Table 1
From: Release of volatile organic compounds (VOCs) from the lung cancer cell line CALU-1 in vitro
A: Summary of all substances identified by spectral match and confirmation of retention time | ||||
|---|---|---|---|---|
No. | Compound | tR [min] | CAS | Â |
1 | Methyl alcohol | 8,778 | 67-56-1 | Â |
2 | Dimethyl ether | 10,323 | 115-10-6 | Â |
3 | Acetaldehyde | 11,936 | 75-07-0 | Â |
4 | Methanethiol | 13,130 | 74-93-1 | Â |
5 | Isobutane | 15,785 | 75-28-5 | Â |
6 | 2-Methyl-1-propene | 16,118 | 115-11-7 | Â |
7 | Ethyl alcohol | 16,517 | 64-17-5 | Â |
8 | Acetonitrile (a) | 17,423 | 75-05-8 | Â |
9 | 2-Butene (Z or E isomer) | 17,009 | 107-01-7 | Â |
10 | Butane | 17,186 | 106-97-8 | Â |
11 | 2-Butene (E or Z isomer) | 17,360 | 115-11-7 | Â |
12 | 2-Propenal (b) | 19,310 | 107-02-8 | Â |
13 | Furan | 19,741 | 110-00-9 | Â |
14 | Propanal | 20,170 | 123-38-6 | Â |
15 | Acetone | 20,469 | 67-64-1 | Â |
16 | Isopropyl Alcohol | 21,720 | 67-63-0 | Â |
17 | 2-Methylbutane | 23,229 | 78-78-4 | Â |
18 | Ethyl ether | 23,503 | 60-29-7 | Â |
19 | 1-Propanol | 23,696 | 71-23-8 | Â |
20 | Pentane | 24,224 | 109-66-0 | Â |
21 | Methacrolein (c) | 25,375 | 78-85-3 | Â |
22 | 2-Methylpropanal (d) | 25,917 | 78-84-2 | Â |
23 | Methyl vinyl ketone | 26,795 | 78-94-4 | Â |
24 | Trichloromethane | 27,561 | 67-66-3 | Â |
25 | Tetrahydrofuran | 27,920 | 109-99-9 | Â |
26 | 2-Butanone (e) | 28,124 | 78-93-3 | Â |
27 | Ethyl acetate | 29,829 | 141-78-6 | Â |
28 | 2-Methoxy-2-methylpropane (f) | 30,377 | 1634-04-4 | Â |
29 | 2-Methyl-1-pentene | 31,692 | 763-29-1 | Â |
30 | Benzene | 32,418 | 71-43-2 | Â |
31 | Hexane | 33,003 | 110-54-3 | Â |
32 | 2-Ethylacrolein | 34,049 | 922-63-4 | Â |
33 | 3-Methylbutanal (g) | 34,587 | 590-86-3 | Â |
34 | 2-Ethoxy-2-methylpropane (h) | 35,346 | 637-92-3 | Â |
35 | 2-Pentanone | 35,868 | 107-87-9 | Â |
36 | Methyl methacrylate | 36,121 | 80-62-6 | Â |
37 | 2-Methyl-2-butenal | 37,277 | 1115-11-3 | Â |
38 | 3-Methylhexane | 38,434 | 589-34-4 | Â |
39 | Cyclopentanone | 38,750 | 120-92-3 | Â |
40 | Toluene | 39,466 | 108-88-3 | Â |
41 | Furfural | 40,044 | 98-01-1 | Â |
42 | Methyl isobutyl ketone | 40,262 | 108-10-1 | Â |
43 | Hexanal (i) | 42,001 | 66-25-1 | Â |
44 | Butyl acetate (j) | 42,624 | 123-86-4 | Â |
45 | 2,3,4-Trimethylpentane | 42,949 | 565-75-3 | Â |
46 | 2,3,3-Trimethylpentane (k) | 43,202 | 560-21-4 | Â |
47 | 4-Methylheptane | 43,385 | 589-53-7 | Â |
48 | 3-Ethylhexane | 43,580 | 619-99-8 | Â |
49 | Octane | 44,465 | 111-65-9 | Â |
50 | p-Xylene | 44,721 | 106-42-3 | Â |
51 | Styrene | 45,195 | 100-42-5 | Â |
52 | p-Xylene | 45,363 | 106-42-3 | Â |
53 | 3-Methyl-2(5H)-furanone | 45,779 | 22122-36-7 | Â |
54 | 2,3,5-Trimethylhexane (l) | 46,456 | 1069-53-0 | Â |
55 | 2,4-Dimethylheptane (m) | 46,647 | 2213-23-2 | Â |
56 | Benzaldehyde | 46,799 | 100-52-7 | Â |
57 | 4-Methyloctane (n) | 47,697 | 2216-34-4 | Â |
58 | Octanal | 50,921 | 124-13-0 | Â |
59 | Limonene | 52,217 | 138-86-3 | Â |
60 | Decane | 52,572 | 124-18-5 | Â |
Listed are substances observed in the headspace of medium as well as in the headspace of CALU-1 cancer cells. Letters in parentheses refer to peaks shown in the chromatogram of Figure 1. | ||||
B: List of compounds identified only by means of spectral library match | ||||
| Â | Compound | t R [min] | CAS | M +. |
| Â | Propene | 7,939 | 115-07-1 | 42 |
| Â | Chloromethane | 8,259 | 74-87-3 | 50 |
| Â | Acetophenone | 51,165 | 98-86-2 | 120 |
| Â | (1E)-1-Butenylbenzene | 53,069 | 824-90-8 | 132 |
| Â | Nonanal | 54,630 | 124-19-6 | 144 |
Listed are compounds detected in the headspace of medium and CALU-1 cancer cells. Relative molecular mass (RMM) of the suspected molecular ion is given for each presented compound. | ||||