Table 3.
Classification | Compound | Rt [sec] | Dt [a.u.] | RI | Odor description | Relative amount/% |
|||||
---|---|---|---|---|---|---|---|---|---|---|---|
A | B | C | D | E | F | ||||||
aldehydes | n-Nonanal | 772.44 | 1.47252 | 1104.1 | fat, citrus, green | 1.57 ± 0.03a | 1.07 ± 0.03b | 1.06 ± 0.01b | 0.88 ± 0.06c | 1.50 ± 0.10a | 1.12 ± 0.03b |
Octanal(M) | 590.886 | 1.40877 | 1013.7 | fat, soap, lemon, green | 3.61 ± 0.03d | 3.14 ± 0.16e | 5.03 ± 0.06b | 4.94 ± 0.08b | 6.46 ± 0.10a | 4.70 ± 0.11c | |
Octanal(D) | 585.521 | 1.82116 | 1010.6 | fat, soap, lemon, green | 0.37 ± 0.02c | 0.28 ± 0.06d | 0.61 ± 0.02b | 0.62 ± 0.02b | 1.09 ± 0.06a | 0.59 ± 0.02b | |
Benzaldehyde | 528.041 | 1.15726 | 980.7 | almond, burnt sugar | 0.42 ± 0.04b | 0.63 ± 0.08a | 0.42 ± 0.08b | 0.56 ± 0.05a | 0.59 ± 0.06a | 0.67 ± 0.04a | |
Heptanal(M) | 391.701 | 1.33588 | 903.7 | fat, citrus, rancid | 6.26 ± 0.10e | 6.81 ± 0.12d | 8.19 ± 0.08a | 7.11 ± 0.06c | 7.88 ± 0.16b | 7.25 ± 0.04c | |
Heptanal(D) | 394.965 | 1.69303 | 905.8 | fat, citrus, rancid | 2.48 ± 0.10e | 2.38 ± 0.06e | 5.57 ± 0.02b | 5.36 ± 0.04c | 7.72 ± 0.05a | 4.82 ± 0.16d | |
Hexanal(M) | 263.769 | 1.26028 | 792.7 | grass, tallow, fat | 9.63 ± 0.17b | 10.88 ± 0.09a | 8.73 ± 0.17c | 7.22 ± 0.09e | 7.00 ± 0.25e | 7.71 ± 0.15d | |
Hexanal(D) | 262.065 | 1.56495 | 790.8 | grass, tallow, fat | 21.22 ± 0.10c | 17.91 ± 0.25d | 24.85 ± 0.48a | 21.90 ± 0.06b | 24.85 ± 0.43a | 21.80 ± 0.04b | |
Pentanal(M) | 184.23 | 1.18731 | 692.4 | almond, malt, pungent | 2.47 ± 0.06b | 2.86 ± 0.02a | 1.51 ± 0.01c | 1.04 ± 0.03e | 1.08 ± 0.00e | 1.21 ± 0.04d | |
Pentanal(D) | 183.106 | 1.42591 | 690.7 | almond, malt, pungent | 3.53 ± 0.04a | 1.69 ± 0.06e | 2.58 ± 0.04b | 2.15 ± 0.01c | 2.63 ± 0.05b | 2.05 ± 0.07d | |
2-Methylbutanal(M) | 169.04 | 1.16656 | 660.3 | cocoa, almond | 2.13 ± 0.05a | 1.79 ± 0.03c | 0.70 ± 0.02e | 1.91 ± 0.02b | 0.68 ± 0.01e | 1.06 ± 0.03d | |
2-Methylbutanal(D) | 167.242 | 1.40448 | 656.1 | cocoa, almond | 1.14 ± 0.03b | 0.51 ± 0.01c | 0.10 ± 0.01e | 2.14 ± 0.11a | 0.11 ± 0.00e | 0.23 ± 0.02d | |
3-Methylbutanal(M) | 158.853 | 1.18228 | 636.1 | malt | 2.68 ± 0.07a | 2.52 ± 0.07b | 0.95 ± 0.04d | 2.44 ± 0.05b | 1.03 ± 0.02d | 1.42 ± 0.01c | |
3-Methylbutanal(D) | 159.452 | 1.40762 | 637.5 | malt | 1.32 ± 0.08b | 0.75 ± 0.02c | 0.15 ± 0.02e | 2.75 ± 0.14a | 0.16 ± 0.01e | 0.30 ± 0.01d | |
Butanal | 138.744 | 1.29222 | 583.3 | pungent, green | 0.41 ± 0.01e | 0.55 ± 0.01c | 0.67 ± 0.02a | 0.37 ± 0.02f | 0.58 ± 0.01b | 0.48 ± 0.01d | |
Phenylacetaldehyde | 652.164 | 1.26254 | 1047 | hawthorne, honey, sweet | 0.41 ± 0.04a | 0.12 ± 0.02b | 0.12 ± 0.02b | 0.13 ± 0.02b | 0.13 ± 0.01b | 0.12 ± 0.01b | |
subtotal | 59.63 ± 0.56c | 53.89 ± 0.19e | 61.25 ± 0.67b | 61.52 ± 0.28b | 63.49 ± 0.58a | 55.52 ± 0.03d | |||||
olefine aldehyde | (E)-2-Heptenal | 493.974 | 1.25547 | 963.5 | soap, fat, almond | 0.40 ± 0.03a | 0.13 ± 0.02d | 0.14 ± 0.01 cd | 0.17 ± 0.02bc | 0.20 ± 0.01b | 0.17 ± 0.02bc |
(E)-2-Hexenal(M) | 327.215 | 1.17772 | 853.8 | apple, green | 1.18 ± 0.01b | 0.67 ± 0.03e | 0.89 ± 0.02d | 1.39 ± 0.03a | 1.05 ± 0.05c | 1.15 ± 0.01b | |
(E)-2-Hexenal(D) | 326.363 | 1.51611 | 853.1 | apple, green | 0.21 ± 0.01c | 0.08 ± 0.02e | 0.18 ± 0.01d | 0.38 ± 0.01a | 0.25 ± 0.01b | 0.22 ± 0.03bc | |
(E)2-Pentenal(M) | 228.052 | 1.10605 | 751.9 | strawberry, fruit, tomato | 0.85 ± 0.02b | 0.48 ± 0.02d | 0.74 ± 0.01c | 1.15 ± 0.02a | 0.87 ± 0.02b | 0.86 ± 0.04b | |
(E)2-Pentenal(D) | 227.153 | 1.36108 | 750.8 | strawberry, fruit, tomato | 0.19 ± 0.01c | 0.09 ± 0.01d | 0.19 ± 0.02c | 0.49 ± 0.02a | 0.30 ± 0.03b | 0.27 ± 0.03b | |
(Z)-4-Heptenal | 388.852 | 1.15067 | 901.8 | biscuit, cream | 0.94 ± 0.05e | 1.10 ± 0.01d | 1.46 ± 0.04c | 1.67 ± 0.01ab | 1.72 ± 0.04a | 1.62 ± 0.02b | |
2-Methyl-2-pentenal | 300.369 | 1.16082 | 829.5 | 0.12 ± 0.01d | 0.12 ± 0.02d | 0.15 ± 0.01c | 0.20 ± 0.01b | 0.17 ± 0.00c | 0.26 ± 0.01a | ||
subtotal | 3.91 ± 0.05c | 2.67 ± 0.03d | 3.76 ± 0.05c | 5.47 ± 0.09a | 4.55 ± 0.11b | 4.56 ± 0.09b | |||||
alcohol | 1-Octen-3-ol | 561.763 | 1.15598 | 996.7 | mushroom | 0.51 ± 0.01bc | 0.41 ± 0.07d | 0.49 ± 0.05c | 0.58 ± 0.02b | 0.73 ± 0.05a | 0.56 ± 0.02bc |
1-Penten-3-ol | 182.657 | 0.94698 | 690 | butter, pungent | 6.33 ± 0.14b | 6.08 ± 0.03c | 6.70 ± 0.07a | 6.64 ± 0.16a | 6.37 ± 0.08b | 6.75 ± 0.03a | |
Ethanol | 99.226 | 1.05441 | 452.6 | sweet | 3.04 ± 0.06d | 4.19 ± 0.03b | 4.67 ± 0.10a | 3.32 ± 0.02c | 1.98 ± 0.03e | 3.13 ± 0.02d | |
1-Propanol | 129.12 | 1.11925 | 555.3 | alcohol, pungent | 1.13 ± 0.08bc | 0.80 ± 0.05d | 1.32 ± 0.08a | 1.20 ± 0.06abc | 1.25 ± 0.05ab | 1.10 ± 0.07c | |
1-Pentanol(M) | 245.925 | 1.25359 | 773 | balsamic | 1.32 ± 0.01a | 0.48 ± 0.01e | 0.59 ± 0.02d | 0.73 ± 0.01c | 0.76 ± 0.03b | 0.79 ± 0.01b | |
1-Pentanol(D) | 246.327 | 1.50933 | 773.4 | balsamic | 0.32 ± 0.01a | 0.06 ± 0.01e | 0.14 ± 0.01d | 0.16 ± 0.01c | 0.21 ± 0.01b | 0.15 ± 0.01 cd | |
subtotal | 12.66 ± 0.18b | 12.01 ± 0.08c | 13.92 ± 0.23a | 12.64 ± 0.24b | 11.31 ± 0.08d | 12.48 ± 0.10b | |||||
furfuran | 2-Pentylfuran | 557.164 | 1.25301 | 994.5 | green bean, butter | 0.48 ± 0.02a | 0.13 ± 0.01c | 0.13 ± 0.01c | 0.15 ± 0.01c | 0.19 ± 0.02b | 0.15 ± 0.02c |
Tetrahydrofurane(M) | 151.961 | 1.06384 | 618.8 | 2.91 ± 0.35bc | 3.44 ± 0.05a | 3.10 ± 0.28ab | 2.44 ± 0.24d | 2.78 ± 0.17bcd | 2.57 ± 0.09 cd | ||
Tetrahydrofurane(D) | 150.763 | 1.23049 | 615.7 | 1.14 ± 0.41b | 1.31 ± 0.08b | 2.20 ± 0.75a | 1.17 ± 0.42b | 1.78 ± 0.40ab | 0.92 ± 0.11b | ||
subtotal | 4.53 ± 0.78ab | 4.87 ± 0.12ab | 5.42 ± 1.03a | 3.75 ± 0.65b | 4.75 ± 0.56ab | 3.63 ± 1.20b | |||||
ketone | 2-Heptanone | 375.332 | 1.26028 | 892.7 | cream | 0.52 ± 0.03a | 0.24 ± 0.01c | 0.25 ± 0.01c | 0.31 ± 0.01b | 0.34 ± 0.02b | 0.33 ± 0.02b |
2-Butanone(M) | 133.983 | 1.06699 | 569.7 | fruit | 4.20 ± 0.13b | 5.51 ± 0.05a | 2.86 ± 0.03d | 2.88 ± 0.02d | 2.60 ± 0.02e | 3.27 ± 0.01c | |
2-Butanone(D) | 134.882 | 1.24516 | 572.3 | fruit | 6.40 ± 0.11c | 9.21 ± 0.22a | 5.71 ± 0.16e | 6.10 ± 0.07d | 5.60 ± 0.04e | 8.82 ± 0.07b | |
Acetone | 104.919 | 1.12254 | 474.4 | Pungent,butter | 5.54 ± 0.22c | 9.15 ± 0.14a | 3.60 ± 0.16d | 3.36 ± 0.08d | 2.50 ± 0.09e | 6.80 ± 0.16b | |
subtotal | 16.66 ± 0.27c | 24.11 ± 0.21a | 12.42 ± 0.27d | 12.65 ± 0.13d | 11.04 ± 0.13e | 19.22 ± 0.18b |