. 2019 Jul 6;24(13):2484. doi: 10.3390/molecules24132484

Table 1.

Concentration of aroma compounds identified in whole wheat and intermediate wheatgrass bread crust.

Retention Index		MS-SIM (m/z)	Compound Name	Odor Description ¹	Average ± SD ² (µg/kg) *
DB-Wax	HP-5	MS-SIM (m/z)	Compound Name	Odor Description ¹	Whole Wheat	Intermediate Wheatgrass
<1000	<600	72	2-methylpropanal	malty, grain	3456 ± 515	2786 ± 88
<1000	<600	43	Diacetyl	butter	1876 ± 81	1298 ± 174 *
<1000	655	86	3-methylbutanal	pungent, grain	1839 ± 171	1475 ± 572
1216	730	70	3-methylbutanol	musty, grain, fruity	10,103 ± 887	5319 ± 1209 *
1360	870	56	1-hexanol	bready, fruity	660 ± 56	691 ± 134
1451	907	104	Methional	potato, earthy, roasted	522 ± 29	110 ± 13 *
1508	913	95	2-acetylfuran	yeasty, fermented	1355 ± 46	81.9 ± 5.7 *
1333	924	112	2-acetyl-1-pyrroline	crust, bread, corn chip	9.2 ± 0.6	4.0 ± 0.2 *
1308	980	55	1-octen-3-one	green, metallic, sharp	9.8 ± 1.5	4.2 ± 0. 5 *
1462	986	57	1-octen-3-ol	green, herbs	90.2 ± 8.4	116± 24
1693	1020	121	salicylaldehyde	pungent, grain, cooked, medicinal	1.2 ± 0.1	1.1 ± 0.3
1625	1028	43, 122	2-acetylpyrazine	baked, bread	593 ± 40	351± 134
1457	1090	135	2-ethyl-3,6-dimethylpyrazine	roasted, chocolate, earthy	16.4 ± 1.6	0.71 ± 0.04 *
1465	1094	135	2-ethyl-3,5-dimethylpyrazine	sweet, burnt, roasted	11.5 ± 0.7	0.66 ± 0.21 *
1855	1096	109	Guaiacol	sweet, cream	13.1 ± 2.8	11.9 ± 0.7
1756	1114	87	2-acetyl-2-thiazoline	crust, corn chip	9.8 ± 0.7	15.5 ± 0.86 *
1934	1132	91	2-phenylethanol	floral, sweet, yeasty	4225 ± 514	2551 ± 666 *
1499	1155	150	2,3-diethyl-5-methyl-pyrazine	earthy, roasted, vegetal	3.3 ± 0.3	1.1 ± 0.1 *
1584	1157	41, 80	(E,Z)-2,6-nonadienal	green, fresh	13.6 ± 2.1	7.1 ± 1.8 *
1538	1167	55	(E)-2-nonenal	green, oil, beany	2714 ± 280	1478 ± 165 *
1442	1204	88	ethyl octanoate	green, wine	169 ± 28	50.3 ± 4.1 *
2224	1281	150	p-vinylguaiacol	cooked, sweet, pasta	4611 ± 693	911 ± 246 *
1542	1295	88	ethyl nonanoate	tropical, fruity	32.4 ± 5.6	10.8 ± 2.7 *
1806	1316	81	(E,E)-2,4-decadienal	cooked oil	856 ± 151	194 ± 24 *

¹ Odor description for GC/MS/O analysis of bread solvent extract. ² Standard deviation of three biological replicates. * Significantly different according to t-test (p-value < 0.05).