NIST library-based putative identification of the volatile metabolites analyzed by HSGC-MSa,b.
VIP | t R (min) | m/z | KI | KI* | NIST match | Compound | Formula | CAS number |
---|---|---|---|---|---|---|---|---|
1.9093 | 8.630 | 170.0 | 988.21 | 989.00 | — | 2,6-Dimethyl-2-heptanol | C9H20O | 13 254-34-7 |
1.7387 | 32.050 | 355.0 | 1981.72 | — | — | Unknown | — | — |
1.7205 | 6.310 | 93.0 | 919.33 | 921.00 | 879 | Tricyclene | C10H16 | 508-32-7 |
1.6931 | 11.591 | 184.0 | 1061.81 | 891 | 2,5,9-Trimethyldecane | C13H28 | 62 108-22-9 | |
1.6922 | 7.563 | 106.0 | 956.53 | 952.00 | 630 | Benzaldehyde | C7H6O | 100-52-7 |
1.6702 | 15.875 | 152.0 | 1160.66 | 1148.00 | 811 | cis-Verbenol | C10H16O | 1845-30-3 |
1.6536 | 22.811 | 109.0 | 1309.26 | 1312.00 | 711 | trans-Carvyl acetate | C12H18O2 | 1134-95-8 |
1.6171 | 10.099 | 136.0 | 1025.84 | 1024.00 | 834 | Limonene | C10H16 | 5989-54-8 |
1.5573 | 26.163 | 204.0 | 1446.77 | 1449.00 | 785 | cis-β-Farnesene | C15H24 | 28 973-97-9 |
1.5444 | 29.951 | 222.0 | 1669.01 | 1685.00 | 761 | Eudesm-7(11)-en-4-ol | C15H24 | 473-04-1 |
1.5439 | 26.903 | 204.0 | 1486.00 | 1485.00 | 843 | 2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene | C15H25 | — |
1.5359 | 28.477 | 236.0 | 1566.23 | 1561.00 | 812 | (1R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl(E)-2-methylbut-2-enoate | C15H24O2 | — |
1.5297 | 17.105 | 59.0 | 1188.29 | 1186.00 | 503 | α-Terpineol | C10H18O | 98-55-5 |
1.5164 | 27.666 | 204.0 | 1525.23 | 1521.00 | 824 | β-Sesquiphellandrene | C15H24 | 20 307-839 |
1.5121 | 26.827 | 204.0 | 1481.97 | 1481.00 | — | γ-Curcumene | C15H24 | 644-30-4 |
KI: experimental retention index.
KI*: retention index from the literature.