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	tR (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