TABLE 2.

Volatile organic compound algorithm inputs.

Chemical name	m/z	RT1 (s)	RT2 (s)	Weight	Sign	Cutoff
Benzene	78	171.30	1.2	1.33	−1	1.10
2,3,4-trimethyl-pentane	71	245.67	1.2	1.45	−1	0.35
1,4- dimethyl-, trans-cyclohexane	97	280.02	1.3	1.26	−1	0.059
2,2,4-trimethyl-hexane	57	285.02	1.2	1.37	−1	0.70
1,7,7-trimethyl-tricyclo[2.2.1.0(2,6)] heptane	93	500.15	1.6	1.28	−1	0.045
4-ethyl-3-octene	69	578.11	1.5	1.27	−1	0.031

Algorithm inputs of the six predictive VOCs included for calculating the breath score.