Quality Evaluation of Artemisia capillaris Thunb. Based on Qualitative Analysis of the HPLC Fingerprint and UFLC-Q-TOF-MS/MS Combined with Quantitative Analysis of Multicomponents

Table 4

Identification of the common peaks in the A. capillaris fingerprint by UHLC-Q-TOF-MS/MS.

Peak no.	tR (min)	Formula	MS			MS/MS^c	Identification	Types of compounds
			Measured	Theoretical	Error (ppm)
1	13.525	C16H18O9	353.0885^a	353.0878	2.0	191.0573	1-CQA^d	Organic acids
2	16.933	C16H18O9	353.0885^a	353.0878	2.0	191.0572, 179.0350, 135.0441, 353.0906	NCA^d	Organic acids
			389.0631^b	389.0645	-3.6	353.090
3	20.198	C19H26O11	465.1162^b	465.1169	-1.5	465.1170, 135.0455, 429.1407, 329.0680, 293.0897	6′-O-Xylosyl-p-hydroxyacetophenone-4-O-β-D-glucoside	Others
4	22.909	C22H28O14	515.1409^a	515.1406	0.5	191.0561, 323.0768, 515.1426, 161.0241, 353.0868, 179.0343	1-O-(4′-O-β-D-Glucosyl caffeoyl) quinic acid or 1-O-(3′-O-β-D-glucosyl caffeoyl) quinic acid	Organic acids
5	27.281	C16H18O9	353.0886^a	353.0878	2.2	191.0577	CA^d	Organic acids
6	30.533	C9H8O4	179.0358^a	179.0350	4.6	135.0456, 107.0505, 179.0348, 117.0340	Caffeic acid^d	Organic acids
7	32.916	C16H18O9	353.0883^a	353.0878	1.4	173.0462, 191.0568, 179.0355, 135.0461, 353.0901	CCA^d	Organic acids
			389.0647^b	389.0645	0.3	173.0457, 179.0354, 191.0568, 353.0885, 135.0456
8	39.703	C8H8O2	135.0457^a	135.0452	4.0	93.0354, 135.0457	p-Hydroxyacetophenone^a	Others
9	45.515	C27H30O15	593.1535^a	593.1512	3.9	593.1553, 353.0674, 473.1101, 383.0784, 503.1209, 413.0927	Apigenin 6, 8-di-C-β-D-glucoside	Flavonoids
10	46.316	C25H24O12	515.1201^a	515.1195	1.2	191.0566, 179.0356, 335.0887, 515.1225, 135.0461, 173.0463, 161.0243	1, 3-DiCQA^d	Organic acids
			551.0970^b	551.0962	1.5	353.0893, 515.1234, 191.0568, 179.0357, 335.0785, 173.0443, 135.0461
11	48.753	C27H30O16	609.1456^a	609.1461	-0.8	609.1480, 463.0192, 447.0915, 301.0339	Isomer of rutin	Flavonoids
			645.1207^b	645.1228	-3.2	609.1482, 463.0906, 447.0931, 301.0316
12	55.161	C27H30O16	609.1475^a	609.1461	2.3	609.1516, 301.0362	Rutin^d	Flavonoids
13	55.657	C21H20O12	463.0890^a	463.0882	1.7	463.0914, 301.0359	Hyperoside^d	Flavonoids
14	56.590	C21H20O12	463.0896^a	463.0882	3.0	463.0937, 301.0373, 179.0010	Isoquercetin^d	Flavonoids
15	57.238	C21H20O11	447.0945^a	447.0933	2.7	285.0404, 447.0940	Kaempferol-3-O-glucoside	Flavonoids
16	57.638	C27H30O15	593.1510^a	593.1512	-0.3	593.1525, 285.0469	Kaempferol-3-O-rutinoside	Flavonoids
17	61.037	C21H20O11	447.0939^a	447.0933	1.4	447.0974, 285.0420	Quercetin-3-O-rhamnoside	Flavonoids
			483.0705^b	483.0700	1.1	447.0954, 285.0406
18	61.495	C25H24O12	515.1220^a	515.1195	4.9	191.0579, 353.0917, 179.0364 515.1287	3, 4-DiCQA^d	Organic acids
19	61.913	C25H24O12	515.1212^a	515.1195	3.3	191.0572, 353.0909, 179.0353, 173.0456, 135.0454, 515.1298	3, 5-DiCQA^d	Organic acids
20	64.996	C25H24O12	515.1215^a	515.1195	3.9	173.0462, 353.0913, 179.0356, 515.1294, 191.0572, 135.0448	4, 5-DiCQA^d	Organic acids

Quasimolecular ion was [M-H]⁻. ^bQuasimolecular ion was [M + Cl]⁻. ^cSequencing according to the abundance. ^dConfirmed by comparison with reference substances.