. 2021 Jan 26;11(2):71. doi: 10.3390/metabo11020071

Table 2.

Key-VOCs of northern Peruvian chocolate.

Retention Time (min)	Fragments (m/z)	Molecular Formula	Volatile Organic Compound	Odor Description
16.611	54, 136	C₈H₁₂N₂	Tetramethylpyrazine ^a	Roasted, green, coffee, cocoa
17.346	57, 75	C₇H₁₄O₃	Isobutyl lactate	Buttery, caramelly
18.915	52, 134	C₆H₆N₄	8-Methyl-1,2,4-triazolo[4,3-b] pyridazine	No flavor information
19.309	55, 88	C₈H₁₆O₃	2-Butoxyethyl acetate	Sweet, fruity
20.591	71, 116	C₆H₁₂O₂	an isomer of Ethyl isobutyrate	Ethereal sweet, fruity
20.824	71, 116	C₆H₁₂O₂	an isomer of Ethyl isobutyrate	Ethereal sweet, fruity
22.080	59, 71	C₄H₈O₃	3-Hydroxybutanoic acid	No flavor information
22.516	68, 94	C₁₀H₁₈O₂	Epoxylinalol	Sweet, honey
23.267	88, 89	C₈H₁₄O₄	3,4-Dihydroxy-3,4-dimethyl-2,5-hexanedione ^a	No flavor information
23.369	79, 107	C₈H₁₀O	α-Phenethyl alcohol	Sweet, floral
24.578	91, 104	C₁₀H₁₂O₂	Phenethyl acetate ^a	Sweet, floral

^a Compounds identity was confirmed by GC-MS/MS.