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Table 1 List of the VOCs obtained from the culture medium of A549 cell line that were increased or decreased

From: Analysis of volatile organic compounds released from human lung cancer cells and from the urine of tumor-bearing mice

A

    

Increased compound

CAS No.

Classification

fold

p -value

1-Dodecanol

112-53-8

alcohols

++

< 0.01

1-Methoxy-2-propanol

107-98-2

ethers

+++

0.02

2,2,4-Trimethyl-1,3-pentanediol diisobutyrate

6846-50-0

esters

+

0.09

2,5-Hexanedione

110-13-4

ketones

+

0.08

2-Butanone

78-93-3

ketones

+

0.06

2-Phenyl-2-propanol

617-94-7

alcohols

+++

0.02

3,3,5-Trimethylcyclohexanone

873-94-9

ketones

++

0.04

3-Butene-2-one

78-94-4

ketones

+

0.03

4-Cyanocyclohexene

100-45-8

nitriles

+

0.07

Acetonitrile

75-05-8

nitriles

+

0.03

Cyclohexanone

108-94-1

ketones

+

0.04

Diethyl ether

60-29-7

ethers

++

< 0.01

Dimethyl succinate

106-65-0

esters

++

0.06

Ethanol

64-17-5

alcohols

+++

0.01

Isobutyric acid 2-ethyl-3-hydroxyhexyl ester

74367-31-0

esters

+

< 0.01

Isophorone

78-59-1

ketones

++

0.02

Orthoformic acid tri-sec-butyl ester

16754-48-6

esters

+++

0.02

tert-Butanol

75-65-0

alcohols

+

< 0.01

Decreased compound

CAS No.

Classification

fold

p-value

1,3-Di-tert-butylbenzene

1014-60-4

hydrocarbons

---

0.07

2,4-Dimethyl-1-heptene

19549-87-2

hydrocarbons

---

0.04

2,4-Di-tert-butylphenol

96-76-4

phenols

-

0.06

2,5-Dimethyl-2,5-hexanediol

110-03-2

alcohols

--

0.02

2-Methyl-1-propanol

78-83-1

alcohols

--

0.06

4,6-Dimethyl-2-heptanone

19549-80-5

ketones

--

0.05

5-Methylnonane

15869-85-9

hydrocarbons

-

0.01

Acetophenone

98-86-2

ketones

-

0.08

Benzophenone

119-61-9

ketones

---

0.04

Benzyl alcohol

100-51-6

alcohols

--

0.02

Dichloromethane

75-09-2

halogens

-

< 0.01

Maltol

118-71-8

pyrans

---

< 0.01

Styrene

100-42-5

hydrocarbons

--

0.05

B

    

Increased compound

CAS No.

Classification

fold

p-value

1-Dodecanol

112-53-8

alcohols

+++

< 0.01

2,2,4-Trimethyl-1,3-pentanediol diisobutyrate

6846-50-0

esters

+

0.03

2,2,5,5-Tetramethyltetrahydrofuran

15045-43-9

furans

+

< 0.01

2,2-Dimethyloxetane

6245-99-4

ethers

+

< 0.01

2,3-Dihydro-4-methylfuran

34314-83-5

furans

+

< 0.01

2,4,6-Trimethylpyridine

108-75-8

pyridines

+

0.01

2,4-Di-tert-butylphenol

96-76-4

phenols

+

0.01

2,5-Dimethyl-2,5-hexanediol

110-03-2

diols

+

0.03

2-Butanone

78-93-3

ketones

++

< 0.01

2-Hexanone

591-78-6

ketones

+

0.04

2-Methoxyfuran

25414-22-6

furans

+

0.02

2-Methyl-1-propanol

78-83-1

alcohols

+

0.02

2-Octanone

111-13-7

ketones

+

0.03

2-Pentanone

107-87-9

ketones

+

< 0.01

3-Aminopyrazole-4-carboxylic acid

24447-68-5

carboxylic acids

+

< 0.01

3-Methyl-3-buten-1-ol

763-32-6

alcohols

+

0.01

4-Isopropoxy-2-butanone

32541-58-5

ketones

+

0.02

4-Methylbenzyl alcohol

589-18-4

alcohols

+

< 0.01

Acetonylacetone

110-13-4

ketones

++

< 0.01

Acetophenone

98-86-2

ketones

++

< 0.01

Diethyl ether

60-29-7

ethers

++

< 0.01

Dimethyl succinate

106-65-0

esters

+++

< 0.01

DL-1-Phenylethyl alcohol

98-85-1

alcohols

+

0.01

Ethanol

64-17-5

alcohols

++

0.01

Furfural

98-01-1

aldehydes

+

0.02

Isobutyric acid 2-ethyl-3-hydroxyhexyl ester

74367-31-0

esters

+

0.01

Methyl vinyl ketone

78-94-4

ketones

+

< 0.01

Orthoformic acid tri-sec-butyl ester

16754-48-6

esters

+

< 0.01

o-Xylene

95-47-6

hydrocarbons

+

0.05

Pyrrole

109-97-7

pyrroles

++

< 0.01

trans-4-Methyl-2-pentene

674-76-0

hydrocarbons

+

0.01

Decreased compound

CAS No.

Classification

fold

p-value

1,2-Dihydro-2,2,4-trimethylquinoline

147-47-7

quinolines

-

0.01

1-Butanol

71-36-3

alcohols

-

0.05

2,3-Butanediol

19132-06-0

diols

-

< 0.01

2-Ethyl-1-hexanol

104-76-7

alcohols

-

0.06

2-Methyl-2-hepten-6-one

110-93-0

ketones

--

< 0.01

3,5-Lutidine

591-22-0

pyridines

-

< 0.01

Acetonitrile

75-05-8

nitriles

--

< 0.01

Benzophenone

119-61-9

ketones

--

< 0.01

Cyclohexanone

108-94-1

ketones

-

0.01

Dimethyl disulfide

624-92-0

Sulfurs

---

0.09

Isophorone

78-59-1

ketones

-

0.02

Maltol

118-71-8

pyrans

---

< 0.01

Methanethiol

74-93-1

thiols

---

0.1

Tributyl phosphate

126-73-8

esters

--

0.03

C

    

Increased compound

CAS No.

Classification

fold

p-value

1,4-Diacetylbenzene

1009-61-6

ketones

++

< 0.01

1-Hydroxycyclohexanecarboxylic acid

1123-28-0

carboxylic acids

+++

< 0.01

2,2,4-Trimethyl-1,3-pentanediol diisobutyrate

6846-50-0

esters

++

< 0.01

2,4,6-Trimethylpyridine

108-75-8

pyridines

++

0.02

2,6-Di-tert-butylphenol

128-39-2

phenols

+

0.08

2-Butanone

78-93-3

ketones

++

< 0.01

2-Octanone

111-13-7

ketones

+

< 0.01

3-Methyl-3-buten-1-ol

763-32-6

alcohols

+

0.01

3-Octanol

589-98-0

alcohols

+

0.01

4-Cyanocyclohexene

100-45-8

nitriles

+

< 0.01

4-Methylbenzyl alcohol

589-18-4

alcohols

++

< 0.01

Acetophenone

98-86-2

ketones

+

< 0.01

Benzaldehyde

100-52-7

aldehydes

+

0.07

Benzophenone

119-61-9

ketones

+++

< 0.01

Benzyl alcohol

100-51-6

alcohols

++

< 0.01

Bisisobutyric acid

2,4,4-trimethylpentane-1,3-diyl ester

74381-40-1

esters

++

0.02

Carbamic acid, 4-methylphenyl ester

1850-13-1

esters

+++

< 0.01

Cyclohexanone

108-94-1

ketones

+

0.02

Diethyl ether

60-29-7

ethers

++

< 0.01

Dimethyl succinate

106-65-0

esters

+++

0.01

DL-1-Phenylethyl alcohol

98-85-1

alcohols

++

< 0.01

Ethanol

64-17-5

alcohols

++

0.09

Furfural

98-01-1

aldehydes

+

< 0.01

Isobutyric acid 2-ethyl-3-hydroxyhexyl ester

74367-31-0

esters

++

< 0.01

Phenol

108-95-2

phenols

+

0.04

p-Tolualdehyde

104-87-0

aldehydes

+

< 0.01

Pyrrole

109-97-7

pyrroles

+

< 0.01

omega-Caprolactam

105-60-2

amides

++

< 0.01

Decreased compound

CAS No.

Classification

fold

p-value

2,4-Dimethyl-1-heptene

19549-87-2

hydrocarbons

--

0.01

Maltol

118-71-8

pyrans

---

0.01

  1. A: One week incubation; B: Two week incubation; C: Three week incubation
  2. This table shows the VOCs, which were significantly different (p < 0.10) and more than 1.5 fold different to the averaged peak area (n = 3). The fold change indicates the difference in the averaged peak area between the A549 human lung cancer cell line and normal lung cells (+++ > 3 fold increase, ++ > 2 fold increase, + > 1.5 fold increase, --- < 3 fold decrease,
  3. -- < 2 fold decrease, - < 1.5 fold decrease)