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. 2022 Jul 15;11(14):2106. doi: 10.3390/foods11142106

Table 2.

Authentic standards, scanned ions, calibration equations, and odor descriptions in the determination of aroma compounds.

Compound Ions (m/z) a Calibration Equation b R2 Odor Description c
Propanal 58.1, 57.1, 44.0, 42.0 y=(0.00002)x+0.1933 0.9905 Pungent
Ethyl acetate 43.1, 61.1, 70.1, 45.1 y=(0.000005)x1.1427 0.9945 Fruit, wine
Octanal 41.1, 43.1, 57.1, 84.1 y=(0.0000007)+0.0121 0.9983 Citrus, fresh
Nonanal 57.1, 41.1, 55.1, 98.1 y=(0.0000002)x0.0088 0.9994 Citrus, fatty
1-octen-3-ol 57.1, 43.1, 72.1, 85.1 y=(0.00000008)x+0.0065 0.9989 Green, mushroom
(E)-2-octenal 70.1, 55.1, 41.1, 83.1 y=(0.0000002)x+0.0393 0.9908 Unpleasant, nut, fatty
Acetic acid 43.1, 45.0, 60.1, 42.1 y=(0.0003)x+163.61 0.9980 Vinegar, sour
Benzaldehyde 105.1, 106.1, 77.1, 55.1 y=(0.00000008)x0.0241 0.9948 Almond, cherry-like
1-nonanol 56.1, 70.1, 41.1, 83.1 y=(0.00000006)x+0.0034 0.9996 Rose, floral
Methyl salicylate 120.1, 92.1, 152.1, 65.1 y=(0.00000001)x+0.0022 0.9906
Guaiacol 109.1, 124.1, 81.1, 53.1 y=(0.0000002)x0.01638 0.9997 Smoky, sweet
Geranylacetone 69.1, 43.1, 151.1, 136.1 y=(0.00000003)x+0.00000005 0.9993 Sweet, rose
Phenylethyl alcohol 91.1, 92.1, 122.1, 65.1 y=(0.0000003)x0.0483 0.9948 Floral, rose, honey
Creosol 138.1, 123.1, 95.1, 67.1 y=(0.0000001)x+0.0049 0.9984 Dusty, woody
4-ethylguaiacol 137.1, 152.1, 122.1, 91.1 y=(0.00000005)x0.0174 0.9989 Smoky
Anisaldehyde 135.1, 136.1, 77.1, 92.1 y=(0.0000002)x+0.035 0.9960 Phenolic
P-cresol 107.1, 108.1, 77.1, 79.1 y=(0.000001)x39.412 0.9997 Phenolic, animal
4-ethyl-phenol 107.1, 122.1, 77.1, 91.1 y=(0.00000007)x+0.008 0.9986 Herbal, phenolic

a Monitored ions used for quantification. b Variables: x is the peak area relative to that of the internal standard, 2-methyl-3-heptanone, and y is the concentration (ng/g) in the sample relative to that of the internal standard, 2-methyl-3-heptanone. c Sniffed odors determined by GC-O analysis.