Exploring Chemical Basis of Toxicity Reduction for Processed Roots of Stellera chamaejasme L. Using Ultraperformance Liquid Chromatography–Triple Quadrupole Tandem Mass Spectrometry

Table 1

Identification of compounds in ruixianglangdu.

	(min)	Parent ion; [M+H] or [M-H]; (m/z)	Molecular formula	Fragmentation profile (m/z); (Relative abundance %)	Identification
Flavonoids (parent ions: [M+H])
1	4.81	437.1		275.2, 257.2, 149.0, 139.0 (100%), 107.0	Epiafzelechin-7-O- gluconoside
2	5.85	705.2		543.1 (100%)	Isochamaejasmine/ Chamaejasmine/ Neochamaejasmine A/ Neochamaejasmine B-7-O- gluconoside
3	6.41	275.1		257.2 (100%), 139.0	Epiafzelechin
4	6.63	705.2		543.2 (100%), 527.1, 311.2	Same as no. 2
5	9.84	545.1		527.2, 409.1 (100%), 283.2, 153.0	Naringenin-epiafzelechin or Naringenin-afzelechin
6	10.48	545.1		527.2, 409.1 (100%), 283.2, 153.0	Same as no. 5
7	12.13	341.1		323.2 (100%), 291.1, 271.2, 187.2, 137.0	8-Prenylnaringenin
8	14.83	543.1		345.1, 199.2 (100%)	Chamaechromone
9	15.38	543.1		449.0, 391.1, 311.2, 199.1, 153.0 (100%)	Neochamaejasmine A
10	17.19	543.1		449.0, 417.2, 391.1, 311.2, 231.1, 199.2, 153.0 (100%)	Neochamaejasmine B
11	19.47	543.1		449.0, 417.2, 391.1, 311.2, 153.0 (100%)	Chamaejasmine
12	20.04	543.1		449.0, 417.2, 391.1, 311.2, 153.0 (100%)	Isochamaejasmine
13	21.35	557.1		449.0, 153.0 (100%)	7-Methoxylneochaejasmin A
14	27.63	571.2		463.1, 445.1, 419.2 (100%), 355.1, 337.2, 245.2, 227.3	Chamaejasmenin A
Coumarins (parent ions of compounds 15, 16 and 19: [M+H], parent ions of compounds 17 and 18: [M-H])
15	4.81	193.1		161.0 (100%), 133.0, 115.0, 105.0, 76.5	Scopoletin
16	4.89	325.1		280.2, 163.0 (100%), 119.0, 107.0	Umbelliferone glucoside
17	5.85	177.0		149.0 (100%), 133.0, 121.1, 105.1, 93.0, 77.0	Daphnetin
18	7.88	161.0		133.1 (100%), 117.0, 105.1, 89.0, 77.0	Umbelliferone
19	14.44	353.1		338.2, 267.1, 251.2, 179.2 (100%)	Daphnoretin
Lignanoids (parent ions of compounds 25-27: [M+H], parent ions of compounds 20-24: [M-H])
20	6.21	521.2		359.2 (100%), 159.1	Isolariciresinol-4’-O- glucoside
21	7.46	523.2		361.3 (100%), 165.2, 136.2	Secoisolariciresinol-4-O- glucoside
22	7.98	521.2		359.2, 329.3 (100%),178.1	Isolariciresinol-9-O- glucoside
23	8.41	523.2		361.3 (100%), 313.2	Secoisolariciresinol-9-O- glucoside
24	9.69	519.2		357.2 (100%)	Pinoresinol-4-O-glucoside
25	11.64	401.2		383.2, 217.2, 207.2, 167.2, 135.0(100%)	Aschantin
26	11.76	419.2		401.1, 387.1, 236.1 (100%), 182.1	Syringaresinol
27	13.42	359.1		341.2, 323.2, 311.2, 137.0 (100%)	Pinoresinol
Amino acids (parent ions: [M+H])
28	0.92	148.1		130.0 (100%), 102.0	Glutamic acid
29	1.99	182.1		165.0 (100%), 147.0, 136.0, 123.0	Tyrosine
30	2.05	132.1		86.0 (100%)	Isoleucine
31	2.21	132.1		114.0, 86.0 (100%)	Leucine
32	3.05	166.1		149.0, 120.0 (100%), 103.0	Phenylalanine
Diterpenoids (parent ions: [M-H])
33	7.18	613.3		567.2, 405.2, 309.2, 179.0 (100%), 119.2, 113.0	Stelleramacrin B

a: The compounds isolated from ruixianglangdu are marked with .