. 2020 Oct 20;9(10):1498. doi: 10.3390/foods9101498

Table 1.

54 volatile compounds selected as important contributors to bread aroma, including their m/z and formula. Thirty-nine volatile compounds were confirmed by means of fast GC-proton transfer reaction-time of flight-mass spectrometry (PTR-ToF-MS) using pure standards, while the other 15 were tentatively identified based on their m/z, possible formula, and literature about bread aroma.

Volatile Compound	m/z	Formula	Identification
3-Methyl-1-butanol	71.0856	C₅H₁₁⁺	Standard (1)
2-Methyl-1-butanol			Standard (2)
1-Pentanol			Standard (3)
Hexanal	83.0863	C₆H₁₁⁺	Standard (4)
1-Hexanol	85.1010	C₆H₁₃⁺	Standard (5)
Furfural	97.0288	C₅H₅O₂⁺	Standard (6)
5-Methylfurfural	111.0451	C₆H₇O₂⁺	Standard (7)
Pyrazine	81.0369	C₄H₅N₂⁺	Standard (8)
2,3-Butanedione	87.0443	C₄H₇O₂⁺	Standard (9)
Phenylacetaldehyde	121.0680	C₈H₉O⁺	Standard (10)
2-Ethyl-3-methylpyrazine	123.0826	C₇H₁₁N₂⁺	Standard (11)
2-Acetylpyrazine	123.0826	C₇H₁₁N₂⁺	Standard (12)
2-Ethylpyrazine	109.0711	C₆H₉N₂⁺	Standard (13)
2,3-Dimethylpyrazine			Standard (14)
2,5-Dimethylpyrazine			Standard (15)
2,6-Dimethylpyrazine			Standard (16)
Benzyl alcohol		C₇H₉O⁺	Standard (17)
Butanoic acid	89.0599	C₄H₉O₂⁺	Standard (18)
Heptanal	97.1028	C₇H₁₃⁺	Standard (19)
1-Octen-3-ol	111.1181	C₈H₁₅⁺	Standard (20)
2-Acetyl-1-pyrroline	112.0759	C₆H₁₀NO⁺	Standard (21)
2,3-Diethylpyrazine	137.0983	C₈H₁₃N₂⁺	Standard (22)
Nonanal	125.1339	C₉H₁₇⁺	Standard (23)
2,4-(E,E)-Decadienal	135.1221	C₁₀H₁₅⁺	Standard (24)
Ethyl octanoate	173.1577	C₁₀H₂₁O₂⁺	Standard (25)
Ethyl hexanoate	145.1239	C₈H₁₇O₂⁺	Standard (26)
Ethyl hexanoate	145.1239	C₈H₁₇O₂⁺	Standard (27)
1-Methylpyrrol	82.0700	C₅H₈N⁺	Standard (28)
Limonene	137.1354	C₁₀H₁₇⁺	Standard (29)
3-Penten-2-ol	69.0702	C₅H₉⁺	Standard (30)
Benzaldehyde	107.0518	C₇H₇O⁺	Standard (31)
Hexyl acetate	145.1239	C₈H₁₇O₂⁺	Standard (32)
Acetic acid	61.0280	C₂H₅O₂⁺	Standard (33)
Furfuryl alcohol	81.0369	C₅H₅O⁺	Standard (34)
Acetoin	89.0599	C₄H₉O₂⁺	Standard (35)
3-Methylbutanoic acid	103.0704	C₅H₁₁O₂⁺	Standard (36)
2-Methylbutanoic acid	103.0704	C₅H₁₁O₂⁺	Standard (37)
Phenylethyl alcohol	105.0721	C₈H₉⁺	Standard (38)
Hexanoic acid	117.0921	C₆H₁₃O₂⁺	Standard (39)
Furan	69.0334	C₄H₄OH⁺	Tentative
3-Methylbutanal	69.0702	C₅H₉⁺	Tentative
2-Methylbutanal	69.0702	C₅H₉⁺	Tentative
2-Methylfuran	83.0498	C₅H₇O⁺	Tentative
5-Methyl-2(5H)-furanone	99.0446	C₅H₇O₂⁺	Tentative
2-Methyl-6-propyl-pyrazine	137.0983	C₈H₁₃N₂⁺	Tentative
Acetaldehyde	45.0325	C₂H₅O⁺	Tentative
Ethanol	48.0323	C₂H₇O⁺	Tentative
2,5-Diethylpyrazine	137.0983	C₈H₁₃N₂⁺	Tentative
2,6-Diethylpyrazine
3-Ethyl-2,5-dimethylpyrazine
2-Ethyl-3,5-dimethylpyrazine
5-Ethyl-2,3-dimethylpyrazine
3-Ethyl-2,6-dimethylpyrazine
2-Ethyl-3,6-dimethylpyrazine