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Ultra‐performance liquid chromatography coupled with electrospray ionization/quadrupole time‐of‐flight mass spectrometry for the rapid analysis of constituents in the traditional C hinese medical formula D anggui San
Author(s) -
Gao Xin,
Sun Wenjun,
Fu Qiang,
Niu Xiaofeng
Publication year - 2014
Publication title -
journal of separation science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.72
H-Index - 102
eISSN - 1615-9314
pISSN - 1615-9306
DOI - 10.1002/jssc.201300969
Subject(s) - quadrupole time of flight , chromatography , mass spectrometry , electrospray ionization , chemistry , time of flight mass spectrometry , electrospray , dart ion source , quadrupole , direct electron ionization liquid chromatography–mass spectrometry interface , ionization , high performance liquid chromatography , analytical chemistry (journal) , chemical ionization , electron ionization , physics , organic chemistry , ion , atomic physics
In this work, ultra‐performance LC with ESI quadrupole TOF ‐ MS ( UPLC – ESI ‐ Q ‐ TOF ‐ MS ) and automated M etabo L ynx analysis was used to rapidly separate and identify the chemical constituents of D anggui San, a traditional C hinese medical formula. The analysis was performed on a W aters UPLC BEH C 18 column using a gradient elution system. A hyphenated ESI and Q ‐ TOF analyzer was used for the determination of the accurate mass of the protonated or deprotonated molecule and fragment ions in both positive and negative modes. Based on retention times, accurate mass, and the mass spectrometric fragmentation characteristics, a total of 47 compounds distributed over the chemical groups of phthalides, flavonoids, monoterpene glycosides, sesquiterpenoids, phenolics, and alkaloids, were simultaneously separated within 18 min and identified or tentatively elucidated in D anggui San for the first time. UPLC – ESI ‐ Q ‐ TOF ‐ MS analysis revealed the complexity of the chemical composition of this formula. The method developed is rapid, accurate, reliable, and highly sensitive to characterize the chemical constituents of D anggui San.