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Zibushengfa  Tablet is a widely consumed traditional Chinese medicine (TCM) prescription. However, its main bioactives remain unclear and its pharmacopeia quality-marker (Q-marker) is poorly characterized nowadays. The present study analyzed its lyophilized aqueous powder using ultra-high-performance liquid chromatography-quadrupole-orbitrap mass spectrometry. Through comparison with authentic standards in the library, 46 bioactives were putatively identified, including quinic acid, D-gluconic acid, gallic acid, protocatechuic acid, 5-caffeoylquinic acid, L-tryptophan, salidroside, (+)-catechin hydrate, caffeic acid, cryptochlorogenic acid, mangiferin, ferulic acid, myricetin-3- O -galactoside, 2,3,5,4’-tetrahydroxystilbene-2- O -glucoside, forsythoside B, myricitrin, rutin, hyperoside, acteoside, 3,4-dicaffeoylquinic acid, myricetin, senkyunolide A, isochlorogenic acid C, quercitrin, (+)-epipinoresinol, quercetin, biochanin A, calycosin, luteolin, wedelolactone, calycosin-7- O -glucoside, chrysoeriol,  trans -cinnamic acid, formononetin, chrysin, 3,3’,4’,5,6,7,8-heptamethoxyflavone,  Z- ligustilide, amentoflavone, tangeretin, hinokiflavone, emodin, physcion, linoleic acid, stearic acid, palmitic acid, and palmitic acid ethyl ester. Of these, four pairs of isomers were successfully differentiated using the newly established library-filtering strategy. On this basis, senkyunolide A, amentoflavone, quercetin, quercitrin, and wedelolactone are preliminarily suggested as additional quality-markers for the consideration by Pharmacopeia Committee, to prevent the possible adulterate.

journal of liquid chromatography and related technologies

Library-based UHPLC-Q-exactive-orbitrap-MS putative identification of isomeric and non-isomeric bioactives from  Zibushengfa  Tablet and pharmacopeia quality-marker chemistry