Table 3.
Compound | CAS | m/z for SIM | M [ppbv] | 1.5 (n = 3) | 2.25 (n = 4) | 3 (n = 4) | 3.75 (n = 5) | 4.5 (n = 5) | 5.20 (n = 4) | 6 (n = 6) | 24 (n = 5) | 26 (n = 4) | 28 (n = 3) |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
A) |
|
|
|
|
|
|
|
|
|
|
|
|
|
3-methyl-1-butanol |
123-51-3 |
55, 70 |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
62.56 |
148.4 |
142.2 |
ethanol* |
64-17-5 |
- |
102.1 |
623.5 |
322.2 |
396.4 |
441.4 |
548.9 |
800.0 |
761.6 |
203.1 |
333.3 |
350.4 |
2-butanol# |
78-92-2 |
45 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
1.5E + 04 |
8.5E + 03 |
2-nonanone |
821-55-6 |
43, 56, 71 |
<LOD |
1.091 |
1.586 |
3.855 |
6.372 |
10.29 |
15.33 |
14.83 |
12.24 |
21.82 |
22.42 |
2-pentanone |
107-87-9 |
43, 86 |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
0.526 |
0.910 |
0.901 |
12.91 |
19.30 |
17.94 |
2-heptanone |
110-43-0 |
43, 71 |
n.d. |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
0.286 |
0.259 |
2.700 |
4.789 |
3.622 |
4-heptanone |
123-19-3 |
43, 71 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
<LOD |
0.422 |
0.496 |
1.000 |
2.079 |
1.088 |
3-octanone* |
106-68-3 |
- |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
<LOD |
0.557 |
0.817 |
<LOD |
2-butanone* |
78-93-3 |
- |
10.08 |
25.49 |
23.57 |
15.89 |
17.90 |
17.11 |
19.39 |
14.65 |
30.39 |
40.55 |
40.03 |
methyl isobutyl ketone# |
108-10-1 |
85, 100 |
3.8E + 04 |
8.7E + 04 |
8.0E + 04 |
5.5E + 04 |
7.9E + 04 |
6.5E + 04 |
7.6E + 04 |
6.4E + 04 |
2.3E + 05 |
3.8E + 05 |
2.7E + 05 |
ethyl acetate |
141-78-6 |
61 |
<LOD |
1.936 |
1.123 |
0.777 |
1.556 |
1.167 |
1.088 |
1.231 |
1.972 |
2.686 |
1.895 |
methyl 2-methylbutyrate |
868-57-5 |
56, 85 |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
n.d. |
0.637 |
1.669 |
methyl methacrylate* |
80-62-6 |
- |
24.81 |
38.14 |
44.49 |
32.28 |
44.03 |
36.81 |
46.67 |
38.67 |
47.72 |
54.17 |
48.13 |
ethyl 2-methylbutyrate# |
7452-79-1 |
57, 74, 85 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
7.5E + 04 |
1.4E + 05 |
1.8E + 05 |
2-methylbutyl isobutyrate# |
2445-69-4 |
55, 70 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
5.2E + 05 |
1.2E + 06 |
1.3E + 06 |
isoamyl butyrate# |
106-27-4 |
43, 71 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
2.5E + 05 |
1.4E + 06 |
7.6E + 05 |
2-methylbutyl 2-methylbutyrate# |
2445-78-5 |
57, 70, 85 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
2.7E + 06 |
7.6E + 06 |
9.7E + 06 |
amyl isovalerate# |
25415-62-7 |
57, 70, 85 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
1.9E + 06 |
3.9E + 06 |
6.1E + 06 |
dimethyl sulfide (DMS) |
75-18-3 |
47, 62 |
<LOD |
<LOD |
<LOD |
n.d. |
<LOD |
<LOD |
<LOD |
1.295 |
99.54 |
143.0 |
173.6 |
Dimethyl disulfide (DMDS) |
624-92-0 |
94 |
0.580 |
1.817 |
1.042 |
0.663 |
0.605 |
0.538 |
0.600 |
0.597 |
5.909 |
14.11 |
11.09 |
dimethyl trisulfide (DMTS) |
3658-80-8 |
126 |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
0.324 |
0.764 |
1.106 |
methanethiol |
74-93-1 |
47 |
33.03 |
45.55 |
47.77 |
21.86 |
21.31 |
18.22 |
25.25 |
24.64 |
261.2 |
418.0 |
318.1 |
mercaptoacetone# |
24653-75-6 |
90 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
1.7E + 05 |
2.6E + 05 |
2.1E + 05 |
2-methoxy-5-methylthiophene# |
31053-55-1 |
113 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
1.1E + 06 |
2.0E + 06 |
1.6E + 06 |
3-(ethylthio)-propanal# |
5454-45-5 |
62 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
5.1E + 04 |
3.2E + 05 |
7.9E + 05 |
1-undecene |
821-95-4 |
41, 55, 69 |
0.337 |
3.687 |
4.891 |
7.566 |
15.30 |
27.24 |
49.10 |
58.73 |
317.5 |
296.1 |
245.0 |
2-methyl-2-butene |
513-35-9 |
55, 70 |
<LOD |
<LOD |
<LOD |
0.138 |
0.221 |
0.324 |
0.492 |
0.651 |
0.524 |
0.512 |
0.406 |
1,10-undecadiene |
13688-67-0 |
41, 55, 69 |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
0.516 |
0.838 |
0.993 |
6.813 |
6.349 |
4.515 |
1-nonene |
124-11-8 |
55, 70, 126 |
0.269 |
0.419 |
0.336 |
0.299 |
0.370 |
0.419 |
0.541 |
0.588 |
2.613 |
3.401 |
2.623 |
1-decene |
872-05-9 |
55, 70 |
<LOD |
<LOD |
0.283 |
0.207 |
0.203 |
0.221 |
0.289 |
0.325 |
1.178 |
1.213 |
0.910 |
1-dodecene |
112-41-4 |
57, 70, 85 |
1.861 |
4.596 |
3.341 |
2.211 |
3.221 |
2.017 |
3.148 |
2.646 |
9.494 |
9.129 |
8.242 |
butane |
106-97-8 |
58 |
0.331 |
0.471 |
0.283 |
0.160 |
0.143 |
0.154 |
0.275 |
0.184 |
0.673 |
1.482 |
1.400 |
isoprene* |
78-79-5 |
- |
<LOD |
2.110 |
3.156 |
7.121 |
10.28 |
12.25 |
14.77 |
16.80 |
20.40 |
20.09 |
12.47 |
10-methyl-1-undecene# |
22370-55-4 |
57, 70, 85 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
3.3E + 05 |
3.2E + 05 |
2.9E + 05 |
pyrrole |
109-97-7 |
41, 67 |
1.105 |
29.62 |
48.16 |
49.66 |
39.84 |
20.50 |
22.59 |
13.12 |
15.55 |
21.01 |
17.50 |
3-methylpyrrole* |
616-43-3 |
- |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
<LOD |
5.272 |
8.278 |
24.74 |
24.57 |
18.92 |
1-vinyl aziridine# |
5628-99-9 |
41, 67 |
0 |
2.3E + 07 |
2.8E + 07 |
2.1E + 07 |
1.1E + 07 |
4.8E + 06 |
3.5E + 06 |
1.1E + 06 |
5.0E + 04 |
4.6E + 05 |
0 |
B) | |||||||||||||
butanedione |
431-03-8 |
86 |
77.22 |
122.9 |
112.9 |
57.27 |
50.76 |
24.49 |
22.30 |
9.568 |
5.131 |
7.535 |
8.746 |
benzaldehyde |
100-52-7 |
107 |
183.9 |
145.2 |
102.2 |
26.50 |
13.11 |
9.944 |
9.434 |
7.024 |
5.698 |
7.082 |
8.538 |
acetaldehyde |
75-07-0 |
43 |
515.5 |
340.6 |
316.1 |
65.15 |
47.75 |
53.22 |
87.89 |
87.14 |
30.84 |
42.56 |
22.97 |
methacroleian |
78-85-3 |
70 |
3.291 |
4.175 |
3.237 |
0.922 |
0.502 |
0.209 |
0.187 |
<LOD |
<LOD |
<LOD |
<LOD |
3-methylbutanal* |
590-86-3 |
- |
419.6 |
832.1 |
620.1 |
191.3 |
126.8 |
45.23 |
37.63 |
14.52 |
24.89 |
57.25 |
41.17 |
nonanal |
124-19-6 |
43, 58, 71 |
13.44 |
9.317 |
8.969 |
6.332 |
7.285 |
7.379 |
7.397 |
6.608 |
4.122 |
6.176 |
6.222 |
propanal |
123-38-6 |
57 |
2.944 |
3.382 |
2.222 |
0.958 |
1.132 |
0.967 |
1.112 |
0.863 |
<LOD |
<LOD |
<LOD |
3-methyl-2-butenal |
107-86-8 |
55, 84 |
1.266 |
1.578 |
1.617 |
0.953 |
0.856 |
0.641 |
0.515 |
<LOD |
<LOD |
<LOD |
n.d. |
acrolein |
107-02-8 |
56 |
9.951 |
7.257 |
11.23 |
9.622 |
6.918 |
7.082 |
9.965 |
7.432 |
4.036 |
3.915 |
3.628 |
butanal* |
123-72-8 |
- |
24.35 |
22.71 |
11.00 |
1.305 |
<LOD |
1.129 |
1.837 |
2.259 |
<LOD |
<LOD |
<LOD |
2-methylpropanal* |
78-84-2 |
- |
181.9 |
273.3 |
199.8 |
80.03 |
28.30 |
11.41 |
7.520 |
4.378 |
4.057 |
6.026 |
4.851 |
octanal* | 124-13-0 | - | 5.424 | 4.226 | 4.282 | 3.410 | 2.448 | 2.507 | 3.011 | 1.791 | 1.266 | 1.950 | 2.580 |
Bold numbers indicate significant difference (Kruskal-Wallis test) between VOC concentrations in bacteria cultures and medium (m) headspace (p < 0.05). * TIC mode analysis with determined concentrations (ppbv) and # SIM mode analysis semi-quantified by peak area, n=32 for medium control.