| | Alcohols | | | | | | | | | | | | |
1 | 4544 | BenzylAlcohol | 1,494.48bc | 3,167.25a | 607.79de | 0.00d | 1,859.74bc | 0.00d | 1,274.42bc | 0.00d | 0.00d | 0.00d | 0.00d | S/MS |
2 | 2603 | 1-Heptanol | 46.03de | 79.61de | 95.43de | 351.89b | 266.19bc | 202.72ce | 196.49cd | 157.40ce | 204.69cd | 163.85ce | 562.39e | S/MS |
3 | 1653 | Isoamylalcohol | 264,472.81ab | 219,102.42ab | 209,535.85ab | 332,626.75ab | 197,936.04ab | 337,254.82ab | 285,922.91ab | 253,026.53ab | 274,735.60ab | 294,962.74ab | 237,243.39b | S/MS |
4 | 1603 | 2-Methyl-1-butanol | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 51.99a | 0.00a | 0.00a | 61.23a | MS |
5 | 3060 | 2,3-Butanediol,[R-(R*,R*)]- | 173.78b | 777.40a | 431.50ab | 207.31b | 325.32b | 187.44b | 184.52b | 275.26b | 196.86b | 193.14b | 214.57b | MS |
6 | 3242 | 2,3-Butanediol,[S-(R*,R*)]- | 36.82bc | 212.53a | 174.00a | 46.18bc | 99.53ab | 40.45bc | 36.74c | 66.33bc | 42.94bc | 43.34bc | 41.98c | MS |
7 | 4083 | 2-Octen-1-ol,3,7-dimethyl- | 0.00c | 0.00bc | 17.40a | 0.00c | 7.09ac | 6.10ab | 0.00c | 0.00c | 0.00c | 0.00c | 0.00c | MS |
8 | 4347 | 1,2,3-Butanetriol | 0.00a | 6.19a | 6.73a | 1.96a | 4.50a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
9 | 6104 | 2,3-Dihydrofarnesol | 0.00a | 0.00a | 3.26a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
10 | 2024 | 3-Ethyl-1-butanol | 8.15ac | 14.45ac | 9.28ac | 4.19ac | 3.31bc | 10.52ac | 10.56ab | 9.54ac | 7.34ac | 5.16ac | 13.52c | MS |
11 | 4677 | PhenylethylAlcohol | 162,570.99ce | 260,521.24ab | 149,694.79de | 231,597.03ac | 128,119.23e | 180,350.31bcd | 297,388.95a | 149,424.61de | 153,301.73de | 173,095.78ce | 152,864.89de | S/MS |
12 | 1966 | 4-Methyl-1-pentanol | 0.00a | 0.00a | 0.00a | 0.57a | 0.00a | 2.94a | 0.00a | 2.99a | 0.00a | 3.22a | 1.48a | MS |
13 | 1085 | 1-Propanol | 24.38b | 34.92b | 154.64a | 16.71b | 146.80a | 15.36b | 28.18b | 17.38b | 15.18b | 6.04b | 23.79b | MS |
14 | 1420 | 1-Butanol | 0.00a | 0.00a | 99.10a | 0.00a | 13.59a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
15 | 1220 | Isobutylalcohol | 199,954.87ab | 462,540.19ab | 257,257.41ab | 220,455.27ab | 169,629.07b | 220.77b | 176,872.41b | 162,439.08b | 127,824.95b | 221,874.59ab | 308,023.55b | S/MS |
16 | 1950 | 2-Ethyl-1-butanol | 0.00b | 0.00b | 117.55a | 0.00b | 7.98b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | MS |
| | Total | 628,782.33 | 946,456.21 | 618,204.75 | 785,307.85 | 498,418.40 | 518,291.45 | 761,915.17 | 565,471.11 | 556,329.29 | 690,347.85 | 699,050.80 | |
| | Volatileacids | | | | | | | | | | | | |
17 | 7904 | Pentadecanoicacid | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 19.26a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
18 | 5731 | Nonanoicacid | 0.00a | 3.47a | 0.00a | 0.00a | 0.00a | 0.00a | 5.89a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
19 | 5398 | OctanoicAcid | 0.00a | 3.72a | 0.00a | 0.00a | 0.00a | 11.92a | 4.99a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
20 | 4454 | Hexanoicacid | 0.00a | 5.74a | 0.00a | 3.17a | 0.00a | 0.00a | 0.00a | 5.34a | 0.00a | 0.00a | 2.19a | MS |
21 | 6197 | n-Decanoicacid | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 5.20a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
22 | 3673 | 2-Methylhexanoicacid | 0.00a | 43.66a | 0.00a | 12.27a | 6.32a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 20.81a | MS |
23 | 7584 | Tetradecanoicacid | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 18.04a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
24 | 8212 | n-Hexadecanoicacid | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 160.35a | 5.87a | 0.00a | 0.00a | 0.00a | MS |
25 | 3378 | 4-Hydroxybutanoicacid | 0.00a | 15.94a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
26 | 2710 | Acetic acid | 35.47fg | 999.77a | 222.75ce | 167.03bc | 54.97fg | 134.78cd | 82.38deg | 48.26eg | 0.00g | 269.29b | 33.10cef | MS |
27 | 3205 | Isobutyricacid | 0.00d | 103.88a | 7.14cd | 23.20b | 8.45cd | 10.89cd | 0.00d | 0.00d | 0.00d | 18.44bc | 27.36d | MS |
| | Total | 35.47 | 1176.18 | 229.89 | 205.67 | 69.75 | 157.59 | 296.10 | 59.47 | 0.00 | 287.73 | 83.46 | |
| | Aldehydes | | | | | | | | | | | | |
28 | 2844 | Benzaldehyde | 0.00c | 0.00bc | 1,272.94a | 0.00c | 0.00c | 252.93bc | 0.00c | 0.00c | 0.00c | 0.00c | 450.74b | S/MS |
29 | 788 | Acetaldehyde | 61.21de | 974.69a | 811.41a | 173.02c | 396.69b | 21.86e | 170.27cd | 75.10de | 69.49ce | 131.45de | 67.47de | MS |
30 | 809 | Isobutanal | 0.00b | 3.14a | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | MS |
| | Total | 61.21 | 977.82 | 2,084.35 | 173.02 | 396.69 | 274.79 | 170.27 | 75.10 | 69.49 | 131.45 | 518.21 | |
| | Estersandacetates | | | | | | | | | | | | |
31 | 2823 | Propanoicacid,3-methoxy-,methyl ester | 0.00a | 16.28a | 10.14a | 5.67a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
32 | 4118 | Benzeneaceticacid,ethyl ester | 0.00b | 0.00b | 4.24a | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.48ab | 0.00b | MS |
33 | 4238 | Acetic acid,2-phenylethylester | 0.00e | 4.59de | 14.52ce | 21.56cd | 19.64ce | 49.62a | 35.08bc | 59.97ab | 2.89de | 14.76ce | 8.69de | MS |
34 | 1013 | Butanoicacid,ethyl ester | 0.00b | 0.00b | 0.00b | 138.78ab | 208.85ab | 15.86ab | 0.00b | 219.70ab | 0.00b | 207.69ab | 0.00b | S/MS |
35 | 1888 | Heptanoicacid,ethyl ester | 0.00b | 0.00b | 0.00b | 4.29a | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.52b | 0.63b | MS |
36 | 2377 | Octanoicacid,ethyl ester | 116.20de | 25.06e | 159.42de | 236.84ce | 176.16ce | 1,024.38a | 283.93cd | 672.98b | 372.22c | 257.23cd | 295.66ce | S/MS |
37 | 4374 | Dodecanoicacid,ethyl ester | 0.00b | 0.00b | 0.00b | 0.58b | 2.31b | 1.69a | 0.00b | 0.72a | 0.00b | 0.00b | 0.00b | S/MS |
38 | 6523 | Ethylhydrogensuccinate | 0.00b | 7.88a | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | MS |
39 | 4270 | Isovalericacid,ethyl ester | 3.72ce | 38.44a | 25.65ab | 12.86ac | 38.44ce | 8.46ace | 13.41acd | 0.00e | 0.00e | 2.89de | 11.94e | MS |
40 | 3428 | Decanoicacid,ethyl ester | 15.75de | 0.00e | 21.96bcd | 20.32ce | 13.34be | 159.62a | 29.62bcd | 130.70a | 46.03b | 14.87de | 13.01bc | S/MS |
41 | 1533 | Hexanoicacid,ethyl ester | 61.54c | 7.98c | 189.30bc | 800.68a | 370.21ac | 60.66ab | 181.80bc | 424.02ac | 392.37ac | 554.27ac | 395.41c | S/MS |
42 | 1221 | Isoamylacetate | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 30.98a | 0.00a | 0.00a | 157.02a | 0.00a | 0.00a | MS |
43 | 844 | EthylAcetate | 312.71ab | 1,717.55ab | 492.17ab | 368.56ab | 769.93ab | 296.50ab | 424.25ab | 433.09ab | 401.22ab | 432.89ab | 168.36b | MS |
44 | 1683 | Acetic acid,hexyl ester | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 1.42a | 0.00a | S/MS |
45 | 4649 | Butanedioicacid,ethyl 3-methylbutylester | 1.59a | 0.00a | 2.11a | 12.43a | 0.00a | 7.74a | 8.37a | 9.94a | 1.66a | 5.31a | 6.33a | MS |
46 | 2921 | Butanoicacid,3-hydroxy-, ethyl ester | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.97a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
47 | 6969 | Linoleicacid,ethyl ester | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 2.60a | 0.00a | 0.00a | 0.00a | MS |
48 | 6128 | 9-Hexadecenoicacid,ethyl ester | 0.00a | 0.00a | 3.12a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
49 | 7423 | Hexadecyl2-ethylhexanoate | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 17.94a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
50 | 6818 | (E)-9-Octadecenoicacid,ethyl ester | 0.00b | 0.00b | 5.54a | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | MS |
51 | 1345 | trans-2-Butenoic acid, ethyl ester | 0.00b | 0.00b | 25.21a | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | MS |
52 | 6042 | Hexadecanoic acid, ethyl ester | 0.00b | 0.00b | 5.54b | 1.27b | 0.98b | 31.41a | 0.00b | 46.74a | 0.00b | 15.36ab | 5.35b | S/MS |
53 | 6814 | 9-Octadecenoic acid, ethyl ester | 0.00a | 0.00a | 0.00a | 0.00a | 1.16a | 3.49a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
54 | 3685 | 4-Decenoic acid, ethyl ester, (E)- | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 12.14a | 4.41a | 0.00a | 11.51a | 0.00a | 14.31a | MS |
55 | 816 | Acetic acid, methyl ester | 1.94a | 0.00a | 7.19a | 0.00a | 2.07a | 2.09a | 0.61a | 2.12a | 0.00a | 0.00a | 0.00a | MS |
56 | 6396 | DiethylPhthalate | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 8.84a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
57 | 2107 | Lactic acid,ethyl ester | 16.67ab | 0.00b | 5.73b | 15.22b | 7.93b | 12.93b | 44.70ab | 21.47ab | 16.44b | 20.91ab | 7.04ab | MS |
58 | 4213 | MethylN-hydroxybenzenecarboximidoate | 86.55a | 0.00a | 5.09a | 24.46a | 11.90a | 4.29a | 0.00a | 43.40a | 106.16a | 69.50a | 6.12a | MS |
| | Total | 616.68 | 1,817.78 | 976.94 | 1,663.53 | 1,622.92 | 1,722.85 | 1,052.94 | 2,067.44 | 1,507.52 | 1,598.09 | 932.83 | |
| | Ketones | | | | | | | | | | | | |
59 | 1981 | Acetol | 0.00c | 0.00c | 15.16a | 0.00c | 2.34b | 0.00c | 0.00c | 0.00c | 0.00c | 0.00c | 0.00c | MS |
60 | 1928 | Acetoin | 10.27def | 32.66ce | 465.40a | 15.24ce | 177.90b | 0.00f | 32.35c | 7.54ef | 5.30ce | 16.94ce | 0.00cd | MS |
61 | 811 | Acetone | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 2.16ab | 0.00b | 1.95ab | 0.00ab | 3.98ab | 0.00b | MS |
62 | 2754 | 3-Isopropyl-7a-methyl-1,4,5,6,7,7a-hexahydro-2H-inden-2-one | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 7.81a | 0.00a | 0.00a | 0.00a | 6.22a | 0.00a | MS |
| | Total | 10.27 | 32.66 | 480.56 | 15.24 | 180.24 | 9.97 | 32.35 | 9.48 | 5.30 | 27.14 | 0.00 | |
| | C13-norisoprenoids | | | | | | | | | | | | |
63 | 2308 | α-Ionene | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 4.67a | 0.00a | MS |
64 | 2774 | Ionone | 0.00b | 0.00ab | 0.00b | 0.00b | 0.00b | 11.67a | 0.00b | 0.00b | 0.00b | 3.63ab | 0.00b | MS |
65 | 3826 | TDN | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 8.55a | 0.00a | MS |
| | Total | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 11.67 | 0.00 | 0.00 | 0.00 | 16.85 | 0.00 | |
| | C6-compounds | | | | | | | | | | | | |
66 | 2135 | 1-Hexanol | 6,246.35ce | 6,933.31ce | 4,492.25ce | 1,6418.01a | 8,381.96cd | 3,577.18de | 6,162.38ce | 4,951.91ce | 9,386.92bc | 5,728.51ce | 14,397.96e | S/MS |
67 | 2261 | (Z)-3-Hexenol | 0.97bc | 0.00bc | 0.00b | 0.00b | 0.00b | 23.99a | 0.00b | 15.16b | 0.00b | 0.00b | 0.00b | MS |
| | Total | 6,247.32 | 6,933.31 | 4,492.25 | 1,6418.01 | 8,381.96 | 3,601.17 | 6,162.38 | 4,967.07 | 9,386.92 | 5,728.51 | 14,397.96 | |
| | Furans | | | | | | | | | | | | |
68 | 2629 | Furfural | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 3.07a | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | MS |
| | Total | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3.07 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| | Phenolicacidderivatives | | | | | | | | | | | | |
69 | 4001 | MethylSalicylate | 0.00a | 0.00a | 0.00a | 0.00a | 2.27a | 0.00a | 0.00a | 0.00a | 0.00a | 2.99a | 0.00a | MS |
| | Total | 0.00 | 0.00 | 0.00 | 0.00 | 2.27 | 0.00 | 0.00 | 0.00 | 0.00 | 2.99 | 0.00 | |
| | Terpenes | | | | | | | | | | | | |
70 | 3725 | α-Terpineol | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 40.67a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | S/MS |
| | Total | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 40.67 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| | Others | | | | | | | | | | | | |
71 | 8631 | Squalene | 0.00a | 31.26a | 0.00a | 0.00a | 0.00a | 0.00a | 42.20a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
72 | 1169 | 1-(1-Ethoxyethoxy)pentane | 0.00b | 0.00ab | 13.03ab | 2.73ab | 1.72ab | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | 0.00b | MS |
73 | 4339 | 1,3,6-Trioxocane | 0.00a | 0.00a | 0.00a | 0.00a | 0.61a | 0.00a | 0.00a | 0.00a | 0.00a | 0.49a | 0.00a | MS |
74 | 6246 | Glycerin | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | 11.74a | 0.00a | 0.00a | 0.00a | 0.00a | 0.00a | MS |
75 | 1761 | Butylcyclopropane | 0.59a | 0.00a | 1.24a | 0.00a | 1.18a | 0.84a | 0.00a | 0.00a | 0.00a | 0.00a | 1.18a | MS |
| | Total | 0.59 | 31.26 | 14.27 | 2.73 | 3.50 | 12.58 | 42.20 | 0.00 | 0.00 | 0.49 | 1.18 | |