Table 1.

UHPLC-QTOF-MS data of the top ten characteristic compounds in positive and negative ion modes in QDD.

Ion mode	Compound	Description	m z	Retention time min	Peak area
LQ_POS_ZY	0.64_689.2103 m/z	Stachyose	689.2103345	0.64	20417.82129
	1.74_284.0997 m/z	Guanosine	284.0996836	1.74	14175.53299
	6.91_287.0915 m/z	Licochalcone B	287.0915366	6.91	12850.11229
	8.05_271.0604 m/z	1,3,7-Trihydroxyxanthone1,3,7	271.0604064	8.05	12706.96377
	10.29_311.1276 m/z	Przewaquinone A	311.127614	10.29	10645.50401
	10.13_355.1175 m/z	Gancaonin O	355.1174624	10.13	8781.311916
	11.69_369.1329 m/z	Isoanhydroicaritin	369.1329317	11.69	8437.337111
	10.65_421.3427 m/z	24-Methylene cholesterol	421.3426773	10.65	7804.841081
	5.79_322.1071 m/z	Berberrubine	322.1070792	5.79	7758.648431
	10.68_340.1310n	Blepharolide B	341.1383244	10.68	6606.969026
LQ_NEG_ZY	12.60_371.1841 m/z	Bractealine	371.1840518	12.6	69876.02422
	7.34_507.1486 m/z	Methylnissolin 3-O-glucoside	507.1485894	7.34	23292.95722
	0.92_128.0352 m/z	DL-pyroglutamic AcidDL	128.0351933	0.92	20225.60517
	9.11_991.5100 m/z	Astragaloside VII	991.5100135	9.11	10131.05636
	5.01_491.1165 m/z	Trifolirhizin	491.1165194	5.01	6713.12874
	7.59_464.1660n	Isomucronulator 7-O-glucoside	463.1586828	7.59	3745.445526
	2.75_137.0243 m/z	3,4-Dihydroxybenzaldehyde3,4	137.0242675	2.75	3442.410965
	8.14_271.0598 m/z	Naringenin chalcone	271.0597629	8.14	3325.567429
	6.68_717.1441 m/z	Yunnaneic acid G	717.1441306	6.68	3177.791167
	10.24_331.1536 m/z	Danshenspiroketallactone	331.1535521	10.24	2661.880148