. Rapid glucosinolate detection and identification using accurate mass MS-MS [abstract]. American Society for Mass Spectrometry.

Interpretive Summary:

Technical Abstract: Currently, there is a demand for accurate evaluation of brassica plat species for their glucosinolate content. An optimized method has been developed for detecting and identifying glucosinolates in plant extracts using MS-MS fragmentation with ion trap collision induced dissociation (CID) and higher energy induced dissociation (HCD) in negative mode on a Thermoscientific LTQ XL Orbitrap Discovery. Four mass spec “events” were programed to run in sequence in the MS detection scheme. 1) LTQ(IT)-MS full scan m/z 150 to 2000. 2) LTQ(IT)-MS set to trap the most abundant ion above a threshold of 500 units and perform CID at 35% energy, with the resulting ions being detected by the IT-MS. 3) FT-MS(Orbitrap) full scan m/z 150 to 2000. 4) Mass-dependant MS/MS on the most abundant ion trapped by the IT-MS in Event 1 and perform HCD at 25% energy with the resulting fragmentation ions being detected by the FT-MS. A series of mass spec “events” during the evaluation of reverse-phase separation of the chemical constituents in a plant extract gives a distinctive fragmentation signature indicating the presence of glucosinolate due to the presence of a sulfate group fragment from the HCD. Accurate mass determination of the negative ion parent ion [M]- will yield the identity of the glucosinolate. Glucosinolate content is fairly species specific. This methodology can accurately determine the glucosinolate composition in plant extracts and can be used to evaluate contamination and adulteration.