Establishment of Hairy Root Cultures of Rhaponticum carthamoides (Willd.) Iljin for the Production of Biomass and Caffeic Acid Derivatives

Table 3

UPLC-PDA-ESI-MS³ data of detected and identified polyphenols in hairy roots and in the roots of soil-grown plant extracts of R. carthamoides.

Number	Compound	(min)	UV (nm)	[M–H]^−	MS^2 ions	MS^3 ions
1	3-O-Caffeoylquinic acid	6.6	294sh, 325	353	191^b, 179, 135	—
2	5-O-Caffeoylquinic acid^a	10.9	294sh, 325	353	, 179, 135	171^b, 127, 85^b
3	4-O-Caffeoylquinic acid	12.9	294sh, 325	353	191, 179, 173^b	—
4	1,3-Di-O-caffeoylquinic acid^a	19.4	294sh, 328	515	, 335, 191, 179	191^b, 179, 135
5	Quercetagetin hexoside	22.4	259, 356	479	385, 317^b	—
6	Quercetin hexoside	25.1	253, 365	463		179^b, 151
7	Quercetin hexoside	26.5	254, 368	463	301^b	179^b, 151
8	20-Hydroxyecdysone^a	27.4	247	479, 525^c	479^b	—
9	Luteolin hexoside	28.0	255, 349	447		241^b, 223, 213, 175, 151
10	Patuletin hexoside	28.6	254, 365	493	, 316	316^b, 287
11	3,4-Di-O-caffeoylquinic acid	31.9	294sh, 325	515	, 335, 317, 299, 203	191, 179, 173^b
12	3,5-Di-O-caffeoylquinic acid	32.5	294sh, 328	515	, 191	191^b, 179
13	1,5-Di-O-caffeoylquinic acid	33.0	294sh, 328	515	, 191	191^b, 179
14	4,5-Di-O-caffeoylquinic acid	36.2	294sh, 328	515	, 335, 299, 255, 203, 173	191, 179, 173^b
15	1,4,5-Tri-O-caffeoylquinic acid	40.4	294sh, 325	677	515^b, 497, 353, 335	353^b, 335, 191, 179
16	Tricaffeoylquinic acid derivative	43.0	294sh, 327	793	, 613, 515, 498, 469	515, 469^b, 353
17	Tricaffeoylquinic acid derivative	45.2	294sh, 329	793	, 469, 353	469^b, 353

Identified by the reference standard.
^bBase peak. Bold-ions were subjected to MS³ fragmentation.
^c[M + HCOO]⁻.