Table A1.
GC-IMS integration parameters of detected volatile compounds in black raspberry wine.
| Compound | CAS | Formula | Molecular Weight |
Retention Index | Retention Time [sec] |
Drift Time [RIP rel] |
|---|---|---|---|---|---|---|
| ethyl isobutyrate | C97621 | C6H12O2 | 116.2 | 977 | 210.494 | 1.5572 |
| ethyl propanoate | C105373 | C5H10O2 | 102.1 | 969.2 | 207.073 | 1.4504 |
| methyl 2-methylbutanoate-M | C868575 | C6H12O2 | 116.2 | 1038.8 | 243.147 | 1.1893 |
| methyl 2-methylbutanoate-D | C868575 | C6H12O2 | 116.2 | 1038.4 | 242.884 | 1.5816 |
| nonanal | C124196 | C9H18O | 142.2 | 1400.6 | 685.257 | 1.4854 |
| 3-methyl-3-buten-1-ol | C763326 | C5H10O | 86.1 | 1220.5 | 401.632 | 1.4943 |
| 2-methyl-1-propanol | C78831 | C4H10O | 74.1 | 1103.4 | 287.083 | 1.3644 |
| ethanol | C64175 | C2H6O | 46.1 | 939 | 195.258 | 1.1425 |
| 1-propanol | C71238 | C3H8O | 60.1 | 1051.4 | 250.914 | 1.2615 |
| 3-methyl-1-pentanol | C589355 | C6H14O | 102.2 | 1347.4 | 588.502 | 1.31 |
| 1-butanol-M | C71363 | C4H10O | 74.1 | 1156.5 | 332.878 | 1.1828 |
| 1-butanol-D | C71363 | C4H10O | 74.1 | 1156 | 332.375 | 1.3817 |
| 3-hydroxy-2-butanone | C513860 | C4H8O2 | 88.1 | 1300.2 | 509.817 | 1.0707 |
| acetone | C67641 | C3H6O | 58.1 | 829.9 | 157.636 | 1.1147 |
| 1-hexanol-M | C111273 | C6H14O | 102.2 | 1376.8 | 641.44 | 1.328 |
| 1-hexanol-D | C111273 | C6H14O | 102.2 | 1374.2 | 636.746 | 1.6482 |
| isopropyl alcohol | C67630 | C3H8O | 60.1 | 975 | 209.62498 | 1.486 |
| butanal | C123728 | C4H8O | 72.11 | 880.9 | 175.144 | 1.2769 |
| 2-pentanone | C107879 | C5H10O | 86.1 | 928.6 | 191.527 | 1.3715 |
| 2-octanone | C111137 | C8H16O | 128.21 | 1290 | 494.12997 | 1.286 |
| -terpinene | C99865 | C10H16 | 136.23 | 1176 | 352.365 | 1.179 |
| terpinolene | C586629 | C10H16 | 136.23 | 1080 | 269.88 | 1.073 |
| ethyl acetate | C141786 | C4H8O2 | 88.1 | 896.1 | 180.334 | 1.3337 |
| ethyl formate | C109944 | C3H6O2 | 74.1 | 842.6 | 161.989 | 1.1914 |
| ethyl nonanoate | C123295 | C11H22O2 | 186.3 | 1500 | 868.348 | 1.5491 |
| ethyl octanoate | C106321 | C10H20O2 | 172.3 | 1440.5 | 758.806 | 1.4819 |
| ethyl lactate-M | C97643 | C5H10O3 | 118.1 | 1364.7 | 619.532 | 1.144 |
| ethyl lactate-D | C97643 | C5H10O3 | 118.1 | 1364.7 | 619.532 | 1.535 |
| ethyl hexanoate-M | C123660 | C8H16O2 | 144.2 | 1245.1 | 431.951 | 1.3441 |
| ethyl hexanoate-D | C123660 | C8H16O2 | 144.2 | 1242.8 | 428.993 | 1.7991 |
| isoamyl acetate-M | C123922 | C7H14O2 | 130.2 | 1134.7 | 312.749 | 1.3063 |
| isoamyl acetate-D | C123922 | C7H14O2 | 130.2 | 1133.5 | 311.742 | 1.7499 |
| ethyl butyrate | C105544 | C6H12O2 | 116.2 | 1048.5 | 249.048 | 1.5572 |
| isobutyl acetate | C110190 | C6H12O2 | 116.2 | 1024.5 | 234.746 | 1.6116 |
| propyl acetate | C109604 | C5H10O2 | 102.1 | 987.8 | 215.468 | 1.4749 |
| ethyl 2-methylbutanoate | C7452791 | C7H14O2 | 130.2 | 1061.5 | 257.378 | 1.248 |
| ethyl 3-methylbutanoate | C108645 | C7H14O2 | 130.2 | 1076.3 | 267.348 | 1.2596 |