Table 2.
VOCs identified in headspace extracts of C. velia CCAP 1602/1.
|
Compound |
RI (exp)[a] |
RI (lit)[b] |
Identification[c] |
Replicate 1 |
Replicate 2 |
|---|---|---|---|---|---|
|
dimethyl disulfide (28) |
763 |
761 |
ms, ri |
xx |
xx |
|
4‐hydroxy‐4‐methyl‐2‐pentanone (95) |
838 |
839 |
ms, ri |
xx |
xxx |
|
hexanenitrile (39) |
878 |
879 |
ms, ri |
xx |
xx |
|
nitric acid pentyl ester (51) |
923 |
905 |
ms, ri |
xx |
x |
|
dimethyl trisulfide (29) |
965 |
965 |
ms, ri |
xx |
xx |
|
oct‐1‐en‐3‐ol (23) |
980 |
980 |
ms, ri |
xxx |
xx |
|
octan‐3‐one (70) |
985 |
985 |
ms, ri |
xxx |
xx |
|
benzoxazole (16) |
1016 |
1067 |
ms, ri |
xx |
xx |
|
3,4,4‐trimethylcyclopent‐2‐en‐1‐one (1) |
1049 |
1050 |
ms, ri, syn |
xx |
xx |
|
(E)‐oct‐2‐en‐1‐ol (22) |
1070 |
1070 |
ms, ri, syn |
xx |
|
|
nonan‐2‐one (53) |
1092 |
1092 |
ms, ri |
xx |
xx |
|
2‐methylbenzofuran (17) |
1100 |
1109 |
ms, ri |
xx |
|
|
2‐hydroxy‐2,6,6‐trimethylcyclohexan‐1‐one (2) |
1107 |
1109 |
ms, ri, syn |
xx |
xx |
|
4‐oxoisophorone (3) |
1143 |
1142 |
ms, ri |
xxx |
xxx |
|
(E)‐non‐2‐enal (25) |
1160 |
1160 |
ms, ri |
xx |
|
|
2,6,6‐trimethyl‐1,4‐cyclohexanedione (4) |
1168 |
1169 |
ms, ri |
xx |
xx |
|
2,3‐benzothiophene (18) |
1189 |
1189 |
ms, ri |
xx |
xx |
|
3,5,5‐trimethylcyclohex‐3‐en‐1‐yl acetate (5) |
1194 |
1192 |
ms, ri, syn |
xx |
xx |
|
1,2,3‐benzothiadiazol (21) |
1249 |
|
ms |
xx |
xx |
|
1‐phenylbutan‐1‐one (12) |
1252 |
1252 |
ms, ri |
xx |
xx |
|
(E)‐dec‐2‐enal (26) |
1262 |
1262 |
ms, ri |
xx |
|
|
1‐(2‐hydroxyphenyl)propan‐1‐one (14) |
1262 |
1262 |
ms, ri, syn |
xx |
xx |
|
3‐methylbenzo[b]thiophene (19) |
1307 |
1306 |
ms, ri, syn |
xx |
xx |
|
9‐methyldecanenitrile (42) |
1351 |
|
ms |
xx |
|
|
unknown compound M [196] |
1486 |
|
|
xxx |
xxx |
|
(E)‐β‐ionone (6) |
1487 |
1486 |
ms, ri |
xx |
xx |
|
dihydrobovolide (27) |
1520 |
1525 |
ms, ri, syn |
xx |
xx |
|
unknown compound M [180] |
1526 |
|
|
xx |
xx |
|
dihydroactinidiolide (7) |
1531 |
1532 |
ms, ri |
xx |
xx |
|
2,2′,5,5′‐tetramethyl‐1,1′‐biphenyl‐Isomer |
1681 |
|
ms |
xx |
xx |
|
dibenzo[b,d]thiophene (20) |
1750 |
1742 |
ms, ri |
xx |
x |
[a] The retention indices are averaged values of the measurements of all used replicates. [b] Retention indices were from NIST Chemistry WebBook or our own database. [c] The compounds were identified by comparison of the mass spectrum to a database spectrum (ms), comparison of the retention index to a published retention index on the same or similar GC fused silica capillary column (ri) or comparison to a synthetic or commercially available reference compound (syn). exp=experimental. lit=literature. The amounts of the compounds are given as 0–2 % (x), 2–20 % (xx), 20–100 % (xxx) relative to the largest peak area in the total ion chromatogram.