Table 2.
Sulfur Volatile | RI a | Id b | Standard | HRF Score c | Qi d | Odor Threshold (μg/L) | Odor Descriptor | Odor Series e | Concentration (µg/L) | |||
---|---|---|---|---|---|---|---|---|---|---|---|---|
ES | BV | VI | CY | |||||||||
Heterocycle | ||||||||||||
Benzothiazole | 1945 | A | Benzothiazole | 99.6281 | 135.0137 | 0.05 [29] | Rubber [29] | 7 | n.d. | n.d. | 0.41 ± 0.03 b | 0.88 ± 0.03 a |
4-Methyl-5-vinylthiazole | 1507 | B | Benzothiazole | 98.0454 | 125.0294 | NF f | Fatty, roasted, nutty [9] | 8,9 | 2.64 ± 0.44 a | n.d. | 3.02 ± 0.02 a | n.d. |
Thiazole | 1246 | B | Benzothiazole | 98.4352 | 84.9981 | 38 [28] | Popcorn, peanut [28] | 8 | n.d. | 1.21 ± 0.03 b | 1.56 ± 0.30 b | 4.47 ± 0.52 a |
MTHT g | 1547 | A | MTHT | 100 | 116.0291 | 0.09 [29] | Natural gas, sulfurous [29] | 7 | 8.55 ± 0.48 c | 14.25 ± 0.11 a | 11.22 ± 0.31 b | 2.96 ± 0.19 d |
2-Methyl-4-propyl-1,3-oxathiane | 1478 | C | Diethyl disulfide | 99.3228 | 145.0683 | 7.1 [30] | Passion fruits [9] | 1 | 22.41 ± 0.97 b | 22.48 ± 0.98 b | 25.64 ± 0.14 a | 2.76 ± 0.25 c |
2-Methyl-1,3-oxathiane | 1130 | C | Diethyl disulfide | 97.0532 | 103.0213 | NF | n.d. | n.d. | 1.10 ± 0.00 a | n.d. | ||
Ester sulfide | ||||||||||||
3MPAEE h | 1553 | A | 3MPAEE | 94.9905 | 74.0185 | 1 [31] | Fruity, cheese like [9] | 1,8 | 10.34 ± 0.27 b | n.d. | 9.88 ± 0.11 b | 11.46 ± 0.35 a |
Ethyl 3-(methylthio)-(E)-2-propenoate | 1721 | B | 3MPAEE | 95.4488 | 99.9978 | NF | Sweet, sour, faintly fruity [9] | 1 | 0.31 ± 0.06 a | 0.37 ± 0.00 a | 0.26 ± 0.02 a | 0.34 ± 0.01 a |
3-(Methylthio)propyl acetate | 1623 | A | 3-(Methylthio)propyl acetate | 95.1033 | 88.0341 | 0.115 [31] | Herbaceous, cabbage [9] | 3 | 88.01 ± 2.71 a | 53.06 ± 0.52 b | 32.74 ± 0.47 c | n.d. |
Alkyl sulfide | ||||||||||||
Methionol | 1707 | A | Methionol | 97.0737 | 106.0447 | 1000 [29] | Cauliflower, potato [29,32] | 3 | 696.57 ± 42.93 a | 317.22 ± 15.29 b | 190.53 ± 0.61 c | 216.59 ± 11.55 c |
Polyfunctional thiol | ||||||||||||
3-Mercaptohexanol | 1848 | A | 3-Mercaptohexanol | 93.3314 | 82.0777 | 0.06 [28] | Passion fruit, mango [29] | 1 | 5.51 ± 0.22 b | 9.79 ± 0.89 a | 8.12 ± 0.72 ab | 10.06 ± 1.23 a |
3-Mercaptohexyl hexanoate | 2015 | B | 3-Mercaptohexyl acetate | 94.5746 | 87.0263 | NF | Passion fruit [9] | 1 | n.d. | n.d. | 127.82 ± 10.88 a | 87.00 ± 3.84 b |
3-Mercaptohexyl acetate | 1723 | A | 3-Mercaptohexyl acetate | 99.7294 | 87.0263 | 0.004 [29] | Passion fruit [28] | 1 | 5.33 ± 0.59 a | n.d. | n.d. | n.d. |
Alkyl disulfide | ||||||||||||
Diisopropyl disulfide | 1254 | B | Diethyl disulfide | 93.0231 | 108.0062 | NF | Oniony, durian-like [9] | 3 | n.d. | 0.42 ± 0.01 b | 0.60 ± 0.05 b | 3.46 ± 0.23 a |
Thioacid | ||||||||||||
Ethanethiolic acid | 1168 | C | S-Ethyl ethanethioate | 94.0675 | 43.0178 | NF | Cooked, roasted, meaty [33] | 9 | n.d. | 115.86 ± 4.78 a | 104.89 ± 3.25 b | n.d. |
Others | ||||||||||||
[2-(Ethylsulfanyl)ethyl]benzene | 2133 | C | Diethyl disulfide | 92.8947 | 75.0262 | NF | n.d. | n.d. | 4.13 ± 0.69 b | 13.10 ± 0.57 a | ||
3-(Methylthio)-2-butanone | 1832 | C | Diethyl disulfide | 94.6535 | 75.0262 | NF | Milky, creamy, potato [33] | n.d. | n.d. | n.d. | 0.41 ± 0.01 a |
a Retention indices on DB-wax column, b Identification of the compounds: ‘A’ means identified by mass spectrum and RI agree with standards, ‘B’ means tentatively identified by mass spectrum, agrees with the mass spectral database and RI agrees with literature, ‘C’ means high-resolution filtering score and mass spectral database. c HRF (high-resolution filtering score); percentage of the spectrum obtained by MS Orbitrap that can be explained by combination of accurate mass, library matching and percentage of explained ions observed. d Quantitative ion. e 1 = fruity, 2 = floral, 3 = herbaceous (or vegetal), 4 = nutty, 5 = caramel, 6 = earthy, 7 = chemical, 8 = fatty, 9 = roasted. f NF: not found. g 2-Methyltetrahydrothiophen-3-one. h 3-(Methylthio)propanoic acid ethyl ester. Data are the mean ± standard deviation of duplicate tests. ‘n.d.’: not detected. Different letters indicate significant differences among the results at a significant level of 0.05. Bold indicates the significant contribution of the compound to aroma (OAV > 1). Odor descriptors and reported odor threshold mentioned in the listed literatures: [9] (Hui et al., 2010); [28] (Landaud et al., 2008); [29] (Waterhouse et al., 2016); [30] (Chen et al., 2018); [31] (v.Gemert et al., 2011–2019); [33] Descriptors were retrieved from http://www.thegoodscentscompany.com (accessed on 13 August 2018).