Rapid Screening and Quantitative Determination of Active Components in Qing-Hua-Yu-Re-Formula Using UHPLC-Q-TOF/MS and HPLC-UV

Table 1

MS¹ and MS² information of the QHYRF.

Number	tR (min)	MS^1	MS^2	Formula	Error	Identification	Source
1	3.7	719.2063	359.0976, 197.0432, 179.0326	C48H32O7	−1.7	—	—
2	4.9	197.0467	179.0340, 135.0448, 123.0452, 72.9960	C9H10O5	5.9	Danshensu	Salvia miltiorrhiza
3	7.5	495.1498	465.1405, 345.1118, 137.0228	C23H28O12	−2.0	Oxypaeoniflorin	Paeonia lactiflora
4	8.7	525.1612	495.1546, 167.0338	C24H30O13	−0.3	Mudanpioside E	Salvia miltiorrhiza
5	9.0	367.1033	193.0490, 134.0362	C17H20O9	−0.4	5-O-Feruloylquinic acid	Salvia miltiorrhiza
6	11.1	505.1562	459.1522, 293.0870, 165.0543, 150.0308	C20H28O12	3.0	Paeonolide	Paeonia lactiflora
7	12.4	505.1563	459.1526, 293.0873, 233.0656, 165.0547, 150.0310	C20H28O12	0.0	Apiopaeonoside	Salvia miltiorrhiza
8	13.0	647.1615	629.1577, 509.1336, 491.1226,399.0946, 313.0565, 271.0453	C30H32O16	−0.4	6-O-Galloyloxypaeoni- florin	Paeonia lactiflora
9	13.3	785.252	623.2223, 477.1619, 179.0345, 161.0227	C35H46O20	1.3	Echinacoside	Rehmannia glutinosa
10	13.8	367.1036	193.0487, 191.0543, 173.0439, 134.0362	C17H20O9	0.4	3-O-Feruloylquinic acid	Salvia miltiorrhiza
11	14.8	525.1608	479.1554, 449.1453, 327.1069, 165.0539, 121.0288	C24H30O13	−1.1	Paeoniflorin	Paeonia lactiflora
12	17.5	611.1621	445.0995, 343.0670, 169.0124	C27H32O16	0.6	Hydroxysafflor yellow A	—
13	17.9	611.1621	445.0998, 169.0131	C27H32O16	0.6	Hydroxysafflor yellow A isomer	—
14	18.3	537.1041	493.1154, 313.0515, 295.0600, 185.0230	C27H22O12	0.5	Salvianolic acid A	Salvia miltiorrhiza
15	18.6	525.16	479.1589, 449.1472, 317.1086, 283.0818, 121.0293	C24H30O13	−0.1	Paeoniflorin isomer	Paeonia lactiflora
16	18.9	623.1979	461.1680, 161.0237	C29H36O15	−0.4	Acteoside	Rehmannia glutinosa
17	20.3	623.1983	461.1683, 161.0234	C29H36O15	0.2	Forsythoside A	Rehmannia glutinosa
18	20.6	537.1034	493.1155, 313.0502, 295.0594, 185.0226	C27H22O12	−0.8	Salvianolic acid H	Salvia miltiorrhiza
19	20.8	417.0826	373.0918, 197.0432, 179.0328, 175.0379, 152.0279	C20H18O10	−0.3	Salvianolic acid D	Salvia miltiorrhiza
20	22.2	717.1472	519.0950, 339.0500, 321.0395, 295.0597	C36H30O16	1.5	Salvianolic acid E	Salvia miltiorrhiza
21	23.1	359.0775	197.0442, 179.0334, 161.0233, 133.0287	C18H16O8	0.7	Rosmarinic acid	Salvia miltiorrhiza
22	23.5	537.1037	493.1172, 313.0509, 295.0608, 185.0236	C27H22O12	−0.3	Lithospermic acid	Salvia miltiorrhiza
23	24.9	717.1456	519.0939, 339.0489, 321.0386, 295.0590, 279.0277	C36H30O16	−0.7	Salvianolic acid B	Salvia miltiorrhiza
24	26.3	717.1468	519.0936, 339.0487, 321.0385, 295.0588, 279.0275	C36H30O16	1.0	Isosalvianolic acid B	Salvia miltiorrhiza
25	27.0	599.1769	569.1709, 477.1430, 137.0234	C30H32O13	−0.2	Benzoyloxypaeoniflorin	Paeonia lactiflora
26	30.7	491.0983	311.0556, 293.0440, 265.0492, 197.0440, 135.0442	C26H20O10	−0.1	Salvianolic acid C	Salvia miltiorrhiza
27	31.0	629.1872	583.1838, 553.1730, 431.1342, 165.0541, 121.0287	C30H32O12	−0.6	Benzoylpaeoniflorin	Paeonia lactiflora

Indicated compared with standards. The bold numbers represent the most abundant ions.