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Rapid and sensitive screening and characterization of phenolic acids, phthalides, saponins and isoflavonoids in Danggui Buxue Tang by rapid resolution liquid chromatography/diode‐array detection coupled with time‐of‐flight mass spectrometry
Author(s) -
Qi LianWen,
Wen XiaoDong,
Cao Jun,
Li ChangYin,
Li Ping,
Yi Ling,
Wang YuXia,
Cheng XiaoLan,
Ge XiaoXiao
Publication year - 2008
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.3638
Subject(s) - chemistry , chromatography , time of flight mass spectrometry , mass spectrometry , resolution (logic) , analyte , high performance liquid chromatography , ion , analytical chemistry (journal) , organic chemistry , ionization , artificial intelligence , computer science
Abstract A novel rapid resolution liquid chromatography (RRLC) method coupled with diode‐array detection (DAD) and time‐of‐flight mass spectrometry (TOFMS) in both positive and negative modes has been developed for quick and sensitive identification of the major compounds in Danggui Buxue Tang (DBT) preparation. Significant advantages of the use of RRLC with 1.8‐µm porous particles include the much higher speed of chromatographic separation and great enhancement in sensitivity, compared with the conventional high‐performance liquid chromatography (HPLC). With dynamic adjustment of the key role as fragmentor voltage in TOFMS, an efficient transmission of the ions was achieved to obtain the best sensitivity for providing the molecular formula for each analyte, and abundant fragment ions for structural information. The structural characterization of the major compounds in DBT was elucidated with authentic standards by DAD‐TOF/MS, including phenolic acids, phthalides, saponins and isoflavonoids. The targets were rapidly screened from the complicated DBT matrix using a narrow mass window of 0.01 Da to restructure extracted ion chromatograms. By accurate mass measurements within 3 ppm error for each molecular ion and subsequent fragment ions, ten phenolic acids and phthalides including three groups of isomers, thirteen major saponins with a 20,24‐epoxy‐9,19‐cyclolanostane‐3,6,16,25‐tetrol skeleton, sixteen isoflavonoids, corresponding glycosides, malonylglycosides, and acetylglycosides were identified in DBT preparation. The appropriate fragmentation pathways for them were also proposed based on definite elemental composition of the fragment ions. Copyright © 2008 John Wiley & Sons, Ltd.