Ultra-performance liquid chromatography-quadrupole\time-of- flight mass spectrometry with multivariate statistical analysis for exploring potential chemical markers to distinguish between raw and processed Rheum palmatum

Table 1 Tentative compounds in R. Palmatum by UPLC-QTOF/MS in negative ion

Peak no.	t_R(min)	m/z experimental	m/z calculated	Tentative compounds	Molecular formula	Mass error (ppm)	Reference
S1	1.43	331.0667	331.0667	Gallic acid-3-O-glucoside	C13H15O10	0	[22]
S2	3.57	439.0883	439.0883	Aloe-emodin-glucoside derivate	C21H19O10	−1.3	[22]
S3	3.96	289.0707	289.0712	Catechin	C15H13O6	−1.7	[22]
S4	4.88	729.1470	729.1456	Catechin dimer derivate	C40H69O8	1.9	[22]
S5	6.86	441.0825	441.0822	Epicatechin-3-O-gallate	C22H17O10	0.7	[22]
S6	7.33	477.1397	477.1397	Cinnamyl-galloyl-glucoside derivative	C23H25O11	0	[23]
S7	7.50	257.0827	257.0814	Emodin-O-glucoside	C15H13O4	5.1	[23]
S8	7.71	269.0450	269.0450	Aloe-emodin	C15H10O5	0	[24, 25]
S9	7.99	451.3296	451.3271	Catechin-glucopyranoside	C21H24O11	5.5	[22]
S10	8.08	443.1345	443.1345	Catechin-glucopyranoside derivative	C23H23O9	−1.7	[23]
S11	8.62	461.1085	461.1084	Cinnamyl-galloyl-glucoside derivative	C23H25O11	0.2	[23]
S12	8.95	677.4994	677.4993	Catechin dimer derivate	C40H69O8	0.3	[22]
S13	9.28	245.0824	245.0814	Torachrysone	C14H14O4	0	[23]
S14	9.71	253.0499	253.0501	Chrysophanol	C15H9O4	−0.8	[24, 25]
S15	9.81	431.0988	431.0978	Emodin-8-O-glucoside	C21H19O10	2.3	[23]
S16	10.20	281.0814	281.0811	Chrysophanol dimethyl ether	C17H14O4	−1.1	[25]
S17	10.73	426.9665	426.9691	Rhein-1-O-(O-acetyl)-glucoside	C4H11O23	−6.1	[23]
S18	11.34	269.0446	269.0450	Emodin	C15H10O5	−1.5	[24, 25]

ISSN: 2662-7671