Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution

Table 1

Identification and quantification of the volatile chemical constituents in main root and leaf of Agrimonia eupatoria.

Series no.	Retention time (min)		Compound name	Molecule structure	Relative content (%)
	𝐗1^a	𝐗2^b
1	4.639	4.612	α-Pinene	C10H16	8.31
2	4.853	—	Hexanal	C6H12O	0.05
3	5.172	5.123	β-Pinene	C10H16	1.27
4	5.368	5.322	Camphene	C10H16	3.21
5	5.714	5.692	3-Octanol	C10H18O	0.27
6	6.032	5.971	Cymene	C10H14	0.18
7	6.354	6.289	D-Limonene	C10H16	1.29
8	6.632	6.617	Eucalyptol	C10H18O	3.26
9	7.290	7.195	α-trans-Ocimene	C10H16	0.51
10	7.572	7.547	Linalool	C10H18O	5.72
11	8.157	8.093	α-Campholenal	C10H16O	0.72
12	8.682	8.631	L-Camphor	C10H16O	2.11
13	9.104	—	Borneol	C10H18O	0.07
14	10.241	10.196	4-Terpineol	C10H18O	1.47
15	10.473	10.432	α-Terpineol	C10H18O	4.21
16	10.761	—	p-Menth-1-en-4-ol	C10H18O	0.06
17	10.941	10.906	Pulegone	C10H16O	0.17
18	11.417	—	3,4-Dimethylbenzaldehyde	C9H10O	0.41
19	11.472	11.427	2,4-Dimethylbenzaldehyde	C9H10O	0.72
20	11.576	11.512	2-Cyclopropylidene-1,7,7-trimethyl-bicyolo[2,2,1]heptane	C13H20	0.52
21	11.712	11.621	1-(2-Furyl)-1-hexanone	C10H14O2	4.87
22	11.801	11.762	Bergamot oil	C12H20O2	1.42
23	12.129	—	Nonanoic acid	C9H18O2	0.06
24	12.374	12.327	2-Methyl-4-hydroxyacetophenone	C9H20O2	0.10
25	12.871	12.821	Thymol	C10H14O	0.82
26	12.902	—	Carvacrol	C10H14O	0.44
27	13.914	13.865	Anethole	C10H12O	0.07
28	14.265	14.211	Bornyl acetate	C12H20O2	3.72
29	14.794	14.738	Neryl acetate	C12H20O2	0.47
30	14.917	14.872	Geraniol acetate	C12H20O2	0.61
31	15.504	—	Furan,2,5-dibutyl-	C12H20O	0.04
32	15.765	15.718	Decanoic acid	C10H20O2	0.06
33	16.020	15.951	Eugenol methyl ether	C11H14O2	0.52
34	16.812	16.762	α-Cedrene	C15H24	2.87
35	17.059	17.012	α-Longipinene	C15H24	1.42
36	17.215	17.153	Caryophyllene	C15H24	0.81
37	17.475	—	β-Cedrene	C15H24	0.14
38	18.176	18.093	Geranyl acetone	C13H22O	0.84
39	19.721	—	Copaene	C15H24	0.05
40	20.305	20.242	Longofolene	C15H24	0.11
41	20.437	20.381	Aromadendrene	C15H24	0.42
42	21.530	21.477	Curcumene	C15H22	0.72
43	21.875	21.813	β-Selinene	C15H24	0.92
44	22.041	21.872	α-Selinene	C15H24	0.47
45	23.057	22.971	δ-Guaiene	C15H24	0.61
46	23.285	—	α-Himachalene	C15H24	0.13
47	24.561	24.510	α-Bisabolene	C15H24	0.42
48	25.527	—	Acoradiene	C15H24	0.23
49	25.673	25.615	τ-Cadinene	C15H24	0.43
50	25.858	25.792	Cuparene	C15H24	0.37
51	26.006	25.921	Myristicin	C11H12O3	0.45
52	26.821	—	α-Guaiene	C15H24	0.09
53	27.210	27.115	trans-Nerolidol	C15H26O	0.22
54	27.708	27.647	e-Cadinene	C15H24	0.92
55	28.419	—	Caryophyllene oxide	C15H24O	0.58
56	29.275	17.292	δ-Cadinene	C15H24	1.53
57	31.510	31.432	Cedrol	C15H26O	14.37
58	31.576	31.425	epi-Cedrol	C15H26O	1.15
59	32.470	—	Muurolol	C15H26O	0.46
60	33.132	33.040	α-Cadinol	C15H26O	1.43
61	33.674	33.592	Patchoulol	C15H26O	2.17
62	34.342	—	Epiglobulol	C15H26O	0.08
63	35.027	34.631	Cubenol	C15H26O	0.72
64	37.167	37.102	Cedryl acetate	C17H28O2	0.76
65	39.492	39.422	Torreyol	C15H26O	0.38
66	39.861	39.784	Farnesyl acetate	C17H28O2	1.73
67	41.216	—	α-Eudesmol	C15H26O	0.06
68	44.875	44.793	6,10,14-Trimethyl-2-pentadecanone	C18H36O	1.24

aRepresenting the main root of Agrimonia eupatoria.
bRepresenting the leaf of Agrimonia eupatoria.
—: correlative component is not found in 𝐗₂.