Table 7.
Identification and quantification parameters for GC-MS analysis.
| Parameters | RT/min | LRI | Qion | ID | Chemical Standard |
|---|---|---|---|---|---|
| Aldehydes | |||||
| 2,4-Decadienal | 67.87 | 1837 | 81 | S, MS, RI | Sigma |
| 2,4-Heptadienal (E,E) | 49,36 | 1518 | 81 | S, MS, RI | Sigma |
| 2,4-Heptadienal (Z,Z) | 47.49 | 1488 | 81 | S, MS, RI | Sigma |
| 2,4-Nonadienal | 61.83 | 1728 | 81 | S, MS, RI | Sigma |
| 2-Heptenal | 38.01 | 1344 | 41 | S, MS, RI | Sigma |
| 5-Hydroxymethylfurfural | 100.53 | 2525 | 97 | S, MS, RI | Sigma |
| 5-Methyl-furfural | 54.47 | 1601 | 110 | S, MS, RI | Sigma |
| Benzeneacetaldehyde | 58.90 | 1676 | 91 | S, MS, RI | Sigma |
| Benzaldehyde | 51.54 | 1553 | 106 | S, MS, RI | Sigma |
| Decanal | 49.32 | 1518 | 43 | S, MS, RI | Sigma |
| Furfural | 47.70 | 1492 | 96 | S, MS, RI | Sigma |
| Heptanal | 28.29 | 1201 | 44 | S, MS, RI | Sigma |
| Hexanal | 21.27 | 1097 | 44 | S, MS, RI | Sigma |
| Nonanal | 42.53 | 1412 | 57 | S, MS, RI | Sigma |
| Higher alcohols | |||||
| 1-Butanol | 25.20 | 1555 | 56 | S, MS, RI | Sigma |
| 1-Decanol | 64.67 | 1779 | 55 | S, MS, RI | Sigma |
| 1-Heptanol | 46.33 | 1471 | 70 | S, MS, RI | Sigma |
| 1-Hexanol | 39.61 | 1368 | 41 | S, MS, RI | Sigma |
| 1-Methoxy-2-propanol | 24.03 | 1138 | 45 | S, MS, RI | Sigma |
| 1-Octadecanol | 104.93 | 2604 | 83 | S, MS, RI | Sigma |
| 1-Octanol | 52.77 | 1573 | 56 | S, MS, RI | Sigma |
| 1-Pentanol | 32.50 | 1263 | 42 | S, MS, RI | Sigma |
| 2-Heptanol | 37.20 | 1332 | 45 | S, MS, RI | Sigma |
| trans-2-Hexene-1-ol | 43.28 | 1423 | 57 | S, MS, RI | Sigma |
| cis-2-Hexene-1-ol | 41.76 | 1446 | 57 | S, MS, RI | Sigma |
| 2-Methyl-1-butanol | 29.55 | 1220 | 57 | S, MS, RI | Sigma |
| 2-Pentadecanol | 75.47 | 1983 | 45 | S, MS, RI | Sigma |
| 2-Pentene-1-ol | 37.40 | 1335 | 57 | S, MS, RI | Sigma |
| cis-3-Hexene-1-ol | 41.76 | 1405 | 41 | S, MS, RI | Sigma |
| trans-3-Hexene-1-ol | 40.42 | 1380 | 41 | S, MS, RI | Sigma |
| 3-Octanol | 42.19 | 1407 | 59 | S, MS, RI | Sigma |
| Isoamyl alcohol | 29.80 | 1223 | 55 | S, MS, RI | Sigma |
| Isobutanol | 21.66 | 1102 | 43 | S, MS, RI | Sigma |
| Phenylethyl alcohol | 71.53 | 1907 | 91 | S, MS, RI | Sigma |
| Volatile phenols | |||||
| 4-Ethylguaiacol | 79.53 | 2066 | 85 | S, MS, RI | Sigma |
| 4-Ethylphenol | 86.58 | 2216 | 107 | S, MS, RI | Sigma |
| 4-Vinylguaiacol | 87.46 | 2236 | 150 | S, MS, RI | Sigma |
| 4-Vinylphenol | 96.41 | 2439 | 120 | S, MS, RI. | Sigma |
| Eugenol | 86.07 | 2205 | 164 | S, MS, RI | Sigma |
| Guaiacol | 70.93 | 1895 | 124 | S, MS, RI | Sigma |
| Homovanillyl alcohol | 116.11 | 2817 | 137 | - S, MS, RI | Sigma |
| Vanillin | 103.41 | 2577 | 151 | S, MS, RI | Sigma |
| Tyrosol | 97.96 | 2473 | 107 | S, MS, RI | Sigma |
| Terpenes | |||||
| 1,8-Terpin | 82.19 | 2122 | 81 | S, MS, RI | Sigma |
| 6,7-Dihydro-7-hydroxylinalool | 75.92 | 1992 | 71 | S, MS, RI | Boc Science |
| 8-Hidroxylinalool | 92.01 | 2339 | 43 | S, MS, RI | Aurora Fine Chemicals |
| α-Terpineol | 61.39 | 1720 | 59 | S, MS, RI | Extrasynthese |
| β-Farnesen | 59.30 | 1683 | 69 | S, MS, RI | Extrasynthese |
| β-Ocimene | 62.74 | 1744 | 93 | S, MS, RI | Extrasynthese |
| cis-Linalool oxide, furan | 47.54 | 1489 | 59 | S, MS, RI | Extrasynthese |
| Citronelol | 65.03 | 1785 | 69 | S, MS, RI | Extrasynthese |
| δ-Carene | 37.71 | 1340 | 93 | S, MS, RI | Extrasynthese |
| Dihydroactinidiolide | 94.54 | 2398 | 111 | S, MS, RI | Boc Science |
| Farnesol | 93.73 | 2380 | 69 | S, MS, RI | Extrasynthese |
| γ-Terpinene | 32.29 | 1260 | 93 | S, MS, RI | Extrasynthese |
| Geraniol | 69.49 | 1868 | 69 | S, MS, RI | Extrasynthese |
| Geranyl acetate | 91.81 | 2334 | 69 | S, MS, RI | Boc Science |
| Hotrienol | 56.14 | 1629 | 71 | S, MS, RI | Boc Science |
| Linalool | 52.17 | 1563 | 71 | S, MS, RI | Extrasynthese |
| Linalool oxide, pyran | 63.76 | 1762 | 68 | S, MS, RI | Boc Science |
| Neric acid | 93.83 | 2381 | 69 | S, MS, RI | Extrasynthese |
| Nerol | 67.04 | 1822 | 69 | S, MS, RI | Extrasynthese |
| Nerolidol | 79.20 | 2059 | 69 | S, MS, RI | Boc Science |
| Pseudoionon | 83.10 | 2141 | 58 | S, MS, RI | Boc Science |
| Terpendiol I | 62.31 | 1736 | 82 | MS | |
| Terpendiol II | 74.54 | 1965 | 67 | MS | |
| Terpinene-4-ol | 55.87 | 1624 | 71 | S, MS, RI | Extrasynthese |
| Tetrahydrolinalool | 44.62 | 1444 | 73 | S, MS, RI | Boc Science |
| trans-Linalool oxide, furan | 45.67 | 1460 | 59 | S, MS, RI | Extrasynthese |
| trans-Rose oxide | 39.64 | 1368 | 139 | S, MS, RI | Sigma |
| Linalyl formate | 47.38 | 1487 | 69 | S, MS, RI | Boc Science |
| Ethyl linalyl acetal | 46.95 | 1480 | 73 | S, MS, RI | Boc Science |
| 2,6-Dimethyl-3,7-octadiene-2,6-diol | 61.25 | 1718 | 82 | S, MS, RI | Boc Science |
| 2,6-Dimethyl-7-octene-2,6-diol | 76.07 | 1995 | 71 | S, MS, RI | Boc Science |
| Menthol | 57.94 | 1660 | 71 | S, MS, RI | Sigma |
| Ocimenol | 58.50 | 1669 | 93 | S, MS, RI | Extrasynthese |
| C13- norisoprenoids | |||||
| α-Ionol | 72.23 | 1920 | 95 | S, MS, RI | Sigma |
| α-Ionon | 70.00 | 1877 | 121 | S, MS, RI | Sigma |
| β-Damascenone | 68.46 | 1848 | 69 | S, MS, RI | Sigma |
| TDN | 64.43 | 1774 | 157 | S, MS, RI | Boc Science |
| Lactones | |||||
| cis-Whiskey lactone | 75.95 | 1993 | 91 | S, MS, RI | Sigma |
| δ-Nonalactone | 87.43 | 2235 | 99 | S, MS, RI | Sigma |
| γ-Butyrolactone | 58.30 | 1666 | 42 | S, MS, RI | Sigma |
| γ-Decalactone | 85.06 | 2183 | 85 | S, MS, RI | Sigma |
| γ-Hexalactone | 62.40 | 1738 | 85 | S, MS, RI | Sigma |
| γ-Nonalacton | 79.55 | 2067 | 85 | S, MS, RI | Sigma |
| γ-Octalacton | 73.94 | 1953 | 85 | S, MS, RI | Sigma |
| γ-Undecalactone | 90.28 | 2299 | 85 | S, MS, RI | Sigma |
| trans-Whiskey lactone | 72.28 | 1921 | 99 | S, MS, RI | Sigma |
| Esters | |||||
| 2-Phenylethyl acetate | 68.28 | 1845 | 105 | S, MS, RI | Sigma |
| Diethyl glutarate | 65.93 | 1801 | 143 | S, MS, RI | Sigma |
| Methyl hydroxyisovalerate | 70.10 | 1879 | 131 | S, MS, RI | Sigma |
| Diethyl hydroxysuccinate | 97.00 | 2454 | 101 | S, MS, RI | Boc Science |
| Diethyl malonate | 54.35 | 1598 | 115 | S, MS, RI | Boc Science |
| Diethyl oxalate | 43.67 | 1429 | 59 | S, MS, RI | Sigma |
| Diethyl succinate | 60.09 | 1697 | 101 | S, MS, RI | Sigma |
| Dimethyl malate | 78.27 | 2040 | 103 | S, MS, RI | Sigma |
| Ethyl benzeneacetate | 66.64 | 1814 | 91 | S, MS, RI | Sigma |
| Ethyl butanoate | 18.32 | 1053 | 71 | S, MS, RI | Sigma |
| Ethyl decanoate | 57.48 | 1652 | 88 | S, MS, RI | Sigma |
| Ethyl furoate | 57.28 | 1648 | 95 | S, MS, RI | Sigma |
| Ethyl hexadecanoate | 88.91 | 2268 | 88 | S, MS, RI | Sigma |
| Ethyl hexanoate | 31.40 | 1247 | 88 | S, MS, RI | Sigma |
| Ethyl hydrogensuccinate | 96.70 | 2445 | 101 | S, MS, RI | Sigma |
| Ethyl lactate | 39.28 | 1363 | 45 | S, MS, RI | Sigma |
| Ethyl linoleate | 101.66 | 2645 | 67 | S, MS, RI | Sigma |
| Ethyl octanoate | 45.05 | 1447 | 88 | S, MS, RI | Sigma |
| Ethyl vanillate | 107.17 | 1425 | 151 | S, MS, RI | Sigma |
| Ethyl-2-hydroxy-3-methylbutanoate | 44.82 | 1067 | 73 | S, MS, RI | Sigma |
| Ethyl-2-hydroxybutanoate | 43.41 | 1290 | 59 | S, MS, RI | Boc Science |
| Ethyl-2-methylbutanoate | 19.29 | 1350 | 57 | S, MS, RI | Boc Science |
| Ethyl-2-oxopropanoate | 34.34 | 1541 | 43 | S, MS, RI | Sigma |
| Ethyl-3-ethoxypropanoate | 38.39 | 1350 | 59 | S, MS, RI | Boc Science |
| Ethyl-3-hydroxybutanoate | 50.79 | 1541 | 43 | S, MS, RI | Boc Science |
| Ethyl-3-hydroxyhexanoate | 72.00 | 1915 | 117 | S, MS, RI | Boc Science |
| Ethyl-3-methylbutanoate | 20.30 | 1082 | 88 | S, MS, RI | Sigma |
| Ethyl-hydroxyhexanoate | 52.19 | 1563 | 69 | S, MS, RI | Sigma |
| Ethylmethyl succinate | 57.80 | 1657 | 115 | S, MS, RI | Mol Port |
| Hexyl acetate | 34.16 | 1287 | 43 | S, MS, RI | Sigma |
| Isoamyl acetate | 23.81 | 1135 | 43 | S, MS, RI | Sigma |
| Isoamyl lactate | 53.70 | 1588 | 45 | S, MS, RI | Sigma |
| Isobutyl acetate | 16.97 | 1032 | 43 | S, MS, RI | Sigma |
| Isobutyl lactate | 46.90 | 1479 | 45 | S, MS, RI | Sigma |
| Methyl hexadecanoate | 87.32 | 2233 | 74 | S, MS, RI | Sigma |
| Methyl hexanoate | 28.33 | 1202 | 74 | S, MS, RI | Sigma |
| Methyl octadecanoate | 96.36 | 2438 | 74 | S, MS, RI | Sigma |
| Methyl-2-furoate | 54.67 | 1603 | 95 | S, MS, RI | Sigma |
| Methyl-3-hydroxyoctanoate | 77.70 | 2029 | 103 | S, MS, RI | Boc Science |
| Methyl geranoate | 61.25 | 1718 | 69 | S, MS, RI | Boc Science |
| o-Methylbenzyl acetate | 92.95 | 2361 | 104 | S, MS, RI | Sigma |
| Phenyl acetate | 57.31 | 1649 | 94 | S, MS, RI | Sigma |
| Fatty acids | |||||
| 2-Methylpropionic acid | 54.73 | 1604 | 43 | S, MS, RI | MolPort |
| Butanoic acid | 58,56 | 1671 | 60 | S, MS, RI | Sigma |
| Decanoic acid | 90.90 | 2313 | 60 | S, MS, RI | Sigma |
| Heptanoic acid | 76.17 | 1997 | 60 | S, MS, RI | Sigma |
| Hexanoic acid | 70.25 | 1882 | 60 | S, MS, RI | Sigma |
| Isovaleric acid | 60.88 | 1711 | 60 | S, MS, RI | Sigma |
| Octanoic acid | 81.05 | 2097 | 60 | S, MS, RI | Sigma |
| Propanoic acid | 53.16 | 1579 | 74 | S, MS, RI | Sigma |
| Other alcohols | |||||
| 1,4-Butandiol | 73.70 | 1949 | 42 | S, MS, RI | Sigma |
| 2,6-Dimethyl-4-heptanol | 52.26 | 1565 | 69 | S, MS, RI | Sigma |
| 2-Butoxy-ethanol | 41.34 | 1394 | 57 | S, MS, RI | Sigma |
| 2-Ethyl-1-hexanol | 48.54 | 1505 | 57 | S, MS, RI | Sigma |
| 3,4-Dimethyl-2-hexanol | 35.48 | 1306 | 45 | S, MS, RI | Sigma |
| 3-Ethoxy-1-propanol | 41.34 | 1394 | 59 | S, MS, RI | Sigma |
| 3-Methyl-1-pentanol | 37.86 | 1342 | 56 | S, MS, RI | Sigma |
| 3-Methyl-3-buten-1-ol | 32.63 | 1265 | 41 | S, MS, RI | Sigma |
| 4-Ethylcyclohexanol | 49.37 | 1518 | 81 | S, MS, RI | Sigma |
| 4-Methyl-1-pentanol | 37.00 | 1329 | 56 | S, MS, RI | Sigma |
| Benzylalcohol | 71.50 | 1906 | 78 | S, MS, RI | Sigma |
| Cyclohexanol | 41.95 | 1403 | 43 | S, MS, RI | Sigma |
| Furfuril alkohol | 59.56 | 1688 | 98 | S, MS, RI | Sigma |
| 2,3-Butanediol | 51.90 | 1559 | 45 | S, MS, RI | Sigma |
| Sulfur compounds | |||||
| 4-(Methylthio)-1-butanol | 69.56 | 1869 | 61 | S, MS, RI | Sigma |
| 3-(Methylthio)-1-propanol | 62.80 | 1745 | 106 | S, MS, RI | Sigma |
| Other compounds | |||||
| 2,5-Hexadione | 50.09 | 1530 | 43 | S, MS, RI | Sigma |
| 2,7-Octanedione | 41.95 | 1403 | 43 | S, MS, RI | Aurora Fine Chemicals |
| 2H-Pyran-2,6(3H)-dione | 78.28 | 2040 | 112 | S, MS, RI | MolPort |
| 2-Pentylfuran | 31.40 | 1247 | 81 | S, MS, RI | Sigma |
| 3-Penten-2-on | 24.21 | 1141 | 69 | S, MS, RI | Sigma |
| 4-Hydroxy-4-methyl-2-pentanone | 40.46 | 1381 | 43 | S, MS, RI | Sigma |
| 4-Methyl-2-penten-2-one | 24.65 | 1147 | 55 | S, MS, RI | Sigma |
| 5-Ethyl-4-methyl-3-heptanone | 26.19 | 1170 | 57 | S, MS, RI | Aurora Fine Chemicals |
| Acetoin | 35.55 | 1307 | 45 | S, MS, RI | Sigma |
| Acetylfurane | 50.27 | 1533 | 95 | S, MS, RI | Sigma |
| Benzofurane | 66.16 | 1805 | 118 | S, MS, RI | Sigma |
| Dihydro-2-methyl-3(2H)-furanone | 63.07 | 1750 | 43 | S, MS, RI | Sigma |
| N-(2-phenylethyl)acetamide | 106.27 | 2629 | 104 | S, MS, RI | Sigma |
| N-Ethylacetamide | 57.77 | 1657 | 43 | S, MS, RI | Sigma |
RT-retention time; LRI-linear retention indices; Qion-ion qualifier; ID: S-retention time and mass spectrum consistent with standard, RI—retention index consistent with those find in the literature, MS—mass spectra consistent with those find in NIST02 electronic library.