. 2021 Jan 9;9(2):605–615. doi: 10.1002/fsn3.1954

TABLE 1.

Identification, standard curves and concentrations of the volatile compounds of the simultaneous distillation‐extraction extract

No	RTX−5MX		RTX‐WAX		Reference ^e	Volatile	Standard curve ^f	R ²	CI	Range (mg/L)	Concentration (mg/L)	CF ^g
No	RI ^a	RI ^b	RI ^c	RI ^d	Reference ^e	Volatile	Standard curve ^f	R ²	CI	Range (mg/L)	Concentration (mg/L)	CF ^g
1	—	792	—	1,098	Std MS	2‐Hexanone	Y = 0.2404X − 0.2621	0.9990	43 58 57	0.5–100	16.9 ± 0.7	0.264
2	800	800	1,075	1,078	Std MS R1	Hexanal	Y = 1.3054X − 0.0609	0.9997	44 41 56	0.5–100	9.9 ± 0.7	0.771
3	849	850	—	1,216	Std MS R1	2‐Hexenal	Y = 0.5910X − 0.0432	0.9997	41 69 42	0.5–100	11.7 ± 0.5	1.270
4	854	855	1,388	1,386	Std MS R1	cis‐3‐Hexen‐1‐ol	Y = 1.6069X − 0.0631	0.9998	41 67 82	0.5–100	3.7 ± 0.2	0.625
5	902	902	1,189	1,188	Std MS R1	Heptanal	Y = 1.5103X − 0.0835	0.9997	44 70 43	0.5–100	1.8 ± 0.1	0.667
6	988	988	1,383	1,387	Std MS R1	6‐methyl‐5‐Hepten‐2‐one	Y = 2.6180X − 0.1443	0.9997	43 41 108	0.5–100	1.0 ± 0.1	0.385
7	992	991	1,227	1,229	Std MS R1	2‐pentyl‐Furan	Y = 3.3982X − 0.1975	0.9995	81 82 138	0.5–100	1.6 ± 0.0	0.296
8	1,030	1,030	—	1,484	Std MS R1	2‐ethyl‐1‐Hexanol	Y = 3.3049X − 0.0446	0.9998	57 41 43	0.5–100	0.7 ± 0.0	0.302
9	1,036	1,037	1,874	1,877	Std MS R1	Benzyl alcohol	Y = 0.1963X − 0.4311	0.9970	108 79 107	0.5–100	35.6 ± 5.3	0.541
10	1,044	1,044	1,628	1,626	Std MS R1	Benzeneacetaldehyde	Y = 1.3974X − 0.0543	0.9995	91 92 120	0.5–100	19.8 ± 1.5	0.719
11	1,072	1,073	1,439	1,438	Std MS R1	cis‐Linalool oxide	Y = 2.8420X − 0.0683	0.9997	59 43 94	0.5–100	8.2 ± 1.1	0.354
12	1,088	1,088	1,468	1,471	Std MS R1	trans‐Linalool oxide	Y = 4.3092X − 0.0727	0.9997	59 94 43	0.5–100	9.3 ± 0.2	0.233
13	1,100	1,100	1,552	1,552	Std MS R1	Linalool	Y = 2.2918X − 0.1747	0.9996	71 41 93	0.5–100	5.5 ± 0.1	0.441
14	1,105	1,107	—	1,623	MS R2	Hotrienol					6.8 ± 0.3
15	1,108	1,042	1,590	—	Std MS R3	3‐Octen‐2‐ol	Y = 3.6322X − 0.2084	0.9991	81 39 110	0.5–100	2.4 ± 0.1	0.277
16	1,114	1,114	1,907	1,912	Std MS R1	Phenylethyl alcohol	Y = 7.6178X − 0.5345	0.9995	91 92 122	0.5–100	2.2 ± 0.5	0.132
17	1,170	1,167	1,738	1,742	MS R1	cis‐pyranoid‐Linalool oxide					9.9 ± 3.1
18	1,174	1,173	1,595	1,608	Std MS R1	Menthol	Y = 0.2444X − 0.0135	0.9996	71 81 95	0.5–100	84.4 ± 2.2	4.121
19	1,175	1,173	1,767	1,759	MS R1	trans‐pyranoid‐Linalool oxide					18.2 ± 0.8
20	1,192	1,190	1,695	1,692	Std MS R1	α‐Terpineol	Y = 1.2469X − 0.0785	0.9994	59 93 121	0.5–100	2.4 ± 0.2	0.808
21	1,201	1,201	1,631	1,648	Std MS R1	Safranal	Y = 2.6516X − 0.0499	0.9998	107 91 121	0.5–100	1.0 ± 0.1	0.378
22	1,206	1,207	1,494	1,495	Std MS R1	Decanal	Y = 0.3174X − 0.0331	0.9992	43 41 57	0.5–100	7.3 ± 2.1	3.192
23	1,230	—	—	1,059	Std MS R1	Camphene	Y = 0.2809X + 0.0015	0.9999	93 121 79	0.5–100	1.5 ± 0.1	3.550
24	1,259	1,260	1,854	1,854	Std MS R1	Geraniol	Y = 1.6663X − 0.1813	0.9994	69 41 68	0.5–100	1.4 ± 0.00	0.603
25	1,299	1,295	2,345	2,414	Std MS R1	Indole	Y = 4.5914X − 0.4733	0.9994	117 90 89	0.5–100	1.3 ± 0.0	0.221
26	1,387	1,386	1,810	1,810	Std MS R1	trans‐β‐Damascenone	Y = 1.3702X − 0.0799	0.9998	177 69 41	0.5–100	1,8 ± 0.1	0.735
27	1,431	1,429	1,841	1,844	Std MS R1	trans‐α‐Ionone	Y = 3.1402X − 0.1273	0.9999	121 93 43	0.5–100	1.4 ± 0.0	0.320
28	1,455	1,457	—	1,835	Std MS R1	cis‐Geranylacetone	Y = 2.3970X − 0.1372	0.9998	44 69 41	0.5–100	2.4 ± 0.8	0.420
29	1,490	1,490	1,930	1,926	Std MS R1	trans‐β‐Ionone	Y = 7.7843X − 0.1273	0.9995	177 43 41	0.5–100	2.3 ± 0.0	0.129
30	1,516	1,513	—	2,321	Std MS R1	2,4‐Ditert‐butylphenol	Y = 17.5469X + 0.1502	0.9998	191 57 206	0.5–100	0.2 ± 0.0	0.057
31	1,608	1,608	—	2,112	Std MS R1	Cedrol	Y = 1.1834X − 0.0940	0.9995	95 150 151	0.5–100	6.6 ± 0.4	0.867
32	1,615	1,613	—	2,014	MS R1	Caryophyllene oxide	Y = 3.7303X − 0.3035	0.9995	43 41 79	0.5–100	1.0 ± 0.0	0.271

^{^a}

Retention index (RI) is obtained by gas chromatography–mass spectrometry (GC‐MS) analysis using the Rtx‐5MS column.

^{^b}

RI is reported in the literature or websites and is analyzed using a column similar to Rtx‐5MS.

^{^c}

RI is obtained by GC‐MS analysis using the Rtx‐wax column.

^{^d}

RI is reported in the literature or websites using a column similar to Rtx‐wax.

^{^e}

Std indicates that the identification was confirmed by matching a standard, and the number following R is the corresponding reference showing the RI values (R1 is referred to the database on the web (http://webbook.nist.gov/chemistry/—R2 is Zhang et al., 2018).

^{^f}

All of the equations of the calibration curves of authentic standard chemicals (ASCs) are calculated in the selective ion monitoring (SIM) mode, where X is the ratio of the concentration of the ASC to that of the internal standard (IS) and Y is the ratio of the peak area of the ASC to that of the IS.

^{^g}

CF represents correction factors using this formula: CF = (As/Ms)/(Ar/Mr), As represents the corresponding quantitative ion (SIM mode) area of the IS, Ar is the corresponding quantitative ion (SIM mode) area of the ASC, Ms is the concentration of IS, and Mr represents the concentration of the ASC.