Table 1.
Sesquiterpene hydrocarbons identified in headspace of Lemberger (Vitis vinifera subsp. vinifera, clone 1Gm, exocarp).
| compounda | Ib | I (lit.)c | identificationd/verificatione |
| α-cubebene (10) | 1467 | 1460 [19] | ms (874, 882), ri, d2-DOX, d3-MVL |
| δ-elemene (3) | 1478 | 1479 [20] | ms (859, 864), ri, n.d.f, d3-MVL |
| α-ylangene (5) | 1497 | 1483 [21] | ms (860, 877), ri, d2-DOX, d3-MVL |
| α-copaene (7) | 1505 | 1496 [19] | ms (865, 872), ri, d2-DOX, d3-MVL |
| β-bourbonene (9) | 1532 | 1519 [19] | ms (853, 863), ri, d2-DOX, d3-MVL |
| β-cubebene (11) | 1549 | 1537 [19] | ms (869, 883), ri, d2-DOX, d3-MVL |
| β-ylangene (6) | 1588 | 1568 [19] | ms (852, 856), ri, d2-DOX, d3-MVL |
| β-elemene (1) | 1598 | 1592 [22] | ms (903, 906), ri, n.d.f, d3-MVL |
| α-guaiene (18) | 1600 | 1591 [23] | ms (871, 892), ri, d2-DOX, d3-MVL |
| β-copaene (8) | 1605 | 1598 [24] | ms (847, 856), ri, d2-DOX, d3-MVL |
| (E)-β-caryophyllene (17) | 1612 | 1604 [25] | ms (928, 939), ri, d2-DOX, d3-MVL |
| guaia-6,9-diene (19) | 1618 | n.a.g | ms (824, 833), d2-DOX, d3-MVL |
| γ-elemene (2) | 1646 | 1650 [20] | ms (864, 882), ri, d2-DOX, d3-MVL |
| α-humulene (4) | 1685 | 1690 [20] | ms (888, 906), ri, d2-DOX, d3-MVL |
| δ-selinene (15) | 1705 | n.a.g | ms (841, 887), n.d.f, d3-MVL |
| (+)-valencene (12) | 1736 | 1731 [26] | ms (884, 904), ri, d2-DOX, std, n.d.h |
| δ-cadinene (14) | 1769 | 1770 [20] | ms (858, 900), ri, d2-DOX, d3-MVL |
| γ-cadinene (13) | 1774 | 1760 [23] | ms (852, 881), ri, d2-DOX, d3-MVL |
| selina-3,7(11)-diene (16) | 1796 | 1778 [27] | ms (872, 881), ri, n.d.f, d3-MVL |
| calamenene (isomer) (23) | 1845 | 1837 [27] | ms (786, 814), ri, n.d.f, d3-MVL |
| α-calacorene (21) | 1929 | 1919 [27] | ms (746, 854), ri, n.d.f, d3-MVL |
| β-calacorene (22) | 1971 | 1939 [25] | ms (836, 898), ri, n.d.f, d3-MVL |
| α-corocalene (24) | 2073 | n.a.g | ms (864, 882), n.d.f, d3-MVL |
| cadalene (25) | 2237 | 2231 [21] | ms (869, 880), ri, n.d.f, d3-MVL |
| guaiazulene (20) | 2417 | n.a.g | ms (872, 880), n.d.f, std, d3-MVL |
aUnidentified compounds are not listed. bRetention index I on a DB-WAX Ultra Inert column. cRetention index data from literature. dCompound identification is based on matching mass spectrum to a library spectrum (ms, match factor and reverse match factor given in brackets, identical mass spectra would produce a match factor of 1000), identical or closely matching retention index (ri) and comparison to a commercially available standard compound (std). eVerification of the found sesquiterpene hydrocarbons was carried out by in vivo labeling with [5,5-2H2]-1-deoxy-ᴅ-xylulose (d2-DOX) and [6,6,6-2H3]-(±)-mevalonolactone (d3-MVL) as stable isotope-labeled precursors. fThe compound could not be detected in d2-DOX feeding experiments or the mass spectra could not be evaluated. gRetention index data on a WAX column were not available. hThe compound could not be detected in d3-MVL feeding experiments or the mass spectra could not be evaluated.