Table 1.
Identification of the VOCs in SS by HS-GC-IMS.
| Compounds | Formula | RI 1 | RT 2 [s] | DT 3 [ms] | CAS |
|---|---|---|---|---|---|
| Terpenoids | |||||
| limonene (d) | C10H16 | 1027.1 | 613.85 | 1.28735 | 138-86-3 |
| limonene (m) | C10H16 | 1025.1 | 608.277 | 1.64831 | 138-86-3 |
| d-camphor | C10H16O | 1137.1 | 1000.58 | 1.84257 | 464-49-3 |
| beta-pinene | C10H16 | 972.2 | 483.778 | 1.21748 | 127-91-3 |
| alpha-phellandrene | C10H16 | 991.9 | 525.443 | 1.2135 | 99-83-2 |
| 1-menthol (m) | C10H20O | 1172.8 | 1172.199 | 1.87632 | 2216-51-5 |
| 1-menthol (d) | C10H20O | 1174.1 | 1178.76 | 1.25862 | 2216-51-5 |
| Alcohols | |||||
| linalool | C10H18O | 1102.8 | 858.912 | 1.21718 | 78-70-6 |
| 1-phenylethanol | C6H8O3 | 1059.5 | 708.841 | 1.19687 | 98-86-2 |
| 3-heptanol | C7H16O | 901.5 | 359.303 | 1.3301 | 589-82-2 |
| 3-furanmethanol | C5H6O2 | 975.6 | 490.8 | 1.10433 | 4412-91-3 |
| 2-hexanol | C6H14O | 813.5 | 254.742 | 1.57558 | 626-93-7 |
| 2-furanmethanol,5-methyl-(m) | C6H8O2 | 954.4 | 448.858 | 1.55977 | 3857-25-8 |
| 2-furanmethanol,5-methyl-(d) | C6H8O2 | 959.4 | 458.318 | 1.25549 | 3857-25-8 |
| 1-octen-3-ol | C8H16O | 983.9 | 508.084 | 1.15751 | 3391-86-4 |
| (Z)-3-hexen-1-ol | C6H12O | 851.3 | 294.963 | 1.51428 | 928-96-1 |
| Phenols | |||||
| p-cresol | C7H8O | 1084.6 | 792.197 | 1.1635 | 106-44-5 |
| 2,6-dichlorophenol | C6H4Cl2O | 1204.1 | 1347.154 | 1.20289 | 87-65-0 |
| Aldehydes | |||||
| trans-2-Hexenal | C6H10O | 825 | 266.352 | 1.52158 | 6728-26-3 |
| trans-2-pentenal (m) | C5H8O | 753.8 | 199.608 | 1.35623 | 1576-87-0 |
| trans-2-pentenal (d) | C5H8O | 753.8 | 199.608 | 1.10847 | 1576-87-0 |
| Nonanal | C9H18O | 1106.1 | 871.718 | 1.47192 | 124-19-6 |
| 5-methyl-2-furancarboxaldehyde | C6H6O2 | 936.7 | 416.718 | 1.1367 | 620-02-0 |
| 2-formyl-5-methylthiophene | C6H6OS | 1117.4 | 916.415 | 1.15464 | 13679-70-4 |
| 2,4-heptadienal | C7H10N2 | 1001.5 | 547.827 | 1.62004 | 5910-85-0 |
| (E)-hept-2-enal | C7H12O | 959.3 | 458.146 | 1.66579 | 18829-55-5 |
| benzaldehyde | C7H6O | 959 | 457.688 | 1.14877 | 100-52-7 |
| (E)-2-Hexenal | C6H10O | 851.5 | 295.153 | 1.18069 | 6728-26-3 |
| 2,4-Hexadienal, (E,E)- | C6H8O | 913.5 | 377.923 | 1.44546 | 142-83-6 |
| Esters | |||||
| methyl 3-methylbutanoate | C6H12O2 | 764.7 | 209.149 | 1.5252 | 556-24-1 |
| Isopentyl isovalerate | C10H20O2 | 1116.7 | 913.692 | 2.03768 | 659-70-1 |
| ethyl butanoate | C6H12O2 | 790.2 | 232.779 | 1.55819 | 105-54-4 |
| ethyl benzoate | C9H10O2 | 1142.7 | 1025.57 | 1.25881 | 93-89-0 |
| ethyl acetate | C4H8O2 | 617.2 | 122.892 | 1.33577 | 141-78-6 |
| benzyl acetate | C9H10O2 | 1128.1 | 961.307 | 1.32321 | 140-11-4 |
| Acids | |||||
| 3-methylbutanoic acid | C5H10O2 | 849 | 292.352 | 1.48126 | 503-74-2 |
| Ketones | |||||
| nonan-2-one | C9H18O | 1095.5 | 831.727 | 1.40358 | 821-55-6 |
| cyclohexanone (m) | C6H10O | 897.3 | 353.068 | 1.45503 | 108-94-1 |
| cyclohexanone (d) | C6H10O | 897.5 | 353.34 | 1.15396 | 108-94-1 |
| Acetophenone | C8H8O | 1048.6 | 675.279 | 1.17218 | 98-86-2 |
| 6-methyl-5-hepten-2-one | C8H14O | 942.5 | 426.954 | 1.1742 | 110-93-0 |
| Furaneol | C6H8O3 | 1015.3 | 582.545 | 1.61471 | 3658-77-3 |
| Others | |||||
| 2-Ethyl-5-methylpyrazine | C7H10N2 | 1006.3 | 559.704 | 1.66669 | 13360-64-0 |
| 2-Ethyl-3,5-dimethylpyrazine | C8H12N2 | 1076.4 | 764.142 | 1.73198 | 13925-07-0 |
| diethyl trisulfide | C4H10S3 | 1126.2 | 952.929 | 1.24243 | 3600-24-6 |
1 Represents the retention index calculated using n-ketones C4-C9 as an external standard on the FS-SE-54-CB-1 column; 2 Represents the retention time in the capillary GC column; 3 Represents the drift time in the drift tube: (m): monomer; (d): dimer.