Table 2.

Table of putatively identified macaque breath molecules that discriminate pre- and postinfection macaque breath samples

Putative Peak Identification	Formula	Chemical Abstracts Service (CAS) number	Reported in Healthy Human Breath	Reported as M. tuberculosis Breath Biomarker
Higher expressed in postinfection samples
(Z)-3-Tetradecene	C14H28	41,446–67–7
1,1′-Bicyclohexyl*	C12H22	92–51–3
2,2-Dimethylheptane*	C9H20	1,071–26–7	(9)
2,6,11-trimethyldodecane	C15H32	31,295–56–4
2-Ethylhexyl isohexyl ester sulfurous acid	C14H30O3	959,067–41–5
3-Methyl-dodecane	C13H28	17,312–57–1
Dodecane	C12H26	112–40–3	(9)	(24)
Hexadecane	C16H34	544–76–3	(9)
Hexylcyclohexane	C12H24	4,292–75–5		(37)
Octylcyclohexane	C14H28	1,795–15–9
Tridecane*	C13H28	629–50–5	(9)	(36, 37, 40)
Higher expressed in preinfection samples
2-Heptanone*	C7H14O	110–43–0	(9)
Acetic acid, phenyl ester	C8H8O2	122–79–2
Allyl heptanoate*	C10H18O2	142–19–8
4-Methylene-1-(1-methylethyl)- bicyclo[3.1.0]hexane*	C10H16	3,387–41–5
2-Methylbutyl ester butanoic acid*	C9H18O2	51,115–64–1
n-Amyl isovalerate*	C10H20O2	25,415–62–7
o-Cymene*	C10H14	527–84–4	(9)
Trans-á-Ocimene*	C10H16	502–99–8

^*Indicates features statistically different between preinfection and postinfection samples (P < 0.05).