The purpose of this study is to develop an improved comprehensive data filtering strategy, which was implemented primarily through the Microsoft Office platform's Excel software for rapid screening of potential 2-(2-phenylethyl)chromone (PEC) monomers and their dimers (PEC dimers) obtained from agarwood. A total of 108 PEC monomers and 30 PEC dimers in agarwood were characterized. In conclusion, the results obtained in this work could provide useful information for the future utilization of agarwood. In particular, it is the first time to conduct an in-depth analysis of the MS/MS fragmentation behavior of a large number of PEC monomers and PEC dimers, including the identification of substituent positions of them. The proposed data filtering strategy could improve the comprehensive characterization efficiency of complex components in spices.
Keywords: 2-(2-phenylethyl)chromones; Agarwood; Chemical structural characterization; Mass defect filter; Spices; UHPLC-Q-Exactive Orbitrap-MS.
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