Qualitative and Quantitative Analysis of Eclipta prostrata L. by LC/MS

Table 2

Characterization of compounds from E. prostrata by UHPLC-DAD-Q-TOF.

Number	RT (min)	UV (nm)	Formula	(experimental)	Error (ppm)	Product ions (, relative abundance, diagnostic ions)	Structural elucidation
1	10.93	228, 254, 350	C21H20O11	447.0949 [M–H]^−	−3.66	285.0381 (100) [Y0]	Luteolin-7-O--D-glucoside
2	14.13	230, 289, 330	C9H10O4	181.0514 [M–H]^−	−4.30	108.0256 (100) [M-CO2-C2H5]	3,4-Dihydroxy-benzoic acid ethyl ester
3	14.53	226, 254, 350	C15H10O9S	364.9990 [M–H]^−	−4.80	285.0385 (100) [Y0]	Luteolin sulfate
4	16.70	228, 268, 340	C15H10O8S	349.0034 [M–H]^−	−3.08	269.0434 (100) [Y0]	Apigenin sulfate
5	17.45	246, 350	C15H10O6	285.0409 [M–H]^−	−1.48	175.0378 (10) [^0,4B-2H]	Luteolin
						133.0277 (100) [^1,3B]
						107.0128 (20) [^0,4A]
6	18.31	228, 260	C16H10O7	313.0363 [M–H]^−	−3.04	298.0112 (100) [M-CH3]	Wedelolactone
						270.0158 (20) [M-CH3-CO]
						242.0212 (10) [M-CH3-2CO]
7	18.81	245	C22H22O11	461.1094 [M–H]^−	−0.92	299.0573 (100) [Y0]	7-O-Methylorobol-4^′-O--D-glucoside
						284.0336 (80) [Y0-CH3]
8	21.61	228, 267, 340	C15H10O5	269.0451 [M–H]^−	1.69	159.0431 (30) [^0,4B-2H]	Apigenin
						117.0332 (100) [^1,3B]; 107.0131 (24) [^0,4A]
9	22.32	270, 328, 350	C16H12O6	299.0556 [M–H]^−	1.77	284.0330 (100) [M-CH3]	3^′-Hydroxybiochanin A
						256.0372 (40) [M-CH3-CO]
						255.0303 (50) [M-CH2-CO-H2]
						239.0350 (18) [M-CH4O-CO]
						227.0353 (67) [M-CH2-2CO-H2]
						211.0402 (29) [M-CH4O-2CO]
10	22.32	210	C48H78O19	957.5055 M–H]^−; (CE 35)	0.91	837.4584 (4) []	Eclalbasaponin III
						795.4470 (100) []
						733.4425 (1) [-H2O-CO2]
						633.3962 (1) [-glc]
				957.5055 M–H]^−; (CE 70)	0.91	795.4489 (50) []
						733.4421 (4) [-H2O-CO2]
						633.3951 (22) [-glc]
						471.3486 (10) [-2glc]
						161.0449 (31) []
						113.0237 (62) [-CH2O-H2O]
						101.0243 (100) [M--H2O]
				1003.5110 [M + HCOO]^−; (CE 35)	1.10	837.4583 (6) []
						795.4481 (100) []
						733.4424 (1) [-H2O-CO2]
						633.3934 (1) [-glc]
				1003.5110 [M + HCOO]^−; (CE 70)	1.10	795.4496 (100) []
						733.4477 (8) [-H2O-CO2]
						633.3968 (32) [-glc]
						615.3851 (6) [-glc-H2O]
						571.3985 (5) [-glc-H2O-CO2]
						471.3447 (10) [-2glc]
						161.0444 (36) []
						113.0239 (56) [-CH2O-H2O]
						101.0240 (89) [M--H2O]
11	25.75	210	C42H68O14	841.4590 [M + HCOO]^−; (CE 35)	0.19	675.4077 (4) []	Ecliptasaponin C
						633.3986 (100) []
				841.4590 [M + HCOO]^−; (CE 70)	0.19	633.3990 (54) []
						587.3935 (13) [-HCOOH]
						407.3315 (1) [-HCOOH-H2O]
						161.0448 (10) []
						113.0243 (43) [-CH2O-H2O]
						101.0246 (100) [M--H2O]
12	30.27	210	C42H68O17S	875.4116 [M–H]^−; (CE 35)	−1.28	875.4062 (100) [M–H]	Eclalbasaponin VI
						713.3533 (3) []
				875.4116 [M–H]^−; (CE 70)	−1.28	875.4063 (16) [M–H]
						713.3551 (100) []
						651.3543 (2) [-H2O-CO2]
						241.0013 (21) []
13	34.04	210	C42H68O14	795.4550 [M–H]^−; (CE 35)	−1.77	795.4491 (100) [M–H]	Eclalbasaponin IV
						733.4492 (4) [M–H-H2O-CO2]
						633.3971 (16) []
						471.3453 (3) []
				795.4550 [M–H]^−; (CE 70)	−1.77	795.4509 (5) [M–H]
						633.4065 (4) []
						615.3855 (3) [-H2O]
						471.3446 (16) []
						407.3301 (31) [-HCOOH-H2O]
						161.0431 (10) []
						113.0234 (57) [-CH2O-H2O]
						101.0237 (100) [M--H2O]
				841.4605 [M + HCOO]^−; (CE 35)	−1.79	795.4495 (100) [M–H]
						733.4480 (2) [M–H-H2O-CO2]
						633.3971 (5) []
						471.3432 (1) []
				841.4605 [M + HCOO]^−; (CE 70)	−1.79	795.4476 (7) [M–H]
						633.3989 (12) []
						615.3834 (2) [-H2O]
						471.3439 (20) []
						407.3295 (18) [-HCOOH-H2O]
						161.0450 (11) []
						113.0236 (54) [-CH2O-H2O]
						101.0241 (100) [M--H2O]
14	37.60	210	C36H58O9	633.4023 M–H]^−; (CE 35)	−0.19	633.3985 (100) [M–H]	Eclalbasaponin A
						587.3922 (4) [M–H-HCOOH]
						571.3966 (1) [M–H-H2O-CO2]
				633.4023 M–H]^−; (CE 70)	−0.19	587.3916 (3) [M–H-HCOOH]
						585.3706 (5) [M–H-HCOOH-H2]
						407.3281 (12) [-HCOOH-H2O]
						161.0434 (1) []
						113.0235 (32) [-CH2O-H2O]
						101.0241 (100) [M--H2O]
15	36.79	210	C36H58O12S	713.3582 [M–H]^−; (CE 35)	−0.77	713.3545 (100) [M–H]	Eclalbasaponin V
				713.3582 M–H]^−; (CE 70)	−0.77	713.3544 (62) [M–H]
						683.3073 (17) [M–H-CO-2H]
						651.3541 (10) [M–H-H2O-CO2]
						471.3464 (1) []
						407.3306 (3) [-HCOOH-H2O]
						241.0007 (100) []
						113.0234 (7) [-CH2O-H2O]
						101.0241 (10) [M--H2O]
16	41.86	210	C36H58O9	679.4053 [M + HCOO]^−; (CE 35)	1.59	471.3430 (100) []	Echinocystic acid 28-O--D-glucopyranoside
						407.3280 (3) [-HCOOH-H2O]
				679.4053 [M + HCOO]^−; (CE 70)	1.59	471.3393 (18) []
						425.3376 (11) [-HCOOH]
						407.3301 (100) [-HCOOH-H2O]
						391.2945 (12) [-CO2-2H2O]
17	44.61	210	C30H48O4	471.3470 M–H]^−; (CE 35)	2.06	471.3439 (84) [M–H]	Echinocystic acid
						407.3281 (100) [M–H-HCOOH-H2O]
						425.3407 (10) [M–H-HCOOH]
18	44.75	210	C30H46O4	469.3311 M–H]^−; (CE 35)	2.51	469.3283 (9) [M–H]	3-Oxo-16-hydroxy-olean-12-en-28-oic acid
						423.3222 (1) [M–H-HCOOH]
						407.3296 (100) [M–H-HCOOH-H2O]