Evidence-Based Complementary and Alternative Medicine / 2021 / Article / Tab 3 / Research Article
Phytochemical Analysis Using UPLC-MS/MS Combined with Network Pharmacology Methods to Explore the Biomarkers for the Quality Control of Lingguizhugan Decoction Table 3 Mass spectrometry data of 20 chemical constituents.
Chemical components t R (min)Detection mode Parent ion (m/z ) Daughter ion (m/z ) Declustering potential (V) Collision energy (V) Poricoic acid A 31.36 M-H 497.2 423.3 −44.00 −214.00 Poricoic acid B 30.64 M-H 483.4 409.4 −44.40 −203.00 Glycyrrhizic acid 25.53 M-H 821.4 350.8 −78.00 −276.00 Glycyrrhetinic acid 31.80 M-H 469.2 425.4 −49.90 −247.00 Liquiritin And isoliquiritin 17.81 22.31 M-H 417.2 255.0 −47.00 −215.00 Liquiritigenin 17.81 M-H 255.0 134.7 −43.00 −178.00 Isoliquiritin apioside 22.04 M-H 549.2 254.8 −53.00 −284.00 Cinnamic acid 23.23 M-H 146.6 102.8 −14.08 −148.86 Caffeic acid 9.31 M-H 178.6 134.6 −23.88 −104.01 Neochlorogenic acid and chlorogenic acid 5.02 8.35 M-H 353.0 190.6 −22.91 −152.04 Cryptochlorogenic acid 8.91 M-H 353.1 172.6 −22.43 −114.04 Isochlorogenic acid A, B, and C 20.96 20.59 21.54 M-H 515.1 353.1 −37.00 −180.00 Atractylenolide III 27.76 M-H 247.0 202.7 −22.95 −147.87 Atractylenolide I 31.56 M + H 231.1 129.0 37.83 136.00 Atractylenolide II 29.98 M + H 233.3 215.2 20.00 133.00 Coumarin 19.70 M + H 147.2 91.0 28.03 109.00