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Table 11 Compounds detected from the headspace of in vitro cultured cell lines (>80% of the NIST matching percentage)

From: A study on volatile organic compounds emitted by in-vitro lung cancer cultured cells using gas sensor array and SPME-GCMS

Retention Time (min)

Library/ID

Summary of All Substances Identified by Spectral Match

CAS number

A549

Calu-3

MCF7

WI38VA13

DMEM

EMEM

3.33

Amphetamine

-

-

-

+

-

-

300-62-9

3.44

Decane

+

+

+

-

-

-

124-18-5

4.25

Ethylbenzene

+

+

+

+

+

-

100-41-4

4.95

O-Xylene

-

-

-

+

-

-

95-47-6

5.30

Propylbenzene

+

+

+

+

+

-

103-65-1

5.51

1-Ethyl-2-methylbenzene

+

+

+

+

-

-

611-14-3

5.74

Styrene

+

++

++

++

++

-

100-42-5

6.18

Dodecane

-

+

+

-

-

-

112-40-3

6.28

1,2,4-Trimethyl-benzene

-

-

-

+

-

-

95-63-6

6.57

Trimethyl[4(trimethylsilyl)butoxy]silane

+

+

+

+

+

-

7140-91-2

7.52

Cyclohexanol

+

+

+

+

+

-

108-93-097

7.64

Decanal

+

-

-

-

-

-

112-31-2

7.68

Nonanal

+

-

-

+

-

-

124-19-6

7.69

3,4-Dimethylheptane

-

-

+

-

-

-

922-28-1

8.02

2,4-DimethylUndecane

-

-

-

+

-

-

17312-80-0

8.33

1,3-Bis(1,1-dimethylethyl)benzene

+

+

+

+

+

-

1014-60-4

8.67

Tetradecane

+

-

+

+

+

-

629-59-4

8.74

2-Ethyldodecanol

-

+

-

-

-

-

19780-33-7

8.75

2-Ethylhexanol

-

+

-

+

-

-

104-76-7

9.00

Benzaldehyde

+

-

+

+

+

-

100-52-7

10.25

Dimethylsilanediol

+

+

+

+

+

+

1066-42-8

10.55

Acetophenone

+

-

+

+

+

-

98-86-2

10.60

Ethanedioic acid, bis(trimethylsilyl)ester

+

+

+

+

+

-

18294-04-7

10.88

2-Ethyl-1,3-dimethyl-benzene

-

+

+

-

-

-

2870-04-4

10.92

1-Methyl-2-Pyrrolidinone

+

-

+

-

+

-

872-50-4

11.30

Heptadecane

-

-

-

+

-

-

629-78-7

11.22

Heneicosane

+

+

-

-

-

-

629-94-7

11.30

Hexadecane

-

-

+

-

-

-

544-76-3

11.37

2-(Aminooxy)-Propanoic acid

-

-

-

-

-

+

2786-22-3

11.48

3-Methyl-3-Hexanol

-

-

-

-

-

+

597-96-6

11.55

Methoxyphenyl_Oxime

+

+

+

+

+

+

1000222-86-6

12.96

2-Phenyl-2-Butanone

-

-

+

-

-

-

2550-26-7-97

  1. ++: Percentage of peak area more than 50%; +: percentage of peak area less than 50%; - : not detected (peak area < 1%)