Comparison of the toxicities, bioactivities and chemical profiles of raw and processed Xanthii Fructus

Table 1 Compounds identified from the water extracts of XF and SBXF

Peak no.	t_R (min)	Assigned identity	Molecular	Mean measured mass (Da)	Mass accuracy (ppm)	Theoretical exact mass (Da)	Quasi-molecular ion	MS/MS m/z (ESI⁻)	Change trend after processing	References
1	1.368	1-O-caffeoylquinic acid	C₁₆H₁₈O₉	353.0866	3.51	353.0873	[M-H]⁻	191	↓	24
2	1.593	3-O-caffeoylquinic acid	C₁₆H₁₈O₉	353.0866	8.75	353.0873	[M-H]⁻	191;135	↓*	23
3^a	2.487	chlorogenic acid	C₁₆H₁₈O₉	353.0866	−1.35	353.0873	[M-H]⁻	191	↑**
4	2.546	UN	C₇H₁₂O₅	175.0612	−3.78	175.0606	[M-H]⁻		↓
5	2.763	4-O-caffeoylquinic acid	C₁₆H₁₈O₉	353.0866	−6.55	353.0873	[M-H]⁻	173;135	↑*	24
6^a	3.623	caffeic acid	C₉H₈O₄	179.0350	5.36	179.0344	[M-H]⁻		↑**	27
7	4.349	1,3-O-dicaffeoylquinic acid	C₂₅H₂₄O₁₂	515.1179	3.05	515.1190	[M-H]⁻	353;299,173	↑	25,26
8	4.985	UN	C₂₅H₂₄O₁₃	531.1144	−0.36	531.1131	[M-H]⁻		↓
9	6.028	1,4-O-dicaffeoylquinic acid	C₂₅H₂₄O₁₂	515.1195	8.85	515.1190	[M-H]⁻	353;335;179	↑	23
10^a	6.195	carboxyatractyloside	C₃₁H₄₆O₁₈S₂	769.2110	1.23	769.2047	[M-H]⁻		↓**	12, 28
11^a	6.228	1,5-O-dicaffeoylquinic acid	C₂₅H₂₄O₁₂	515.1299	−6.07	515.1190	[M-H]⁻	353;335;191	↑*	25,26
12^a	7.03	atractyloside	C₃₀H₄₆O₁₆S₂	725.2155	−0.62	725.2149	[M-H]⁻		↑**	28,29
13	7.239	UN	C₂₇H₄₆O₂₀	689.2536	−3.72	689.2490	[M-H]⁻		↓**
14	8.032	4'-desulphate-atractyloside	C₃₀H₄₆O₁₃S	645.2594	−1.05	645.2581	[M-H]⁻		↑**	29
15	8.575	UN	C₃₄H₄₄O₁₃	659.2733	−3.57	659.2691	[M-H]⁻		↑*
16	11.119	UN	C₁₉H₃₀N₄	313.2398	0.04	313.2386	[M-H]⁻		↓**

ISSN: 2662-7671