Chemical Profiling of an Antimigraine Herbal Preparation, Tianshu Capsule, Based on the Combination of HPLC, LC-DAD-MSⁿ, and LC-DAD-ESI-IT-TOF/MS Analyses

Table 1

Retention time (𝑡_𝑅), UV, and LC-MS data of the identified compounds in Tianshu Capsule and related crude materials.

Number	𝑡𝑅/min	UV 𝜆max/nm	MW	[M − H]^−	[M + H]^+	[M + NH4]^+	[M + Na]^+	[2M + Na]^+	[M + HCOO]^−	Tianma	Chuanxiong	Identified compounds
2	5.403	221, 276	286			304			331	+	−	Gastrodin
3	7.736	230, 283	126		127	144	149			+	−	5-HMF
4	15.579	225	460	459		478	483			+	−	Parishin E/G
5	20.691	221, 272	728	727		746	751			+	−	Parishin B
6	22.220	221, 274	728	727		746	751			+	−	Parishin C
8	25.080	218	242	241	243		265	507		−	+	3-Butyl-3,6,7-trihydroxy-4,5,6,7; -tetrahydrophthalide
9	25.567	220, 236, 323	194	193	195		217			+	+	ferulic acid
10	27.529	220, 330	226		227		249	475		−	+	Senkyunolide J/N
11	30.667	280	224		225		247	471		−	+	4,5-Dihydro-3,1′-dihydroxy-3; -butylphthalide
13	32.436	275	206	205	207					−	+	4-hydroxyl-3-butylphthalide
14	34.299	325	396		397					+	+	unidentified
16	38.635	220, 270	222	221	223		245			−	+	Senkyunolide D or; 4,7-dihydroxy-3-butylidenephthalide
17	39.502	230, 310	206	205	207		229		435	−	+	𝑍-6,7-Epoxyligustilide
18	39.898	280	208	207	209		231		439	−	+	Senkyunolide K/G
19	41.465	220	206	205	207		229		435	−	+	Senkyunolide F
20	42.332	220, 240, 325	192		193		215	407		+	+	Senkyunolide A
21	42.956	226, 280	190		191	208	213	403		−	+	Butylphthalide
22	43.717	218, 270	204	203	205		227	431	249	−	+	Senkyunolide C
23	44.147	210, 285, 330	204	203	205		227	431	249	−	+	Senkyunolide E
24	44.949	220, 270, 330	194		195		217	411		−	+	Cnidilide
26	45.831	205, 280, 328	190		191		213	403		−	+	Ligustilide
27	46.394	220	194		195		217	411		−	+	Neocnidilide
28	46.653	210, 275, 330	188		189	206	211	399		−	+	3-Butylidenephthalide
29	47.231	225, 280, 310	380		381	398	403			−	+	Riligustilide
30	50.042	276	382		383	399	405			−	+	Senkyunolide P
31	50.476	220, 280	380		381	398	403			−	+	3′,6,8′,3a-Biligustilide
32	50.970	220, 280	380		381	398	403			−	+	Tokinolide B
33	51.065	230, 279	382		383	400	405			−	+	Unidentified
34	51.962	220, 275	380		381		403			−	+	Levistolide A
35	52.267	220, 285	380		381					−	+	3′𝑍-3,3′a,8,6′a-Biligustilide
36	52.693	220, 280	278		279	301	579			−	+	Senkyunolide M
37	53.134	220, 280	278		279	301	579			−	+	Senkyunolide Q
38	53.852	225, 278	382		383	400	405	383		−	+	Unidentified