. 2023 Nov 5;28(21):7439. doi: 10.3390/molecules28217439

Table 1.

Composition of methanolic (PM) and aqueous (PW) extracts of P. incisa. Compounds were listed in order of LC-MS elution. All mass peaks are [M + H]⁺ adducts.

No.	Family	Retention Time (min)	Measured m/z	Molecular Formula	Fragment	Fragment Formula	Fragment Ion (m/z)	Δppm	Identification	PM	PW
1	Amino acid derivative	1.30	294.1545	C₁₂H₂₃O₇N	[M-H₂O + H]⁺ [M-2H₂O + H]⁺ [M-CHO₂ + H]⁺	C₁₂H₂₂O₆N C₁₂H₂₀O₅N C₁₁H₂₂O₅N	276.1443 258.1342 248.1494	0.674 2.521 0.527	N-Fructosyl (iso)leucine	X	X
2	Amino acid derivative	2.10	166.0862	C₉H₁₁O₂N	[M-NH₂ + H]⁺ [M-CHO₂ + H]⁺	C₉H₉O₂ C₈H₁₀N	149.0594 120.0806	−1.919 −1.798	L-Phenylalanine	X	X
3	Phenolic acid	7.10	355.1019	C₁₆H₁₈O₉	[M-H₂O + H]⁺ [M-C₇H₁₂O₆ + H]⁺ [M-C₇H₁₂O₆-CO-H₂O + H]⁺	C₁₆H₁₇O₈ C₉H₇O₃ C₈H₅O	337.0926 163.0391 117.0335	2.362 0.855 −0.097	Chlorogenic acid	X	X
4	α-β-Unsaturated γ-lactone	7.52	199.1328	C₁₁H₁₈O₃	[M-H₂O + H]⁺ [M-2H₂O + H]⁺	C₁₁H₁₇O₂ C₁₁H₁₅O	181.1221 163.1104	−1.139 −8.225	(−)-Hydroxydihydrobovolide	X	X
5	Phenolic acid	7.65	339.0926	C₁₆H₁₈O₈	[M-C₇H₁₂O₆ + H]⁺ [M-C₇H₁₂O₆-CO + H]⁺	C₉H₇O₂ C₈ H₇O	147.0438 119.0484	−1.469 −6.144	O-Coumaroylquinic acid	X	X
6	Phenolic acid	7.82	369.1042	C₁₇H₂₀O₉	[M-C₇H₁₂O₆ + H]⁺ [M-C₇H₁₂O₆-CH₃O + H]⁺	C₁₀H₉O₃ C₉ H₅O₂	177.0545 145.0285	−0.569 0.648	Feruloylquinic acid	X
7	Unsaturated ketone	8.12	169.1222	C₁₀H₁₆O₂	[M-H₂O + H]⁺ [M-H₂O-C₃H₆ + H]⁺	C₁₀H₁₅O C₇H₉O	151.1108 109.0658	−6.496 9.522	8-Hydroxycarvotanacetone	X	X
8	Flavonoid	8.30	465.1020	C₂₁H₂₀O₁₂	[M-H₂O + H]⁺ [M-C₆H₁₂O₆ + H]⁺	C₂₁H₁₉O₁₁ C₁₅H₁₁O₇	447.0923 303.0497	0.363 −0.723	Isoquercetin (quercetin 3-O-β-D-glucoside)	X
9	Phenolic acid	8.80	517.1329	C₂₅H₂₄O₁₂	[M-H₂O + H]⁺ [M-C₉H₇O₃ + H]⁺ [M-C₉H₇O₃-C₇H₁₂O₆ + H]⁺	C₂₅H₂₃O₁₁ C₁₆H₁₉O₉ C₉H₇O₃	499.1230 355.1027 163.0388	−1.058 0.849 −0.740	(−)-3,5-Dicaffeoylquinic acid	X	X
10	Sesquiterpene hydrocarbon	9.74	203.1792	C₁₅H₂₂	[M-CH(CH3)₂ + H]⁺ [M-CH(CH3)₂-CH₃ + H]⁺	C₁₂H₁₇ C₁₁H₁₅	161.1325 147.1165	0.080 −1.883	Calamenene	X	X
11	Flavonoid	11.12	317.0652	C₁₆H₁₂O₇	[M-H₂O + H]⁺ [M-C₆H₄O₂ + H]⁺ [M-C₆H₄O₂-H₂O + H]⁺	C₁₆H₁₁O₆ C₁₀H₉O₅ C₁₀H₇O₄	299.0550 209.0448 191.0336	0.018 1.771 −1.493	Rhamnetin	X	X
12	Flavonoid	11.35	331.0806	C₁₇H₁₄O₇	[M-CH₃ + H]⁺ [M-CH₃-H₂O + H]⁺	C₁₆H₁₂O₇ C₁₆H₁₁O₆	316.0573 299.0568	−1.310 6.138	Quercetin dimethyl ether	X	X
13	Flavonoid	11.77	287.0912	C₁₆H₁₄O₅	[M-H₂O + H]⁺ [M-C₈H₆O + H]⁺	C₁₆H₁₃O₄ C₈H₇O₄	269.0801 167.0338	−2.584 −0.151	Sakuranetin	X
14	Flavonoid	11.95	301.0705	C₁₆H₁₂O₆	[M-CH₃ + H]⁺	C₁₅H₁₀O₆	286.0784	1.324	Chrysoeriol	X	X
15	Flavonoid	12.25	315.0864	C₁₇H₁₄O₆	[M-CH₃ + H]⁺	C₁₆H₁₂O₆	300.0630	0.501	Dihydroxy–dimethoxyflavone	X	X
16	Flavonoid	12.32	345.0969	C₁₈H₁₆O₇	[M-CH₃ + H]⁺ [M-2CH₃ + H]⁺	C₁₇H₁₄ O₇ C₁₆H₁₁O₇	330.0733 315.0509	−0.316 3.177	Dihydroxy–trimethoxyflavone	X	X
17	Benzofuran dimer	13.15	451.1380	C₂₅H₂₂O₈	[M-CH₂OH-H₂O + H]⁺	C₂₄H₁₈O₆	402.3573	−1.057	1-[9-(6-Acetyl-5-hydroxy-2-benzofuranyl)-6,7,8,9-tetrahydro-2,6-dihydroxy-6-(hydroxymethyl)-3-dibenzofuranyl] ethanone	X