Table 2.

Characterization of components in XYC by UHPLC Q/Exactive HFX MS.

No.	Metabolite	Formula	Rt/min	Mass Error (ppm)	m/z	Mode	Adducts	Pubchem_ID	Class
1	Parishin E	C19H24O13	4.06	−1.25	459.11	neg	M-H	91,973,797	Organooxygen compounds
2	Salvianolic acid A	C26H22O10	6.71	−1.51	493.11	neg	M-H, 2 M-H	5,281,793	Stilbenes
3	4-Hydroxyphenylpyruvic acid	C9H8O4	2.08	1.18	197.05	neg	M-H, M-H + H2O	979	Benzene and substituted derivatives
4	Danshensu	C9H10O5	2.08	−2.26	395.10	neg	2 M-H	11,600,642	Phenylpropanoic acids
5	Citric acid	C6H8O7	0.95	−1.85	191.02	neg	M-H
6	Parishin C	C32H40O19	4.94	−0.76	727.21	neg	M-H	10,676,408	Organooxygen compounds
7	3-Furfuryl 2-pyrrolecarboxylate	C10H9NO3	2.23	−2.15	236.06	neg	M + HCOO	189,695	Pyrroles
8	Cryptochlorogenic acid	C16H18O9	3.62	−1.77	353.09	neg	M-H	9,798,666	Organooxygen compounds
9	Licoricesaponin G2	C42H62O17	8.04	−0.89	837.39	neg	M-H	14,891,565	Prenol lipids
10	Neoagarobiose	C12H20O10	1.08	−2.19	323.10	neg	M-H, 2 M-H	54,758,702	Organooxygen compounds
11	Dihydroobovatin	C20H20O4	5.16	−0.81	342.17	pos	M + NH4	73,554,083	Flavonoids
12	glycocholic acid	C26H43NO6	8.16	−0.79	430.29	pos	M + H-2H2O, M + H, M + Na, 2 M + H, M + K, M + H-H2O, M + NH4	10,140	Steroids and steroid derivatives
13	Hirsuteine	C22H26N2O3	7.65	−0.83	367.20	pos	M + H
14	Maltol	C6H6O3	1.98	−4.81	145.05	pos	M + H2O + H	8,369	Pyrans
15	Corynoxeine	C22H26N2O4	6.55	−1.11	383.20	pos	M + H	10,475,115	Indolizidines
16	Hypoxanthine	C5H4N4O	1.20	−3.82	136.06	pos	M + NH4-H2O	135,398,638	Imidazopyrimidines
17	Octadecyl caffeate	C27H44O4	11.22	−2.00	496.34	pos	M + CH3CN + Na	5,320,237	Cinnamic acids and derivatives
18	Allo-Yohimbine	C21H26N2O3	7.26	−1.01	355.20	pos	M + H
19	8-Acetyl-7-Hydroxycoumarin	C11H8O4	7.43	7.51	309.09	pos	M + 2CH3CN + Na	5,411,574	Coumarins and derivatives
20	Citrulline	C6H13N3O3	1.00	−0.30	158.09	pos	M + H-H2O	9,750	Carboxylic acids and derivatives