AM Description
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Metabolite annotation of the detected peak … Metabolite annotation of the detected peaks was performed by searching compound databases or predicting elemental compositions using the MFSearcher tool, based on the estimated m/z value and adduct ion. The UC2 search mode of the MFSearcher tool was used for searching compound databases, KNApSAcK and HMDB, with a given mass tolerance of 5 ppm. We performed three additional searches on 1) the ExactMassDB-HR2 database for predicting elemental compositions, 2) the peptide database for theoretical composition formulas with molecular weights of up to 1000, and 3) the in-house reference library. 00, and 3) the in-house reference library.
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