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. 2018 Sep 7;13(9):e0203717. doi: 10.1371/journal.pone.0203717

Table 2. GS-MS analyses of e-cigarette aerosols.

Group CAS number Name S/N ratio
Control 57-55-6 Propylene Glycol 34.7
54-11-5 Nicotine 53.7
20324-32-7 2-Propanol, 1-(2-methoxy-1-methylethoxy)- 61.9
101-84-8 Diphenyl ether 30.7
487-19-4 Nicotyrine 17.2
Alcohol
13588-28-8 1-Propanol, 2-(2-methoxypropoxy)- 51.8
22104-79-6 2-Nonen-1-ol 7.62
3944-36-3 2-Propanol, 1-(1-methylethoxy)- 4.49
116-09-6 2-Propanone, 1-hydroxy-(Hydroxyacetone) 44.3
Aromatic hydrocarbon
1014-60-4 Benzene, 1,3-bis(1,1-dimethylethyl)- 29.1
Sucralose (C12H19Cl3O8) 57-55-6 Propylene Glycol 34.1
54-11-5 Nicotine 57.4
20324-32-7 2-Propanol, 1-(2-methoxy-1-methylethoxy)- 67
101-84-8 Diphenyl ether 56.9
487-19-4 Nicotyrine  
Alcohol
22104-79-6 *2-Nonen-1-ol 7.18
Carboxylic acid
55536-71-5 *Di-tert-butyl 1,4-Dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate 15.1
Aromatic hydrocarbon
1014-60-4 *Benzene, 1,3-bis(1,1-dimethylethyl)- 28.3
Ethyl Butyrate (C6H12O2) 57-55-6 Propylene glycol 66.7
54-11-5 Nicotine 56.8
20324-32-7 2-Propanol, 1-(2-methoxy-1-methylethoxy)- 38.4
101-84-8 Diphenyl ether 58.1
487-19-4 Nicotyrine 27
Alcohol
108-61-2 *1-Propanol, 2,2'-oxybis- 21.2
104-76-7 *1-Hexanol, 2-ethyl- 9.04
Ester
105-54-4 *Ethyl butyrate 96.1
Aromatic hydrocarbon
  *Benzenemethanol, α,α-dimethyl- 29.6
Aldehyde
124-19-6 *Nonanal (C9H18O) 38.1
Triacetin (C9H14O6) 4254-14-2 Propylene glycol 68.2
54-11-5 Nicotine 67
20324-32-7 2-Propanol, 1-(2-methoxy-1-methylethoxy)- 43.9
101-84-8 Diphenyl ether 55.8
487-19-4 Nicotyrine 23.7
Alcohol
116-09-6 *2-Propanone, 1-hydroxy-(C3H6O2) 38
54305-61-2 *2-Butanol, 3,3'-oxybis- 35.1
Ester
102-62-5 *Glycerol 1,2-diacetate 49.3
Aromatic hydrocarbon
1014-60-4 *Benzene, 1,3-bis(1,1-dimethylethyl)- 15.5
Hexyl Acetate (C8H16O2) 57-55-6 Propylene glycol 34.5
54-11-5 Nicotine 70.2
20324-32-7 2-Propanol, 1-(2-methoxy-1-methylethoxy)- 45.4
101-84-8 Diphenyl ether 64.3
478-19-4 Nicotyrine 23.9
Alcohol
111-27-3 *1-Hexanol 28.3
Ester
142-92-7 *Hexyl acetate 90.1
95-92-1 *Ethanedioic acid, diethyl ester 62.8
Aromatic hydrocarbon
1014-60-4 *Benzene, 1,3-bis(1,1-dimethylethyl)- 35.2
Aldehyde
124-19-6 *Nonanal (C9H18O) 54.7
Carboxylic acid
26164-26-1 *Benzeneacetic acid, α-methoxy-, (S)- (C6H5CH(OCH3)CO2H) 6.13
Urea
598-50-5 *N-Methylurea (CH3NHCONH2) 33.3
Ethyl Maltol (C7H8O3) 57-55-6 Propylene Glycol 32.2
54-11-5 Nicotine 57.9
20324-32-7 2-Propanol, 1-(2-methoxy-1-methylethoxy)- 60.2
101-84-8 Diphenyl ether 32.8
478-19-4 Nicotyrine
Alcohol
13588-28-8 *1-Propanol, 2-(2-methoxypropoxy)- 66.5
54305-61-2 *2-Butanol, 3,3'-oxybis- 55
4940-11-8 *Ethyl maltol 66.2
Aromatic hydrocarbon
1014-60-4 *Benzene, 1,3-bis(1,1-dimethylethyl)- 49.1
108-41-8 *Benzene, 1-chloro-3-methyl- 35.1
95-49-8 *Benzene, 1-chloro-2-methyl- 43.8
Aldehyde
124-19-6 *Nonanal (C9H18O) 24.3
Carbonyl compound
1874-54-0 *Psicofuranine (C11H15N5O5) 29.3
Ether
3386-87-6 *3,3'-(Ethylenedioxy) dipropionitrile (C8H12N2O2) 24.5

* = a unique chemical by-product that is not present in the control aerosol. These chemical by-products are based on detectable peaks and suggested by the NIST Mass Spectral Library.