TABLE 1

Detection of Danshen catechol compounds in DanHong injection

ID	Compound	LC/TOF-MS^E Data			Molecular Mass	Molecular Formula
ID	Compound	t_R	[M−H]⁻ (m/z)	Fragmentation profile^{^a} (m/z)	Molecular Mass	Molecular Formula
		min			Da
1	Protocatechuic aldehyde	8.38	137.0241	109.0311, 108.0233^{^a}	138.0317	C₇H₆O₃
2	Protocatechuic acid	7.11	153.0191	109.0295,^{^a} 108.0221	154.0266	C₇H₆O₄
3	Caffeic acid	11.30	179.0342	135.0451,^{^a} 134.0370	180.0423	C₉H₈O₄
4	Ferulic acid	14.12	193.0505	178.0258, 134.0370,^{^a} 133.0305	194.0579	C₁₀H₁₀O₄
5	Isoferulic acid	14.75	193.0506	178.0257, 134.0373,^{^a} 133.0292	194.0579	C₁₀H₁₀O₄
6	Tanshinol	6.63	197.0455	179.0346,^{^a} 135.0454, 123.0453	198.0528	C₉H₁₀O₅
7	Salvianolic acid F	11.01	313.0718	295.0621, 269.0818,^{^a} 203.0376,159.0446	314.0790	C₁₇H₁₄O₆
8	Salvianolic acid G	15.92	339.0502	311.0565, 295.0614,^{^a} 267.0659	340.0583	C₁₈H₁₂O₇
9	Prolithospermic acid	11.67	357.0606	313.0706, 203.0349,^{^a} 159.0458	358.0689	C₁₈H₁₄O₈
10	Rosmarinic acid	16.85	359.0765	197.0453, 179.0345, 161.0242^{^a}	360.0845	C₁₈H₁₆O₈
11	Salvianic acid C	12.07	377.0869	359.0774, 197.0459,^{^a} 179.0352, 161.0237	378.0951	C₁₈H₁₈O₉
12	Salvianic acid C isomer	12.52	377.0862	359.0772, 197.0448,^{^a} 179.0355, 161.0244	378.0951	C₁₈H₁₈O₉
13	Salvianolic acid D	16.32	417.0827	373.0917, 197.0447, 179.0345, 175.0393^{^a}	418.0900	C₂₀H₁₈O₁₀
14	Isosalvianolic acid C	19.50	491.0975	311.0563,^{^a} 293.0455, 249.0556	492.1056	C₂₆H₂₀O₁₀
15	Salvianolic acid C	21.27	491.0978	311.0559, 293.0455,^{^a} 267.0663	492.1056	C₂₆H₂₀O₁₀
16	Salvianolic acid A	18.51	493.1131	313.0716, 295.0611,^{^a} 185.0246	494.1213	C₂₆H₂₂O₁₀
17	Salviaflaside	15.79	521.1292	359.0773,^{^a} 197.0453, 161.0241	522.1373	C₂₄H₂₆O₁₃
18	Lithospermic acid isomer	13.48	537.1038	493.1134, 313.0721, 295.0607^{^a}	538.1111	C₂₇H₂₂O₁₂
19	Lithospermic acid isomer	13.80	537.1030	493.1133, 313.0726, 295.0603,^{^a} 185.0249	538.1111	C₂₇H₂₂O₁₂
20	Lithospermic acid isomer	14.32	537.1039	493.1134, 313.0717, 295.0604,^{^a} 185.0244	538.1111	C₂₇H₂₂O₁₂
21	Salvianolic acid H/I	15.38	537.1031	339.0502,^{^a} 295.0617, 185.0243	538.1111	C₂₇H₂₂O₁₂
22	Lithospermic acid	16.78	537.1036	493.1141, 295.0607,^{^a} 185.0241	538.1111	C₂₇H₂₂O₁₂
23	Salvianolic acid J	17.97	537.1037	493.1142, 295.0609,^{^a} 185.0244	538.1111	C₂₇H₂₂O₁₂
24	Salvianolic acid B isomer	16.03	717.1461	519.0933,^{^a} 339.0511, 321.0408	718.1534	C₃₆H₃₀O₁₆
25	Salvianolic acid B isomer	16.36	717.1448	519.0932,^{^a} 339.0502, 321.0407	718.1534	C₃₆H₃₀O₁₆
26	Salvianolic acid B	17.41	717.1455	519.0935,^{^a} 339.0504, 321.0399	718.1534	C₃₆H₃₀O₁₆
27	Salvianolic acid E	18.18	717.1454	519.0938,^{^a} 339.0503, 321.0403	718.1534	C₃₆H₃₀O₁₆
28	4-Methoxyl salvianolic acid B	18.38	731.1599	533.1101,^{^a} 353.0676, 335.0564	732.1690	C₃₇H₃₂O₁₆

t_R, chromatographic retention time.
↵^a Product ion of base peak.