Selective Identification of Organic Iodine Compounds Using Liquid Chromatography–High Resolution Mass Spectrometry

A method to selectively and sensitively detect organic iodine compounds and identify their structures has been developed using liquid chromatography–high resolution mass spectrometry (LC–HRMS). Using extracted ion chromatograms of product ions (iodine ion) collected on a rapid scanning quadrupole orbitrap mass spectrometer, the retention times of the unknown organic iodine compounds were determined, and the structural information were acquired according to the MS/MS experiments and the matching with reference standards. We have demonstrated the application of this method by identifying unknown organic iodine compounds in seaweed. A total of 28 possible organic iodine peaks were discovered, among them, the accurate mass and element composition of the corresponding precursor ions were identified for 12 peaks, and molecular structures were confirmed for 4 peaks, which were 3-iodo-l-tyrosine, 3,5-diiodo-l-tyrosine, 4-iodophenol, and 2-iodobenzoic acid. This method is expected to lead to the future discovery of new organic iodine compounds via LC–HRMS in different environmental samples, which is crucial for understanding the iodine biogeochemical cycling