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. 2018 Apr 24;14:900–910. doi: 10.3762/bjoc.14.77

Table 3.

Volatiles emitted by Aspergillus clavatus NRRL 1.

compounda Ib I (lit.)c ident.d integrale

ethyl 2-methylbutyrate (27) 849 850 [41] ms (911) 0.3%
ethyl 3-methylbutyrate (28) 853 849 [27] ms (915), ri 0.3%
3-methylbutyl acetate (29) 879 869 [27] ms (958), ri 1.0%
2-methylbutyl acetate (32) 883 875 [27] ms (955), ri 1.4%
ethyl pentanoate (35) 908 901 [27] ms (935), ri 33.0%
α-pinene (44) 932 932 [27] ms (929), ri 1.0%
oct-1-en-3-ol (1) 979 974 [27] ms (899), ri 0.7%
ethyl hexanoate (36) 1000 997 [27] ms (955), ri 1.9%
limonene (3) 1024 1024 [27] ms (857), ri 0.2%
isobutyl pentanoate (39) 1052 std 0.9%
ethyl (Z)-hept-4-enoate (41) 1092 std 0.4%
ethyl heptanoate (37) 1096 1097 [27] ms (961), ri 11.4%
3-methylbutyl pentanoate (30) 1150 1152 [42] std 0.3%
2-methylbutyl pentanoate (33) 1153 std 0.1%
ethyl benzoate (42) 1167 1169 [27] ms (938), ri 9.9%
ethyl octanoate (38) 1194 1196 [27] ms (896), ri 0.5%
(8S*,9R*,10S*)-8,10-dimethyl-1-octalin (5) 1221 1224 [28] ms (868), ri 0.3%
(8S*,10R*)-8,10-dimethyl-1(9)-octalin (6) 1231 1233 [28] ms (850), ri 0.1%
ethyl phenylacetate (43) 1242 1243 [27] ms (867), ri 0.2%
isobutyl heptanoate (40) 1246 std 0.4%
3-methylbutyl heptanoate (31) 1343 std <0.1%
2-methylbutyl heptanoate (34) 1347 std <0.1%
daucene (19) 1378 1380 [27] ms (851), ri 0.2%
geosmin (45) 1395 1399 [27] ms (895), ri 0.4%
trans-α-bergamotene (12) 1434 1432 [27] ms (964), ri 13.5%
β-bisabolene (10) 1507 1505 [27] ms (926), ri 0.5%

aUnidentified compounds and contaminants such as plasticisers are not listed. bRetention index on a HP5-MS GC column. cRetention index data from the literature. dCompound identification is based on matching mass spectrum to a library spectrum (ms, match factor given in brackets, identical mass spectra would produce a match factor of 1000), identical or closely matching retention index (ri), comparison to an authentic standard (std). ePercent of total peak area of the total ion chromatogram. The sum of integrals is lower than 100%, because unidentified compounds and contaminants are not included.