The GC/MS Analysis of Volatile Components Extracted by Different Methods from Exocarpium Citri Grandis

Table 1

Volatile compounds of ECG identified by GC/MS.

No.	RI^a	Name	ID^b	CAS no.	Relative amount (%)^c
					SD	HS-SPME	SE
1	773	1,3,5-Trioxepane	MS, RI	5981-6-6	—	—	1.37
2	834	Furfural	MS, RI	98-01-1	0.05	—	—
3	937	𝛼-Pinene	MS, RI	7785-70-8	0.19	—	—
4	960	Heptanol	MS, RI	53535-33-4	—	—	0.94
5	981	𝛽-Pinene	MS, RI	18172-67-3	0.27	0.1	—
6	989	𝛽-Myrcene	MS, RI	123-35-3	2.63	1.51	0.34
7	1004	𝛼-Phellandrene	MS, RI	99-83-2	0.15	—	—
8	1018	𝛼-Terpinene	MS, RI	99-86-5	0.14	—	—
9	1022	𝑜-Cymene	MS, RI	527-84-4	0.47	—	—
10	1030	Limonene	MS, RI	5989-27-5	11.77	7.49	0.25
11	1045	trans-𝛽-Ocimene	MS, RI	3779-61-1	0.08	0.05	—
12	1058	𝛾-Terpinene	MS, RI	99-85-4	3.75	1.33	0.23
13	1073	cis-Linalool oxide	MS, RI	15249-34-0	1.76	1.84	1.05
14	1082	𝛼-Terpinolene	MS, RI	586-62-9	0.35	—	—
15	1086	trans-Linalool oxide	MS, RI	34995-77-2	0.67	0.86	0.52
16	1090	𝑝-Cymenene	MS, RI	1195-32-0	0.11	—	0.1
17	1102	Linalool	MS, RI	78-70-6	0.52	0.35	—
18	1114	Nonane, 4-ethyl-5-methyl-	MS, RI	1632-71-9	—	—	0.19
19	1140	Cosmene	MS, RI	460-01-5	0.04	—	0.3
20	1175	Terpinen-4-ol	MS, RI	20126-76-5	1.2	3.42	0.69
21	1190	𝛼-Terpineol	MS, RI	98-55-5	0.91	1.47	0.4
22	1206	Decanal	MS, RI	112-31-2	0.1	0.05	—
23	1239	Carvone	MS, RI	99-49-0	0.05	0.11	—
24	1290	Thymol	MS, RI	89-83-8	0.04	0.32	—
25	1299	Carvacrol	MS, RI	499-75-2	0.05	0.37	—
26	1306	Undecanal	MS, RI	112-44-7	0.04	0.07	—
27	1335	o-Elemene	MS, RI	3242-08-8	0.15	1.06	—
28	1339	𝛿-Elemene	MS, RI	20307-84-0	0.69	0.73	0.28
29	1351	𝛼-Cubebene	MS, RI	17699-14-8	0.23	0.31	0.14
30	1362	cis-Geranyl acetate	MS, RI	141-12-8	0.21	0.41	0.1
31	1376	Ylangene	MS, RI	14912-44-8	0.21	0.25	0.12
32	1378	𝛼-Copaene	MS, RI	3856-25-5	0.7	0.66	0.45
33	1395	𝛽-Elemene	MS, RI	515-13-9	0.72	0.74	0.59
34	1411	Dodecanal	MS, RI	112-54-9	0.25	0.2	0.09
35	1417	trans-Caryophyllene	MS, RI	87-44-5	2.63	5.94	2.23
36	1420	𝛽-Cubebene	MS, RI	13744-15-5	0.95	3.26	0.81
37	1433	𝛽-Aromadendrene	MS, RI	25246-27-9	0.23	0.15	—
38	1451	Isoledene	MS, RI	NA^d	0.23	1.06	—
39	1455	1,4,7,-Cycloundecatriene, 1,5,9,9-tetramethyl-, Z,Z,Z-	MS, RI	NA^d	0.36	0.28	—
40	1463	2-Isopropenyl-4a,8-dimethyl-1,2,3,4, 4a,5,6,7-octahydronaphthalene	MS, RI	NA^d	0.28	0.75	—
41	1480	𝛾-Muurolene	MS, RI	30021-74-0	2.87	2.11	1.68
42	1486	Germacrene-D	MS, RI	23986-74-5	13.28	11.36	14.2
43	1494	𝛼-Muurolene	MS, RI	10208-80-7	1.07	1.92	1.12
44	1511	𝛾-Cadinene	MS, RI	39029-41-9	1.62	1.35	1.2
45	1528	𝛿-Cadinene	MS, RI	483-76-1	4.73	3.25	2.71
46	1536	Naphthalene, 1,2,3,4,4α,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-	MS, RI	16728-99-7	0.29	0.25	0.17
47	1541	𝛼-Cadinene	MS, RI	24406-05-1	0.49	0.39	0.27
48	1552	Calacorene	MS, RI	38599-17-6	0.2	0.16	—
49	1561	trans-Nerolidol	MS, RI	40716-66-3	4.03	9.9	3.58
50	1572	(−)-Spathulenol	MS, RI	77171-55-2	0.47	1.14	0.63
51	1583	Globulol	MS, RI	51371-47-2	0.42	0.38	—
52	1600	Viridiflorol	MS, RI	552-02-3	0.55	0.37	—
53	1620	𝛽-Eudesmol	MS, RI	473-15-4	0.24	0.29	—
54	1641	Cubenol	MS, RI	21284-22-0	0.67	1.29	—
55	1647	Selina-6-en-4-ol	MS, RI	1461-03-6	0.32	0.52	—
56	1654	𝜏-Candinol	MS, RI	5937-11-1	0.56	—	—
57	1661	𝜏-Muurolol	MS, RI	19912-62-0	1.47	2.14	1
58	1668	𝛼-Cadinol	MS, RI	481-34-5	2.61	2.29	1.06
59	1683	Ledene oxide-(II)	MS	NA^d	0.17	—	0.24
60	1730	5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one	MS	NA^d	0.08	0.15	—
61	1840	Cyclopentadecanone, 2-hydroxy-	MS, RI	4727-18-8	0.08	—	—
62	1857	Pentadecanoic acid	MS, RI	1002-84-2	0.22	0.3	—
63	1923	1,3,6,10-Cyclotetradecatetraene	MS, RI	1898-13-1	0.53	0.75	0.85
64	1927	Kaur-16-ene, (8β,13β)-	MS	20070-61-5	0.41	0.61	0.62
65	1933	Hexadecanoic acid, methyl ester	MS, RI	112-39-0	0.63	0.53	0.9
66	1946	2,6,8,10,14-Hexadecapentaene, 2,6,11,15-tetramethyl-, (E,E,E)-	MS	38259-79-9	6.54	8.49	11.21
67	1975	Hexadecanoic acid	MS, RI	57.10.3	4.79	0.07	11.7
68	2008	Geranyl linalool	MS, RI	1113-21-9	3.54	3.31	4.27
69	2023	Bergapten	MS, RI	484-20-8	0.13	—	1.33
70	2079	Methyl linoleate	MS, RI	112-63-0	0.31	0.13	0.47
71	2102	Methyl linolenate	MS, RI	301-00-8	0.44	0.2	—
72	2139	Osthole	MS, RI	484-12-8	0.03	—	0.53
73	2150	Z,Z-10,12-Hexadecadien-1-ol acetate	MS, RI	60-33-3	1.53	—	3.12
74	2158	𝛼-Linolenic acid	MS, RI	463-40-1	1.56	—	4.14
75	2177	Ethyl linoleate	MS, RI	7619-08-1	0.11	—	—
76	—	𝛼-Glyceryl linolenate	MS	18465-99-1	0.16	—	0.84
77	—	Isogeijerin	MS	38409-25-5	—	—	5.21
78	—	3-Ethyl-5-(2-ethylbutyl)-octadecane	MS	55282-12-7	0.06	—	—
79	—	Heptadecane, 9-hexyl-	MS	55124-79-3	0.07	—	—
80	—	2,2′-Methylenebis(6-tert-butyl-𝑝-cresol)	MS	119-47-1	0.04	—	1.13
81	—	Auraptene	MS	495-02-3	0.06	—	2.41

aRetention indices were calculated using a homologous series of n-alkanes (C₇–C₂₂).
^bIdentification of volatile compounds was carried out by comparing MS spectrum and RIs of components in ECG with those of the authentic standards in NIST library (2005) and previous study. In the comparison of MS spectrum, the requisites should be that both SI and RSI were more than 800.
^cResults obtained by peak-area normalization.
^dNA: not available.