. 2017 Apr 1;54(6):1368–1376. doi: 10.1007/s13197-017-2541-8

Table 3.

Peaks from the PTR–ToF–MS related to the sensory characteristics perceived by the Panel test with Pearson’s correlation coefficients statistically significant at p < 0.01

Protonated measured m/z	Protonated chemical formula	Protonated theoretical m/z	Tentative identification	References	Flavor					Off-flavor
Protonated measured m/z	Protonated chemical formula	Protonated theoretical m/z	Tentative identification	References	Apple	Ripely fruity	Green tomato	Grass	Green	Fusty	Muddy sediment	Winey/vinegary
47.049	C₂H₇O⁺	47.0491	Ethanol	Mancuso et al. (2015), Morales et al. (2000)	n.s.	n.s.	−0.64	−0.69	−0.77	0.64	0.65	0.67
61.028	C₂H₅O₂ ⁺	61.0284	Acetic acid/acetates	Taiti et al. (2015a), Morales et al. (2000)	n.s.	n.s.	−0.67	−0.70	−0.66	n.s.	n.s.	0.70
75.044	C₃H₇O₂ ⁺	75.0441	Propanoic acid	Aprea et al. (2015), Angerosa et al. (1996b)	n.s.	n.s.	n.s.	−0.73	−0.71	0.61	0.61	0.64
81.070	C₆H₉ ⁺	81.0699	Fragment/terpenes fragment	Sánchez-Ortiz et al. (2012), Angerosa et al. (2004)	0.71	0.67	0.60	0.70	0.58	n.s.	n.s.	n.s.
83.086	C₆H₁₁ ⁺	83.0855	Hexanal, hexenols	Park et al. (2013)	0.65	0.68	0.58	0.58	n.s.	−0.68	−0.67	−0.65
89.059	C₄H₉O₂ ⁺	89.0597	Butanoic acid	Aprea et al. (2015), Morales et al. (2013)	n.s.	n.s.	−0.67	−0.67	−0.70	−0.66	0.60	0.66
99.080	C₆H₁₁O⁺	99.0804	cis-3-hexenal	Taiti et al. (2014), Angerosa et al. (2004)	0.60	0.60	n.s.	n.s.	n.s.	n.s.	n.s.	n.s.
127.110	C₈H₁₅O⁺	127.1077	Octanal	Masi et al. (2015a, b), Morales et al. (2013)	n.s.	n.s.	n.s.	n.s.	n.s.	0.62	0.61	n.s.

The positive correlation between VOCs and flavor or off-flavor are highlighted in bold