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The candidate peaks with chemical modifica … The candidate peaks with chemical modification such as glycosylation and acylation were searched by comparing the peak list having mass information of aglycon of typical flavonoid against the peak list from an unlabeled sample using ShiftedIonsFinder.
The prepared basic sample and shifted samples were imported to ShiftedIonsFinder and the labeled ions were searched with parameters (Max fold: Glc = 3, Rha = 3, GlcUA = 3, Malonyl = 3, Succinyl = 3; Mass difference = 3ppm, RT difference = 60). Flavonoid list (manually prepared) was used for the analysis. The exported file from ShiftedIonsFinder was arranged by Excel. m ShiftedIonsFinder was arranged by Excel.
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