Table 1.

Compounds detected and tentatively characterized in A. vulgaris extract by UHPLC-HRMS.

No.	RT (min)	Tentative Identification	Ion Species	Precursor Ion (m/z)	δ ppm	Molecular Formula	Product Ions (m/z)	Reference
1	1.68	Gallic acid	[M − H]−	169.01331	1.66	C7H5O5	169, 125	[17]
2	6.59	p-Coumaroyl hexose 1	[M − H]−	325.09314	4.14	C15H17O8	325, 163, 145, 119, 117	[18]
3	6.69	Chlorogenic acid	[M − H]−	353.08835	4.64	C16H17O9	191, 173, 179, 135	[18]
4	6.73	Galloyl-HHDP-hexose	[M − H]−	633.07430	1.52	C27H21O18	633, 463, 301, 275, 229	[19]
5	6.98	Brevifolin carboxylic acid	[M − H]−	291.01489	4.64	C13H7O8	291, 247, 219, 191	[20]
6	7.08	p-Coumaroyl hexose 2	[M − H]−	325.09314	4.54	C15H17O8	325, 163, 145, 119, 117	[18]
7	7.14	Caffeic acid	[M − H]−	179.03413	1.39	C9H7O4	179, 135, 91	[17]
8	8.06	Quercetin-hexoside-glucuronide	[M − H]−	639.12152	1.93	C27H27O18	639, 463, 301, 151	[19]
9	8.62	Quercetin-3-O-arabinoside-7-O-glucoside	[M − H]−	595.13129	1.40	C26H27O16	595, 463, 462, 433, 301, 299, 271	[21]
10	9.10	p-Coumaroylquinic acid 1	[M − H]−	337.09344	4.90	C16H17O8	337, 191, 163, 145, 119	[18]
11	9.78	Syringic acid	[M − H]−	197.04489	2.24	C9H9O5	197, 169, 153, 125	[22]
12	9.93	Myricetin 3-O-hexoside (glucoside or galactoside)	[M − H]−	479.08360	1.82	C21H19O13	479, 317, 316, 287, 271, 179, 165, 139	[21]
13	10.12	p-Coumaric acid	[M − H]−	163.03917	1.22	C9H7O3	163, 119	[17]
14	10.24	Brevifolin	[M − H]−	247.02469	3.94	C12H7O6	247, 219, 191, 173	[20]
15	10.42	p-Coumaroylquinic acid 2	[M − H]−	337.09335	4.63	C16H17O8	337, 191, 163, 119	[18]
16	10.43	Ellagic acid hexose	[M − H]−	463.05243	3.70	C20H15O13	463, 301, 283, 229	[23]
17	10.46	Gossypetin-7-O-rhamnoside-3-O-hexoside	[M − H]−	625.14417	5.03	C27H29O17	625, 479, 463, 317, 316, 315, 287, 271	[24]
18	10.63	Gossypetin-7-O-rhamnoside-3-O-deoxyhexoside 1	[M − H]−	595.13116	1.18	C26H27O16	595, 463, 462, 449, 317, 316, 315, 287, 271	[24]
19	10.65	Gossypetin-7-O-rhamnoside-3-O-deoxyhexoside 2	[M − H]−	595.13116	1.18	C26H27O16	595, 463, 462, 449, 317, 316, 315, 287, 271	[24]
20	12.59	Quercetin-3-O-vicianoside (Quercetin 3-O-α-L-arabinopyranosyl-(1–6)-β-D-glucopyranoside)	[M − H]−	595.12927	−1.99	C26H27O16	595, 301, 300, 271, 255, 179	[21]
21	12.86	Quercetin-3-O-pentoside–7-O-deoxyhexoside	[M − H]−	579.13635	3.29	C26H27O15	579, 447, 446, 433, 301, 299, 271, 179, 151	[21]
22	12.96	Ellagic acid pentose	[M − H]−	433.04150	3.12	C19H13O12	433, 301, 283, 229, 185	[23]
23	13.61	Ellagic acid	[M − H]−	300.99902	0.10	C14H5O8	301, 283, 245, 229, 201, 185, 173, 145	[23]
24	13.82	Rutin	[M − H]−	609.1473	1.96	C27H30O16	609, 300, 271, 255, 179, 151	[18]
25	13.94	Hyperoside	[M − H]−	463.08862	3.28	C21H19O12	463, 300, 301, 271, 255, 179, 151	[18]
26	14.02	Miquelianin (Quercetin 3-O-glucuronide)	[M − H]−	477.06735	2.07	C21H17O13	477, 301, 255, 179, 151	[19]
27	14.10	Agrimoniin	[M − 2H]−2	934.0721	0.78	C82H54O52	1567, 1265, 1085, 935, 897, 783, 633, 301	[19]
28	14.25	Kaempferol-3-O-rutinoside	[M − H]−	593.15198	3.17	C27H29O15	593, 285	[22]
29	14.28	Isoquercitrin (Quercetin 3-O-glucoside)	[M − H]−	463.08875	3.55	C21H19O12	463, 301, 300, 271, 255, 179, 151	[18]
30	14.44	Cynaroside (luteolin 7-O-glucoside)	[M − H]−	447.09378	3.56	C21H19O11	447, 285, 199	[22]
31	15.05	Guaiaverin (quercetin 3-O-α-L-arabinopyranoside)	[M − H]−	433.07797	3.31	C20H17O11	433, 300, 301, 271, 255, 179, 151	[18]
32	15.44	Avicularin (quercetin 3-O-α-L-arabinofuranoside)	[M − H]−	433.07773	2.75	C20H17O11	433, 300, 301, 271, 255, 179, 151	[18]
33	16.16	Kaempferol 3-O-glucuronide	[M − H]−	461.07315	3.68	C21H17O12	461, 285, 229	[19]
34	16.29	Astragalin (Kaempferol 3-O-glucoside)	[M − H]−	447.09375	3.49	C21H19O11	447, 300, 285, 284, 255, 227	[18]
35	17.04	Kaempferol 3-O-xyloside	[M − H]−	417.08323	3.83	C20H17O10	417, 285, 284, 255, 227	[22]
36	18.83	Quercetin 3-O-(6-O-acetyl-β-D-glucopyranoside	[M − H]−	505.09930	3.24	C23H21O13	505, 301, 300, 271, 255, 179, 151	[22]
37	20.78	Triterpene acid hexoside	[M + HCOO]−	711.39728	1.64	C37H59O13	503	[25]
38	21.09	Chrysoeriol 7-O-glucuronide	[M − H]−	475.08850	2.94	C22H19O12	299, 284, 255	[26]
39	21.31	Kaempferol 3-O-acetylglucoside	[M − H]−	489.10428	3.12	C23H21O12	489, 284, 255, 227	[27]
40	21.45	Quercetin	[M − H]−	301.03546	3.95	C15H9O7	301, 179, 151	[28]
41	23.21	Tiliroside (kaempferol 3-O-(6′′-O-p-coumaroyl)-β-D-glucopyranoside)	[M − H]−	593.13086	3.19	C30H25O13	593, 285, 255, 227	[25]
42	27.18	Triterpene acid hexoside	[M + HCOO]−	695.40216	1.38	C37H59O12	487	[25]
43	27.78	Triterpene acid hexoside	[M + HCOO]−	695.40216	1.38	C37H59O12	487	[25]
44	27.87	Triterpene acid hexoside	[M + HCOO]−	695.40216	1.38	C37H59O12	487	[25]
45	29.83	Arjungenin	[M − H]−	503.33853	3.61	C30H47O6	503, 441, 409	[29]

The values in bold correspond to the base peak.