Table 2.
RH | RHB | ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Class | Compound | Id. | RI | S1 | S2 | S3 | Br | S4 | S1 | S2 | S3 | Br | S4 |
Aromatic aa-related | Benzaldehyde | MS, KI, Std | 960 | 16.7 | 4.4 | 461.2 | 199.1 | 72.6 | 11.2 | 0.2 | 223.3 | 242.7 | 49.7 |
Benzenacetaldehyde | MS, KI, Std | 1042 | 0.4 | 0.3 | 18.9 | 30.2 | 9.9 | 0.3 | n.d. | 18.1 | 13.1 | 3.8 | |
Benzoic acid | MS, KI | 1164 | 1.1 | 0.3 | 69.5 | 46.4 | 39.7 | 1.0 | 0.1 | 35.3 | 49.6 | 34.8 | |
4-vinylphenol | MS, KI | 1219 | n.d. | 0.1 | 21.1 | 16.7 | 14.8 | n.d. | n.d. | 11.8 | 29.3 | 19.8 | |
Chavicol | MS, KI | 1253 | n.d. | n.d. | 0.7 | 6.7 | 40.0 | n.d. | n.d. | n.d. | 7.6 | 10.5 | |
Eugenol | MS, KI, Std | 1358 | n.d. | n.d. | 12.6 | 85.6 | 158.4 | n.d. | n.d. | 6.4 | 71.0 | 68.4 | |
Vanillin | MS, KI, Std | 1394 | 0.2 | n.d. | 10.5 | 13.6 | 21.5 | 1.4 | n.d. | 11.1 | 16.5 | 13.7 | |
Branched chain aa-related | Iso valeric acid | MS, KI | 828 | n.d. | n.d. | 115.2 | 93.3 | 71.9 | n.d. | n.d. | 110.1 | 77.4 | 28.4 |
Fatty acid-related | 2-hexen-1-ol-E | MS, KI | 854 | 0.8 | 0.1 | 123.7 | 29.7 | 8.2 | 0.5 | 10.0 | 82.3 | 31.8 | 12.7 |
3-hexen-1-ol-acetate-Z | MS, KI | 1005 | n.d. | n.d. | 7.7 | 11.0 | 9.7 | n.d. | 3.3 | 4.6 | 10.0 | 7.8 | |
2-hexen-1-ol acetate-E | MS, KI | 1015 | n.d. | n.d. | 5.2 | 31.7 | 9.7 | n.d. | 0.3 | n.d. | 22.8 | n.d. | |
Dodecane | MS, KI | 1189 | n.d. | n.d. | 25.2 | 41.7 | 28.6 | n.d. | 0.3 | 27.6 | 53.1 | 26.0 | |
Dodecanoic acid | MS, KI | 1556 | n.d. | n.d. | 41.6 | 195.0 | 162.8 | n.d. | n.d. | 8.7 | 24.5 | 19.0 | |
Tetradecanoic acid | MS, KI | 1758 | n.d. | n.d. | 22.6 | 42.0 | 46.2 | n.d. | n.d. | 9.1 | 29.8 | 10.0 | |
Unknown Fatty acid-rel.-1 | 1957 | 0.4 | 0.4 | 286.7 | 441.3 | 451.0 | 0.5 | 0.1 | 214.6 | 397.2 | 238.6 | ||
Unknown Fatty acid-rel.-2 | 2103 | 0.3 | 0.1 | 69.6 | 39.5 | 3.1 | 0.2 | 0.2 | 100.8 | 102.0 | 14.3 | ||
Methyl linoleate | MS, KI | 2127 | 0.3 | 0.4 | 125.3 | 160.8 | 206.8 | 0.6 | 0.1 | 123.8 | 209.5 | 161.6 | |
Furan-related | 2.5-Furandione | MS, KI | 833 | 3.2 | 12.2 | 2007.3 | 2195.3 | 3009.0 | 3.3 | n.d. | 1668.4 | 3930.2 | 2313.2 |
3-methyl-2.5-furandione (put.) | MS | 941 | 0.1 | 0.2 | 389.9 | 387.9 | 197.1 | 0.1 | 0.1 | 438.9 | 940.4 | 230.2 | |
dihydro-2.5-furandione (put.) | MS | 1022 | 0.4 | 0.4 | 144.9 | 210.7 | 278.8 | 0.3 | n.d. | 131.9 | 208.4 | 278.9 | |
3.4-dimethyl-2.5-furandione (put.) | MS | 1038 | n.d. | n.d. | 13.4 | 11.4 | 4.6 | n.d. | n.d. | 17.2 | 47.3 | 41.6 | |
Unknown Furan-related | 1110 | n.d. | n.d. | 19.6 | 25.8 | 18.8 | n.d. | n.d. | 8.8 | 20.4 | 12.6 | ||
Lactones | γ-hexalactone | MS, KI | 1043 | n.d. | n.d. | 16.5 | 31.2 | 119.5 | n.d. | 0.1 | 4.0 | 12.7 | 81.5 |
δ-deca-2.4-dienolactone (put.) | MS | 1453 | n.d. | n.d. | 2.6 | 2.1 | 27.8 | n.d. | 6.1 | n.d. | n.d. | 5.2 | |
δ -decalactone | MS, KI | 1493 | n.d. | n.d. | 10.7 | 1.8 | 91.0 | n.d. | n.d. | n.d. | n.d. | 17.3 | |
Monoterpenes | Linalool | MS, KI. Std | 1090 | n.d. | n.d. | 7.2 | 14.9 | 101.8 | n.d. | n.d. | n.d. | n.d. | 21.8 |
Carvone | MS, KI | 1244 | n.d. | n.d. | n.d. | 3.0 | n.d. | n.d. | 0.1 | 1.1 | n.d. | n.d. | |
8-Hydroxylinalool | MS, KI | 1336 | n.d. | n.d. | n.d. | n.d. | n.d. | n.d. | n.d. | n.d. | n.d. | n.d. | |
Norisoprenoids | 3-hydroxy-β-damascone (put.) | MS | 1618 | n.d. | n.d. | 24.8 | 65.7 | 116.8 | n.d. | n.d. | 69.9 | 221.8 | 258.0 |
Unknown norisoprenoid-1 | 1658 | n.d. | n.d. | 1.0 | 11.5 | 31.3 | n.d. | 1.3 | 15.0 | 48.0 | 83.1 | ||
3-hydroxy-5.6-epoxy-β-ionone | MS, KI | 1683 | 0.1 | n.d. | 14.1 | 12.1 | 18.6 | n.d. | n.d. | 27.1 | 52.3 | 66.1 | |
4-hydroxy-3.5.6-trimethyl-4-(3-oxo-1-butenyl)-2-cyclohexen-1-one. (put.) | MS | 1785 | 0.1 | n.d. | 43.4 | 60.4 | 144.8 | 0.1 | n.d. | 213.4 | 259.5 | 410.2 | |
Unknown norisoprenoid-2 | 2220 | n.d. | 0.1 | 183.9 | 211.7 | 221.4 | n.d. | 0.3 | 112.3 | 183.0 | 87.1 | ||
Unknown norisoprenoid-3 | 2244 | n.d. | 0.1 | 248.1 | 282.1 | 271.3 | n.d. | 0.1 | 157.8 | 258.9 | 125.2 | ||
Others | 1H-pyrazole (put.) | MS | 1036 | n.d. | n.d. | 110.7 | 120.5 | 74.3 | n.d. | 0.3 | 133.4 | 284.9 | 60.6 |
Pentanoic acid-4-oxo (put.) | MS | 1143 | n.d. | 0.1 | 28.7 | 18.8 | 12.2 | n.d. | n.d. | 23.8 | 38.0 | 9.8 | |
Salicylic acid (put.) | MS | 1294 | 0.3 | n.d. | 74.6 | 98.0 | 74.5 | 0.2 | n.d. | 82.5 | 120.8 | 50.6 | |
2-propanoic acid 3-phenyl-E (put.) | MS | 1622 | 2.0 | 2.3 | 457.1 | 362.7 | 263.5 | 1.3 | n.d. | 366.7 | 463.0 | 124.5 | |
Unknown-1 | 1829 | 0.1 | 0.2 | 118.0 | 57.0 | 7.5 | 0.2 | 0.1 | 120.6 | 122.0 | 6.5 | ||
Unknown-2 | 1906 | n.d. | 0.1 | 120.4 | 232.5 | 323.4 | n.d. | 0.1 | 99.5 | 243.0 | 179.5 | ||
Unknown-3 | 1894 | 0.6 | 0.5 | 212.1 | 287.1 | 236.2 | 0.5 | 0.1 | 178.9 | 337.1 | 94.5 |
Average data of 4 to 8 replicates. Values are in ng/g fresh weight. Id.: identification method (MS, Mass Spectrometry; KI, Kovacs Index; Std, standard compound data). Positive compound identification was obtained by matching both MS and KI or Standard compound data. Otherwise, putative (put.) best compound is listed. RI: retention index. aa: amino acid. n.d.: not detectable.