Analysis of the Chemical Components in Citrus reticulata Blanco Pulp Based on HPLC-DAD-ESI-MS/MS Combined with Molecular Network Technology
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Abstract:
The components of Citrus reticulata Blanco pulp were analyzed using high-performance liquid chromatography-diode array detector–electrospray ionization mass spectrometry (HPLC-DAD-ESI-MS/MS) combined with molecular network technology. A Thermo Hypersil GOLD C18 column (250×4.6 mm, 5 μm) was used for gradient elution, with methanol: 0.1% formic acid aqueous solution used as the mobile phase. Mass spectrometry data were collected in positive and negative ion modes and uploaded to the Global Natural Products Social Molecular Networking (GNPS) to create a molecular network of C. reticulata pulp. The secondary mass spectrometry fragmentation information and ultraviolet absorption characteristics were compared with those reported in the literature and contained in the online databases mzcloud and pubchem. False positive results of the molecular network were excluded, resulting in the annotation of 70 pulp compounds, including 7 flavonoids, 25 phenylpropanoids, 8 diphenylheptane, 11 organic acids, 5 fatty acids, 4 amino acids, 4 terpenoids, 2 nucleotides, and 1 alkaloid. Among these, the 8 diphenylheptane components and 2 lignan components may be newly identified components in the pulp of C. reticulata. Our findings thus indicate that a combination of liquid chromatography-mass spectrometry and molecular network technology can be used to rapidly, accurately, and comprehensively annotate components in the pulp of C. reticulata, and thereby provide a theoretical reference for further development and utilization of C. reticulata pulp.
