Evidence-Based Complementary and Alternative Medicine

Research Article

Mechanism and Active Components of Qingre Lidan Tablets Alleviate Intrahepatic Cholestasis by Activating the Farnesoid X Receptor

Table 2

Chemical constituent identification of QLTs.


No.	tR/min	Measured (m/z)	Calculated (m/z)	Mode	Molecular formula	Error (ppm)	Fragment (m/z)	Name	Source	Reference

1	1.23	169.0123	169.0137	b, [M − H]⁻	C₇H₆O₅	−8.3	125, 97, 79	Gallic acid	RRR	[15]
2	3.01	137.0234	137.0239	a, [M − H]⁻	C₇H₆O₃	−3.6	137, 93	Salicylic acid	SBG; ACT	[15]
3	3.44	291.0876	291.0869	b, [M + H]⁺	C₁₅H₁₄O₆	2.4	139, 123, 91	(−)-Epicatechin	RRR	[15]
4	3.68	353.0856	353.0873	b, [M − H]⁻	C₁₆H₁₈O₉	−4.8	191, 179	Chlorogenic acid	ACT; LCH	[16]
5	3.73	179.0332	179.0344	a, [M − H]⁻	C₉H₈O₄	−6.7	179, 135	Caffeic acid	ACT; LCH; PV	[16]
6	4.50	163.0383	163.0395	a, [M − H]⁻	C₉H₈O₃	−7.4	163	p-Coumaric acid	ACT; LCH; PV	[17]
7	4.90	301.0352	301.0348	a, [M − H]⁻	C₁₅H₁₀O₇	1.3	301, 289, 125	Quercetin	ACT; LCH	[18]
8	4.96	611.1611	611.1612	b, [M + H]⁺	C₂₇H₃₀O₁₆	−0.2	633, 611, 303	Rutin	ACT; PV; LCH	[18]
9	5.55	447.0930	447.0927	a, [M − H]⁻	C₂₁H₂₀O₁₁	0.7	285, 227	Kaempferol-3-O-galactoside	LCH	[19]
10	6.35	347.0778	347.0767	a, [M + H]⁺	C₁₇H₁₄O₈	3.2	332, 317, 314	Ganhuangenin	SBG	[20]
11	6.54	447.0942	447.0927	b, [M + H]⁺	C₂₁H₁₈O₁₁	2.0	271, 253	Baicalin	SBG	[15]
12	6.87	303.0504	303.0505	a, [M + H]⁺	C₁₅H₁₀O₇	−0.3	303, 285, 257, 229	Morin	ACT; PV	[21]
13	7.03	461.1079	461.1084	a, [M − H]⁻	C₂₂H₂₂O₁₁	−1.1	331, 169	LMPK12111078	SBG	[15]
14	7.05	177.0560	177.0552	a, [M + H]⁺	C₁₀H₈O₃	4.5	177, 163	7-Methoxycoumarin	ACT	[21]
15	7.38	461.1088	461.1084	b, [M + H]⁺	C₂₂H₂₀O₁₁	0.9	285, 270	Oroxylin A-7-O-glucuronide	SBG	[15]
16	7.59	431.0971	431.0978	a, [M − H]⁻	C₂₁H₂₀O₁₀	−1.6	431, 269	Emodin-8-O-β-D-glucopyranoside	RRR	[20]
17	7.77	461.1090	461.1084	b, [M + H]⁺	C₂₂H₂₀O₁₁	1.3	285, 270	Wogonoside	SBG	[15]
18	8.38	269.0446	269.0450	a, [M − H]−	C₁₅H₁₀O₅	−1.5	269, 253, 241, 225	Aloe emodin	RRR	[15]
19	8.73	241.0862	241.0865	b, [M − H]⁻	C₁₅H₁₄O₃	−1.2	241, 223, 182	Randaiol	CMO	[22]
20	8.78	301.0714	301.0712	a, [M + H]⁺	C₁₆H₁₂O₆	0.7	286	4′-Hydroxywogonin	SBG	[23]
21	8.90	271.0620	271.0606	a, [M + H]⁺	C₁₅H₁₀O₅	5.2	253, 241	Baicalein	SBG	[15]
22	10.75	283.0252	283.0243	a, [M − H]⁻	C₁₅H₈O₆	3.2	282, 239, 211, 183	Rhein	RRR	[15]
23	10.93	285.0771	285.0763	a, [M + H]⁺	C₁₆H₁₂O₅	2.8	270, 151	Wogonin	SGB	[15]
24	11.10	253.0506	253.0501	a, [M − H]⁻	C₁₅H₁₀O₄	2.0	253, 225	Chrysophanol	RRR	[15]
25	11.33	315.0875	315.0869	a, [M + H]+	C₁₇H₁₄O₆	1.9	315, 154	Cirsimaritin	SBG; ACT	[15]
26	11.68	375.1087	375.1080	b, [M + H]+	C₁₉H₁₈O₈	−1.9	360, 345	Skullcapflavone II	SBG	[15]
27	15.00	269.0448	269.0450	a, [M − H]⁻	C₁₅H₁₀O₅	−0.7	269, 253, 241, 225	Emodin	RRR	[15]
28	16.48	265.1239	265.0229	a, [M − H]⁻	C₁₈H₁₈O₂	3.8	265, 235, 223, 197	Honokiol	CMO	[22]
29	17.68	281.1164	281.1178	b, [M − H]⁻	C₁₈H₁₈O₃	−5.0	281, 263, 133	Randainol	CMO	[24]
30	17.82	265.1246	265.1229	a, [M − H]⁻	C₁₈H₁₈O₂	6.4	265, 247, 223	Magnolol	CMO	[22]
31	19.10	285.0771	285.0763	b, [M + H]⁺	C₁₆H₁₂O₅	2.8	270	Oroxylin A	SBG	[15]
32	19.25	279.2321	279.2324	a, [M + H]⁺	C₁₈H₃₀O₂	−1.1	279, 119, 105, 95	Linolenic acid	ACT	[21]
33	20.54	279.1599	279.1596	b, [M + H]⁺	C₁₆H₂₂O₄	1.1	149	Dibutyl phthalate	ACT; CMO	[25]
34	28.49	281.2475	281.2481	a, [M + H]⁺	C₁₈H₃₂O₂	−2.1	264, 184	Linoleic acid	PV	[26]
35	34.76	391.2849	391.2868	b, [M + H]⁺	C₂₄H₃₈O₄	0.3	149	Diisooctyl phthalate	SBG	[27]

(a) Ethyl acetate extract of QLTs; (b) n-butanol extract of QLTs. (LMPK12111078) 5,7,2′-Trihydroxy-6-methoxyflavone 7-O-glucoside. (ACT) Artemisia capillaris Thunb, (LCH) Lysimachia christinae Hance, (SBG) Scutellaria baicalensis Georgi, (RRR) Rhei radix et Rhizoma, (CMO) Cortex Magnoliae Officinalis, (PV) Prunella vulgaris.