. 2014 Jul 20;2014:580745. doi: 10.1155/2014/580745

Table 2.

Retention time (t _R), UV, and MSⁿ data obtained by LC-DAD-ESI-IT-MSⁿ of the identified compounds in Tianshu Capsule.

Number	t _R/min	Identified compounds	UV λ _max⁡/nm	[M + Na]⁺	[M + H]⁺	[2M + Na]⁺	Main product ions	[M − H]⁻	[M + HCOO]⁻	Main product ions
1	6.3	Gastrodin glucose (448)	221, 276	471				447	493	323[M – H-C₇H₈O₂]⁻, 285[M – H-glc]⁻, 179
2	6.3	Gastrodin (286)	220, 269	309			185[M + Na-C₇H₈O₂]⁺	285	331	161[M – H-C₇H₈O₂]⁻, 123[M – H-glc]⁻
3	8.1	5-HMF (126)	230, 283		127		109[M + H-H₂O]⁺	125
5	20.3	Parishin B (728)	221, 272	751			483[M + Na-268]⁺, 215[483-268]⁺	727		459, 441, 423, 397, 379, 217
6	21.8	Parishin C (728)	221, 274	751			483[M + Na-268]⁺, 215[483-268]⁺	727		459, 441, 423, 397, 379, 217
7	23.4	Parishin (996)	221, 271					995		727[M – H-268]⁻
9	26.0	Ferulic acid (194)	220, 236, 323		195		177[M + H-H₂O]⁺, 145[177-CH₃OH]⁺
10	27.4	Senkyunolide J/N (226)	220, 330	249		475	209[M + H-H₂O]⁺, 191[M + H-2H₂O]⁺, 163[M + H-2H₂O-28]⁺
11	30.4	4,5-Dihydro-3,1′-dihydroxy -3-butylphthalide (224)	280	247			207[M + H-H₂O]⁺, 189[M + H-2H₂O]⁺, 165, 121
12	31.6	Senkyunolide I/H (224)	276	247			207[M + H-H₂O]⁺, 189[M + H-2H₂O]⁺, 161[189-H₂O]⁺, 133[189-56]⁺
15	37.0	Unidentified (316)	230, 276, 280	339	317		299[M + H-H₂O]⁺, 281[M + H-2H₂O]⁺, 271[M + H-H₂O-28]⁺, 243	315
17	37.8	Z-6,7-Epoxyligustilide (206)	230	229		413	189[M + Na-H₂O]⁺, 171[189-H₂O]⁺
18	38.1	Senkyunolide K/G (208)	233, 280	231		439	191[M + H-H₂O]⁺, 173[191 − H₂O]⁺, 149[191-42]⁺, 135[191-56]⁺
20	40.2	Senkyunolide A (192)	280	215	193	407	175[M + H-H₂O]⁺, 147, 119, 105
21	40.7	Butylphthalide (190)	232, 275	213	191	403	173[M + H-H₂O]⁺, 145, 117
24	42.6	Cnidilide (194)	238, 279, 327	217
25	43.3	E-Ligustilide (190)	281, 327	213	191	403	173[M + H-H₂O]⁺, 130
26	43.5	Z-Ligustilide (190)	237, 260, 312	213	191	403	173[M + H-H₂O]⁺, 145[173-28]⁺ 130, 117, 105
28	44.0	3-Butylidenephthalide (188)	230, 277, 326	211	189		171[M + H-H₂O]⁺, 153[171-H₂O]⁺
29	47.4	Riligustilide (380)	275	403	381		213[2M + Na-190]⁺, 191, 173
30	47.5	Senkyunolide P (382)	278	405	383		192[M + H-190]⁺
31	47.8	3′,6,8′,3a-Biligustilide (380)	278, 363	403	381		213[2M + Na-190]⁺, 191[M + H-190]⁺, 145, 117
32	48.0	Tokinolide B (380)	278	403	381		213[2M + Na-190]⁺, 191[M + H-190]⁺
33	48.2	Unidentified (382)	230, 279	405	383		193[M + H-190]⁺
34	48.5	Levistolide A (380)	276	403	381		213[2M + Na-190]⁺, 191[M + H-190]⁺, 145, 117
35	48.8	Senkyunolide O (380)	278	403	381		173[191-H₂O]⁺, 191[M + H-190]⁺, 145, 117
36	49.0	Senkyunolide M (278)	279	301	279		245[M + Na-56]⁺, 189, 171
37	49.4	Senkyunolide Q (278)	278	301	279		245[M + Na-56]⁺, 189, 171
38	49.9	Unidentified (382)	225, 278	405	383