Table 3.

Identification of the compounds in water extract of Huanglian-Wendan Decoction by LC-MS/MS analysis in negative ion mode.

Number	Retention time (min)	Adduct	Extraction mass (Da)	Found mass (Da)	Error (ppm)	Formula	Identification	Reference
1	1.10	−H	191.01973	191.01964	−0.5	C6H8O7	Citric acid	METLIN ID 124
2	1.23	−H	117.01933	117.01934	0.1	C4H6O4	Succinic acid	METLIN ID 114
3	2.95	−H	153.01933	153.01944	0.7	C7H6O4	3,4-Dihydroxybenzoic acid	METLIN ID 3277
4	6.34	−H	353.08781	353.08812	0.9	C16H18O9	Chlorogenic acid	METLIN ID 3498
5	9.46	−H	193.05063	193.05063	0.0	C10H10O4	Ferulic acid	METLIN ID 4156
6	9.86	−H	595.16684	595.16911	3.8	C27H32O15	Eriocitrin	[28]
7	9.92	−H	417.11911	417.11951	1.0	C21H22O9	Liquiritin	[29]
8	10.22	−H	595.16684	595.16911	3.8	C27H32O15	Neoeriocitrin	[28]
9	10.89	−H	579.17193	579.1736	2.9	C27H32O14	Narirutin	[28]
10	11.25	−H	579.17193	579.1736	2.9	C27H32O14	Naringin	[28]
11	11.57	−H	609.18249	609.18517	4.4	C28H34O15	Hesperidin	METLIN ID 3678
12	11.94	−H	609.18249	609.18517	4.4	C28H34O15	Neohesperidin	METLIN ID 3679
13	12.6	−H	417.11911	417.11951	1.0	C21H22O9	Isoliquiritin	[29]
14	13.01	−H	255.06628	255.0665	0.8	C15H12O4	Liquiritigenin	[29]
15	13.92	−H	593.18758	593.18923	2.8	C28H34O14	Poncirin	[28]
16	14.96	−H	271.0612	271.06143	0.9	C15H12O5	Naringenin	METLIN ID 3401
17	15.7	−H	301.07176	301.07191	0.5	C16H14O6	Hesperetin	METLIN ID 44508
18	16.79	−H	255.06628	255.0665	0.8	C15H12O4	Isoliquiritigenin	METLIN ID 44115
19	18.75	−H	821.39651	821.3992	3.3	C42H62O16	Glycyrrhizic acid	METLIN ID 44285
20	28.01	−H	469.33233	469.33327	2.0	C30H46O4	Glycyrrhetinic acid	[29]