Table 1.

The list of tentatively identified components of the investigated aerial parts and roots of P. scutellarioides extracts by HPLC-ESI-QTOF-MS/MS.

No.	Ion.+/−	Rt (min)	Molecular Formula	m/z Theoretical	m/z Experimental	Error	DBE	MS/MS Spectrum	Proposed Compound	Root	Aerial Part
1	-	6.1	C15H12O6	287.0561	287.0565	−1.35	10	ND	Eriodyctiol	++	++
2	-	7.5	C8H14O4	173.0455	173.0468	−7.2	3	155, 130, 111	Propylglutaric acid	+++	+++
3	-	11.5	C24H32O10	479.1923	479.1952	−6.1	9	ND	6,11,12,14,16-Pentahydroxy-3,17diacetyl-8,11,13-abietatrien-7-one	++	++
4	-	12.2	C8H8O4	167.035	167.0363	−7.84	5	149, 123, 121, 109	Vanillic acid	+++	+++
5	-	12.3	C24H30O10	477.1766	477.1732	7.15	10	ND	6,11,12,14,16-Pentahydroxy-3,17-diacetyl5,8,11,13-abietatetraen-7-one	++	++
6	-	12.3	C9H10O5	197.0455	197.0470	−7.34	5	179, 135, 123	Syringic acid	+++	+++
7	-	12.9	C16H18O9	353.0878	353.0903	−7.04	8	ND	Chlorogenic acid	++	+++
8	-	13.1	C7H6O4	153.0193	153.0200	−4.34	5	123, 109	Dihydroxybenzoic acid	+++	+++
9	-	13.7	C22H28O8	419.1711	419.1673	9.14	9	ND	3,6,12-Trihydroxy-2-acetyl-8,12-abietadien7,11,14-trione	+	+
10	-	15.1	C7H6O3	137.0244	137.0245	−0.6	5	108	Hydroxybenzoic acid	++	+++
11	-	17.2	C18H16O8	359.0772	359.0780	−2.11	11	179, 135	Rosmarinic acid isomer	+	+++
12	-	17.8	C9H8O4	179.0350	179.0361	−9.21	6	135	Caffeic acid	++	+++
13	-	19.3	C9H8O3	163.0401	163.0413	−7.51	6	119, 108	Coumaric acid	+	++
14	-	20.9	C18H16O8	359.0772	359.0788	−433	11	197, 161, 135	Rosmarinic acid	++	+++
15	-	21.1	C10H10O4	193.0506	193.0492	7.38	6	178, 161, 134	Ferulic acid	+++	+++
16	-	22.3	C17H14O6	313.0718	313.0708	3.06	11	293, 194, 161	Cirsimaritin	+++	+++

Rt—retention time, DBE—double bond and ring number, error—error of m/z measurement, +—peak area of 1 × 10⁵–1 × 10⁶, ++—peak area of 1 × 10⁶–1 × 10⁷, +++—peak area higher than 1 × 10⁷, ND—no data.