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. 2018 Mar 1;8(17):9074–9082. doi: 10.1039/c7ra13503c

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
a

KI: experimental retention index.

b

KI*: retention index from the literature.