. 2022 Apr 9;27(8):2432. doi: 10.3390/molecules27082432

Table 2.

UHPLC-ESI-MS data of C. incanus infusion components in negative ion mode.

No.	Rt [min]	[M − H]⁻ [m/z]	MS/MS [m/z]	Identification	Reference
1	5.52	781.0581		Punicalin isomers 1 and 2	[17]
2	5.90	781.0583		Punicalin isomers 1 and 2	[17]
3	13.57	1083.0631/541.0264 ^a	781, 601, 301	Punicalagin isomers 1 and 2	[23]
4	15.90	1083.0637/541.0264 ^a	781, 601, 451, 301	Punicalagin isomers 1 and 2	[23]
5	16.97 17.36	1085.0769/542.026 ^a	301	Terflavin A	[23]
6	18.08 18.34	1251.0706/625.0285 ^a	301	Cistusin isomers 1 and 2	[23]
7	19.05	300.9841	257, 229	Ellagic acid	[50]
8	19.92	631.098	316/317 ^b	Myricetin-O-galloyl-hexoside (galactoside or glucoside)	[51]
9	20.44	479.0854	316/317 ^b	Myricetin-3-O-galactoside	[18]
10	20.70	479.0861	316/317 ^b	Myricetin-3-O-glucoside	[18]
11	20.00	493.1377	313, 179	Dimethyl-kaempferol-O-hexoside (galactoside or glucoside)	[52] [50]
12	21.82	449.0751	316/317 ^b	Myricetin-3-O-pentoside (xyloside or arabinoside)	[53]
13	22.09	463.091	316/317 ^b	Myricitrin (myricetin-3-O-rhamnoside)	[20]
14	22.40	463.0906	300/301 ^b	Hyperoside (quercetin-3-O-galactoside)	[18]
15	22.71	463.091	300/301 ^b	Isoquercitrin (quercetin-3-O-glucoside)	[18]
16	23.74	433.0798	300/301 ^b	Quercetin-3-O-pentoside isomer 1 (xyloside or arabinoside)	[53]
17	24.05	433.0801	300/301 ^b	Quercetin-3-O-pentoside isomer 2 (xyloside or arabinoside)	[53]
18	24.39	447.0949	300/301 ^b	Quercitrin(quercetin-3-O-rhamnoside)	[20]
19	28.77	609.1293	301	Quercetin-O-rhamnoside-O-hexoside (rutin or other isomer)	[20]
20	30.27	593.1348	285	Tiliroside (6″-O-p-coumaroylastragalin)	[54]

^a, [M − 2H]²⁻; ^b, [Y₀ − H]^−•/[Y₀]⁻ (radical aglycone ion/aglycone ion).