Journal of Food Biochemistry

Research Article

Characteristic Flavor Substances of Guizhou Black Tea and the Environmental Factors Influencing Their Formation Using Stable Isotopes and Headspace Gas Chromatography-Ion Mobility Spectrometry

Table 2

Sample volatile composition.

Category

Number

Compound

CAS#

Formula

Rt (sec)

Dt (RIPrel)

Odor description

GZZY

GZAS

GZPA

GZDY

Acid

2-Methylpropanoic acid

79-31-2

C₄H₈O₂

88.1

1697.5

1951.345

1.15266

Burnt, butter, cheese, sweat

1.19 ± 0.14^bc

1.32 ± 0.08^b

0.91 ± 0.08^d

0.56 ± 0.04^e

1.73 ± 0.08^a

1.11 ± 0.1^c

Acid

Acetic acid-D

64-19-7

C₂H₄O₂

60.1

1504.7

1284.11

1.15619

Acid, fruit, pungent, sour, vinegar

7.65 ± 0.27^d

11.85 ± 1.01^c

7.55 ± 0.75^d

7.58 ± 0.21^d

15.14 ± 0.49^b

17.32 ± 0.63^a

Acid

Acetic acid-M

64-19-7

C₂H₄O₂

60.1

1505.3

1285.78

1.05804

Acid, fruit, pungent, sour, vinegar

8.33 ± 0.07^d

10.01 ± 0.44^b

8.79 ± 0.31^d

9.51 ± 0.14^c

9.43 ± 0.3^c

12 ± 0.05^a

Acid

Propanoic acid-D

79-09-4

C₃H₆O₂

74.1

1642

1729.802

1.26584

Fat, fruit, pungent, silage, soy

0.47 ± 0.01^b

0.33 ± 0.03^cd

0.52 ± 0.02^b

0.37 ± 0.02^c

0.98 ± 0.03^a

0.29 ± 0.04^d

Acid

Propanoic acid-M

79-09-4

C₃H₆O₂

74.1

1641.6

1728.11

1.11074

Fat, fruit, pungent, silage, soy

2.28 ± 0.06^d

1.46 ± 0.09^e

2.66 ± 0.16^c

2.8 ± 0.19^ab

5.28 ± 0.14^a

2.98 ± 0.28^b

Alcohols

(Z)-3-Hexenol-D

928-96-1

C₆H₁₂O

100.2

1404.8

1033.73

1.51285

Grass, green fruit, green leaf, herb, unripe banana

3.71 ± 0.12^b

2.77 ± 0.01^c

5.08 ± 0.04^a

1.84 ± 0.05^d

1.29 ± 0.02^f

1.56 ± 0.04^e

Alcohols

(Z)-3-Hexenol-M

928-96-1

C₆H₁₂O

100.2

1404.2

1032.52

1.23471

Grass, green fruit, green leaf, herb, unripe banana

2.09 ± 0.11^b

2.04 ± 0.03^b

2.29 ± 0.05^a

1.89 ± 0.01^c

1.64 ± 0.03^d

1.89 ± 0.02^c

Alcohols

1-Butanol-D

71-36-3

C₄H₁₀O

74.1

1166.3

604.308

1.37934

Fruity

1.02 ± 0.02^d

0.47 ± 0.02^f

1.39 ± 0.03^b

1.52 ± 0.01^a

1.09 ± 0.02^c

0.53 ± 0.02^e

Alcohols

1-Butanol-M

71-36-3

C₄H₁₀O

74.1

1166

603.685

1.18554

Fruity

0.77 ± 0.02^e

0.59 ± 0.02^f

0.86 ± 0.01^d

1.14 ± 0.02^a

1.02 ± 0.02^b

0.99 ± 0.02^c

Alcohols

1-Hexanol-D

111-27-3

C₆H₁₄O

102.2

1372

962.71

1.64035

Green, grassy

1.61 ± 0.04^a

0.35 ± 0.1^c

0.56 ± 0.01^b

0.37 ± 0.01^c

0.21 ± 0.01^d

0.17 ± 0.01^d

Alcohols

1-Hexanol-M

111-27-3

C₆H₁₄O

102.2

1372

962.71

1.33404

Green, grassy

2.38 ± 0.06^a

1.34 ± 0.14^d

1.85 ± 0^b

1.6 ± 0.01^c

1.09 ± 0.05^e

1.08 ± 0.02^e

Alcohols

1-Octen-3-ol

3391-86-4

C₈H₁₆O

128.2

1487.7

1237.46

1.1669

Cucumber, earth, fat, floral, mushroom

0.51 ± 0.02^a

0.53 ± 0.02^a

0.39 ± 0.02^b

0.32 ± 0.02^c

0.26 ± 0^d

0.14 ± 0.01^e

Alcohols

1-Pentanol-D

71-41-0

C₅H₁₂O

88.1

1267.6

769.74

1.50845

Balsamic, fruit, green, pungent, yeast

1.85 ± 0.04^c

1.35 ± 0.03^e

2.46 ± 0.03^b

2.59 ± 0.02^a

1.75 ± 0.02^d

0.85 ± 0.09^f

Alcohols

1-Pentanol-M

71-41-0

C₅H₁₂O

88.1

1268.1

770.47

1.25621

Balsamic, fruit, green, pungent, yeast

1.62 ± 0.03^e

1.46 ± 0.01^f

1.82 ± 0.04^c

1.99 ± 0.02^a

1.89 ± 0.04^b

1.68 ± 0.03^d

Alcohols

1-Penten-3-ol-D

616-25-1

C₅H₁₀O

86.1

1179.4

631.085

1.35481

Butter-like, pungent

3.51 ± 0.09^c

3.32 ± 0.05^d

4.07 ± 0.05^a

3.73 ± 0.02^b

3 ± 0.06^e

2.68 ± 0.1^f

Alcohols

1-Penten-3-ol-M

616-25-1

C₅H₁₀O

86.1

1179.9

632.33

0.94636

Butter-like, pungent

1.51 ± 0.04^e

2.06 ± 0.02^c

1.75 ± 0^d

2.18 ± 0.01^b

2.11 ± 0.13^cb

2.71 ± 0.09^a

Alcohols

1-Propanethiol

107-03-9

C₃H₈S

76.2

841.4

251.238

1.36193

Cabbage, onion

0.29 ± 0.01^b

0.22 ± 0.03^c

0.5 ± 0.01^a

0.2 ± 0^c

0.27 ± 0.01^b

0.12 ± 0^d

Alcohols

1-Propanol-D

71-23-8

C₃H₈O

60.1

1056.8

426.27

1.25264

Alcohol, candy, pungent

0.02 ± 0^c

0.03 ± 0^ab

0.03 ± 0^a

0.02 ± 0^c

0.03 ± 0^a

0.03 ± 0^bc

Alcohols

1-Propanol-M

71-23-8

C₃H₈O

60.1

1055.4

424.398

1.11251

Alcohol, candy, pungent

0.3 ± 0^e

0.34 ± 0.01^c

0.32 ± 0.02^d

0.36 ± 0.01^b

0.4 ± 0^a

0.25 ± 0^f

Alcohols

2-Butanol

78-92-2

C₄H₁₀O

74.1

1041.7

407.55

1.14851

0.17 ± 0.01^e

0.2 ± 0.01^d

0.16 ± 0^e

0.23 ± 0.01^c

0.26 ± 0^b

0.27 ± 0.01^a

Alcohols

2-Methyl-1-propanol

78-83-1

C₄H₁₀O

74.1

1113.4

507.056

1.17464

Apple, bitter, cocoa, wine

0.34 ± 0.01^f

0.52 ± 0.03^d

0.38 ± 0.01^e

0.55 ± 0.02^c

0.6 ± 0.01^b

0.67 ± 0.01^e

Alcohols

2-Methylisoborneol

2371-42-8

C₁₁H₂₀O

168.3

1671.8

1845.11

1.27805

0.46 ± 0.06^a

0.51 ± 0.03^a

0.46 ± 0.02^a

0.26 ± 0.04^b

0.17 ± 0.01^c

0.32 ± 0.03^b

Alcohols

2-Propanol

67-63-0

C₃H₈O

60.1

951.4

321.906

1.23079

Floral

0.58 ± 0.02^a

0.21 ± 0.01^e

0.38 ± 0.01^b

0.29 ± 0^c

0.27 ± 0^d

0.18 ± 0^f

Alcohols

3-(Methylthio)-1-propanol

505-10-2

C₄H₁₀OS

106.2

1803.8

2457.37

1.09841

Earth, garlic, potato, soy

0.83 ± 0.01^d

0.94 ± 0.1^cd

0.99 ± 0.06^c

1 ± 0.09^c

1.2 ± 0.02^b

1.37 ± 0.07^a

Alcohols

3-Methyl-1-butanol-D

123-51-3

C₅H₁₂O

88.1

1224.4

703.789

1.48669

Burnt, cocoa-like, winey

0.61 ± 0.02^a

0.47 ± 0.05^b

0.23 ± 0.02^e

0.39 ± 0.01^c

0.35 ± 0.01^d

0.07 ± 0.01^f

Alcohols

3-Methyl-1-butanol-M

123-51-3

C₅H₁₂O

88.1

1224.5

703.94

1.24564

Burnt, cocoa-like, winey

0.43 ± 0.01^e

0.59 ± 0.03^d

0.63 ± 0.01^c

0.83 ± 0.01^a

0.75 ± 0.03^b

0.38 ± 0.01^f

Alcohols

3-Methyl-3-buten-1-ol-D

763-32-6

C₅H₁₀O

86.1

1284.8

797.543

1.43554

0.25 ± 0.01^b

0.11 ± 0^c

0.23 ± 0^b

0.11 ± 0.01^c

1.86 ± 0.11^a

0.29 ± 0.02^b

Alcohols

3-Methyl-3-buten-1-ol-M

763-32-6

C₅H₁₀O

86.1

1284.8

797.543

1.18599

0.19 ± 0.01^b

0.2 ± 0.01^b

0.05 ± 0.01^d

0.23 ± 0.03^a

0.13 ± 0.01^c

Alcohols

4-Methyl-1-pentanol

626-89-1

C₆H₁₄O

102.2

1339.3

896.812

1.63176

1.24 ± 0.01^c

0.62 ± 0.02^d

2.42 ± 0.03^a

1.41 ± 0.03^b

0.47 ± 0.02^f

0.53 ± 0.01^e

Alcohols

cis-2-Penten-1-ol

1576-95-0

C₅H₁₀O

86.1

1339.3

896.77

0.94842

Mushroom-like, green, grassy

2.01 ± 0.02^c

1.32 ± 0.03^d

2.49 ± 0.02^a

2.47 ± 0.04^a

2.05 ± 0.02^c

2.37 ± 0.02^b

Alcohols

Ethanol

64-17-5

C₂H₆O

46.1

951.4

321.906

1.12793

0.83 ± 0.06^a

0.48 ± 0.01^f

0.63 ± 0.01^c

0.77 ± 0.01^b

0.54 ± 0.02^e

0.75 ± 0.01^b

Alcohols

Linalool oxide-D

60047-17-8

C₁₀H₁₈O₂

170.3

1488.8

1240.573

1.82461

Floral

2.68 ± 0.16^b

1.72 ± 0.23^c

3.65 ± 0.04^a

0.7 ± 0.09^d

0.28 ± 0.01^e

0.27 ± 0.03^e

Alcohols

Linalool oxide-M

60047-17-8

C₁₀H₁₈O₂

170.3

1487.7

1237.636

1.27169

Floral

2.08 ± 0.04^b

1.81 ± 0.09^c

2.42 ± 0.07^a

1.32 ± 0.07^d

0.66 ± 0.02^e

0.41 ± 0.03^f

Alcohols

Linalool-D

78-70-6

C₁₀H₁₈O

154.3

1646.1

1745.37

1.69315

Coriander, floral, lavender, lemon, rose

1.69 ± 0.08^a

1.59 ± 0.06^a

1.33 ± 0^b

0.66 ± 0.19^c

0.74 ± 0.04^c

0.84 ± 0.14^c

Alcohols

Linalool-M

78-70-6

C₁₀H₁₈O

154.3

1645.1

1741.53

1.22912

Coriander, floral, lavender, lemon, rose

12.65 ± 0.63^a

13.12 ± 0.71^a

12.23 ± 0.96^a

5.87 ± 0.72^b

2.83 ± 0.54^c

1.77 ± 0.11^c

Aldehydes

(E)-2-Heptenal

18829-55-5

C₇H₁₂O

112.2

1338.6

895.50

1.23452

Green, fatty

0.22 ± 0.04^a

0.11 ± 0.01^d

0.18 ± 0.01^b

0.16 ± 0^cb

0.14 ± 0.02^cd

0.15 ± 0.02^bc

Aldehydes

(E)-2-Hexenal-D

6728-26-3

C₆H₁₀O

98.1

1235.7

720.456

1.51231

7.92 ± 0.17^b

8.82 ± 0.15^a

7.39 ± 0.18^c

5.41 ± 0.03^d

5.1 ± 0.14^e

4.85 ± 0.23^e

Aldehydes

(E)-2-Hexenal-M

6728-26-3

C₆H₁₀O

98.1

1234.5

718.73

1.18153

1.19 ± 0.02^e

1.58 ± 0.03^c

1.53 ± 0.01^d

1.68 ± 0.03^b

1.57 ± 0.02^dc

1.86 ± 0.02^a

Aldehydes

(E)-2-Nonenal

18829-56-6

C₉H₁₆O

140.2

1540.4

1387.41

1.41852

Paper

0.14 ± 0.01^dc

0.17 ± 0.02^b

0.14 ± 0.02^d

0.16 ± 0.01^dcb

0.21 ± 0^a

0.16 ± 0.01^cb

Aldehydes

(E)-2-Octenal

2548-87-0

C₈H₁₄O

126.2

1440.2

1116.217

1.33973

Dandelion, fat, fruit, grass, green, spice

0.38 ± 0^b

0.41 ± 0.01^b

0.47 ± 0.03^a

0.3 ± 0.02^c

0.15 ± 0.01^d

0.08 ± 0.01^e

Aldehydes

(E)-2-Pentenal

1576-87-0

C₅H₈O

84.1

1130.3

536.192

1.11327

Grassy, green

0.09 ± 0^e

0.13 ± 0.01^d

0.14 ± 0^c

0.21 ± 0.01^a

0.16 ± 0.01^b

0.14 ± 0^c

Aldehydes

(E,E)-2,4-Hexadienal

142-83-6

C₆H₈O

96.1

1414.8

1056.549

1.12376

Green

0.22 ± 0.01^b

0.37 ± 0.03^a

0.24 ± 0.01^b

0.21 ± 0.01^b

0.22 ± 0.01^b

0.14 ± 0.01^c

Aldehydes

2-Hexenal

505-57-7

C₆H₁₀O

98.1

1274.1

780.10

1.17889

0.16 ± 0^b

0.1 ± 0.01^c

0.21 ± 0^a

0.04 ± 0^e

0.05 ± 0^e

0.07 ± 0.01^d

Aldehydes

2-Methyl-2-pentenal-D

623-36-9

C₆H₁₀O

98.1

1170.2

612.292

1.49183

Fruit

1.52 ± 0.13^a

0.32 ± 0.02^b

1.59 ± 0.05^a

0.26 ± 0.01^b

0.26 ± 0.02^b

0.1 ± 0.02^c

Aldehydes

2-Methyl-2-pentenal-M

623-36-9

C₆H₁₀O

98.1

1170.6

613.026

1.15978

Fruit

0.24 ± 0.01^b

0.09 ± 0.01^f

0.28 ± 0^a

0.15 ± 0^e

0.16 ± 0.01^d

0.17 ± 0.01^c

Aldehydes

2-Methylpropanal

78-84-2

C₄H₈O

72.1

833.1

246.558

1.2835

Burnt, caramel, cocoa, green, malt

0.56 ± 0.01^c

0.75 ± 0.01^b

0.48 ± 0.01^d

0.58 ± 0.02^c

0.76 ± 0^b

0.79 ± 0^a

Aldehydes

3-Methyl-2-butenal-D

107-86-8

C₅H₈O

84.1

1217.3

693.527

1.36324

Burnt, cocoa-like

0.23 ± 0.02^a

0.14 ± 0.01^b

0.21 ± 0.01^a

0.22 ± 0^a

0.06 ± 0.01^c

Aldehydes

3-Methyl-2-butenal-M

107-86-8

C₅H₈O

84.1

1217.8

694.266

1.09612

Burnt, cocoa-like

0.19 ± 0^e

0.11 ± 0^f

0.28 ± 0.01^c

0.43 ± 0.01^a

0.4 ± 0.01^b

0.23 ± 0.01^d

Aldehydes

3-Methylbutanal

590-86-3

C₅H₁₀O

86.1

931.6

307.866

1.40821

1.53 ± 0.02^b

1.62 ± 0.09^b

1.34 ± 0.17^f

1.37 ± 0.04^f

1.45 ± 0.04^ef

1.79 ± 0.01^a

Aldehydes

Acetaldehyde

75-07-0

C₂H₄O

44.1

767.8

212.862

0.98394

Floral, green apple

1.02 ± 0.02^c

1.03 ± 0.05^c

1.08 ± 0.09^c

1.06 ± 0.02^c

1.16 ± 0.02^b

1.31 ± 0.01^a

Aldehydes

Acrolein

107-02-8

C₃H₄O

56.1

886.9

278.382

0.98137

0.38 ± 0.01^d

0.28 ± 0.01^e

0.63 ± 0.01^a

0.47 ± 0^c

0.53 ± 0.02^b

0.46 ± 0^c

Aldehydes

Benzaldehyde-D

100-52-7

C₇H₆O

106.1

1552.6

1424.845

1.47264

Bitter almond-like, marzipan-like

0.33 ± 0.03^d

0.75 ± 0.04^a

0.23 ± 0.02^e

0.58 ± 0.02^b

0.46 ± 0.02^c

0.12 ± 0.01^f

Aldehydes

Benzaldehyde-M

100-52-7

C₇H₆O

106.1

1552.9

1425.73

1.15798

Bitter almond-like, marzipan-like

2.32 ± 0.09^c

3.44 ± 0.1^a

1.92 ± 0.1^d

3.29 ± 0.04^b

2.37 ± 0.02^c

1.38 ± 0.05^e

Aldehydes

Butanal

123-72-8

C₄H₈O

72.1

896.5

284.466

1.28093

Malty, sweaty

1.21 ± 0^d

1.5 ± 0.08^b

1.62 ± 0.02^a

1.36 ± 0.01^c

1.38 ± 0.02^c

0.69 ± 0.01^e

Aldehydes

cis-4-Heptenal

6728-31-0

C₇H₁₂O

112.2

1257.5

753.80

1.15253

Dairy

0.24 ± 0.02^c

0.41 ± 0.03^a

0.28 ± 0.01^b

0.29 ± 0.01^b

0.09 ± 0^d

0.1 ± 0.01^d

Aldehydes

Diethyl acetal

105-57-7

C₆H₁₄O₂

118.2

911.6

294.294

1.03922

Creamy, fruit, pleasant, tropical fruit

1.86 ± 0.05^b

1.66 ± 0.05^c

2.44 ± 0.05^a

1.57 ± 0.07^e

1.7 ± 0.02^c

1.19 ± 0.03^f

Aldehydes

Heptanal-D

111-71-7

C₇H₁₄O

114.2

1204.1

674.758

1.69562

Citrus-like, fatty

0.7 ± 0.02^d

1.42 ± 0.08^b

0.74 ± 0.02^d

1.54 ± 0.03^a

0.16 ± 0.01^e

1.16 ± 0.01^c

Aldehydes

Heptanal-M

111-71-7

C₇H₁₄O

114.2

1204.9

675.988

1.33193

Citrus-like, fatty

0.32 ± 0.02^c

0.61 ± 0.01^b

0.32 ± 0^c

0.7 ± 0^a

0.24 ± 0.01^d

0.69 ± 0.01^a

Aldehydes

Hexanal-D

66-25-1

C₆H₁₂O

100.2

1102.8

489.574

1.56546

Apple, fat, fresh, green, oil

4.34 ± 0.05^b

3.96 ± 0.08^c

4.29 ± 0.19^b

4.77 ± 0.01^a

4.8 ± 0.11^a

3.21 ± 0.23^d

Aldehydes

Hexanal-M

66-25-1

C₆H₁₂O

100.2

1102

488.157

1.26797

Apple, fat, fresh, green, oil

1.05 ± 0.05^f

1.54 ± 0.04^c

1.16 ± 0.02^e

1.43 ± 0^d

1.69 ± 0.02^b

2.27 ± 0.04^a

Aldehydes

Nonanal

124-19-6

C₉H₁₈O

142.2

1403.5

1030.971

1.47774

Citrus-like, soapy

0.46 ± 0.01^c

0.52 ± 0.01^ab

0.55 ± 0.01^a

0.5 ± 0.02^b

0.38 ± 0.01^d

0.54 ± 0.03^a

Aldehydes

Octanal

124-13-0

C₈H₁₆O

128.2

1297.1

818.26

1.40049

Citrus-like, soapy

0.09 ± 0^d

0.12 ± 0.01^d

0.14 ± 0.01^d

0.64 ± 0.01^a

0.27 ± 0.04^c

0.34 ± 0.05^b

Aldehydes

Pentanal

110-62-3

C₅H₁₀O

86.1

1006.6

367.302

1.43007

Almond-like, malty

1.41 ± 0.04^f

2.46 ± 0.05^c

1.65 ± 0.02^d

2.53 ± 0.03^b

1.55 ± 0.02^e

2.73 ± 0.02^a

Aldehydes

Phenylacetaldehyde

122-78-1

C₈H₈O

120.2

1766.9

2268.35

1.25576

Honey-like, beeswax-like

4.34 ± 0.18^d

7.97 ± 0.14^a

4.47 ± 0.28^d

5.14 ± 0.1^c

5.77 ± 0.22^b

3.73 ± 0.37^e

Aldehydes

Propanal

123-38-6

C₃H₆O

58.1

822

240.474

1.14208

Fruity, malty

3.8 ± 0.04^b

3.48 ± 0.11^d

3.79 ± 0.07^b

3.93 ± 0.04^a

3.61 ± 0.06^c

3.74 ± 0.06^b

Esters

(Z)-3-Hexenyl propionate

33467-74-2

C₉H₁₆O₂

156.2

1387.9

996.517

1.36251

Fruit

0.19 ± 0.01^b

0.08 ± 0^c

0.15 ± 0.02^b

0.09 ± 0.01^c

0.28 ± 0.04^a

0.08 ± 0.03^c

Esters

Butyl acetate-D

123-86-4

C₆H₁₂O₂

116.2

1090.7

471.238

1.625

Apple, banana

0.02 ± 0^a

0.01 ± 0^ab

0.01 ± 0^c

0.01 ± 0^bc

0.01 ± 0^ab

Esters

Butyl acetate-M

123-86-4

C₆H₁₂O₂

116.2

1089.2

469.258

1.24931

Apple, banana

0.13 ± 0.01^a

0.12 ± 0^b

0.08 ± 0^c

0.07 ± 0^d

0.04 ± 0^f

0.06 ± 0^e

Esters

Ethyl acetate

141-78-6

C₄H₈O₂

88.1

902.3

288.21

1.33878

Aromatic, brandy, contact glue, grape

0.93 ± 0.03^b

0.74 ± 0.03^c

0.33 ± 0.03^d

0.9 ± 0.02^b

4.77 ± 0.11^a

Esters

Ethyl butanoate

105-54-4

C₆H₁₂O₂

116.2

1055.4

424.398

1.2025

Apple, butter, cheese, pineapple, strawberry

0.5 ± 0.04^b

0.32 ± 0.02^c

0.68 ± 0.02^a

0.48 ± 0.01^b

0.31 ± 0.02^c

0.11 ± 0.01^d

Esters

Ethyl crotonate

623-70-1

C₆H₁₀O₂

114.1

1147.9

568.477

1.56079

Tropical fruit

0.06 ± 0^b

0.03 ± 0^e

0.09 ± 0^a

0.05 ± 0^c

0.04 ± 0^d

0.02 ± 0^f

Esters

Ethyl isobutyrate

97-62-1

C₆H₁₂O₂

116.2

967.3

333.609

1.18242

0.19 ± 0.01^d

0.21 ± 0.01^c

0.21 ± 0^c

0.62 ± 0.01^a

0.32 ± 0.01^b

0.13 ± 0.01^e

Esters

Ethyl pentanoate-D

539-82-2

C₇H₁₄O₂

130.2

1140.8

555.248

1.65995

Apple, dry fish, herb, nut, Yeast

0.17 ± 0.02^c

0.07 ± 0.01^d

1 ± 0.06^a

0.28 ± 0.01^b

0.22 ± 0^c

0.04 ± 0^d

Esters

Ethyl pentanoate-M

539-82-2

C₇H₁₄O₂

130.2

1140.8

555.248

1.28197

Apple, dry fish, herb, nut, Yeast

0.32 ± 0.02^d

0.11 ± 0.01^f

0.72 ± 0^a

0.63 ± 0.01^b

0.44 ± 0.01^c

0.23 ± 0^e

Esters

gamma-Butyrolactone

96-48-0

C₄H₆O₂

86.1

1714.7

2025.33

1.08916

Caramel, cheese, roasted nut

2.28 ± 0.13^c

1.83 ± 0.07^d

1.35 ± 0.07^e

0.75 ± 0.04^f

3.21 ± 0.15^a

2.9 ± 0.09^d

Esters

Hexyl propionate

2445-76-3

C₉H₁₈O₂

158.2

1339.9

898.04

1.44599

Fruit

0.62 ± 0.03^b

0.25 ± 0.01^d

0.79 ± 0.01^a

0.48 ± 0^c

0.25 ± 0^d

0.23 ± 0.01^d

Esters

Isoamyl acetate

123-92-2

C₇H₁₄O₂

130.2

1137.8

549.718

1.73675

Apple, banana, glue, pear

0.05 ± 0^b

0.07 ± 0.01^a

0.04 ± 0^c

0.03 ± 0^d

0.02 ± 0^e

0.03 ± 0^cd

Esters

Linalyl acetate

115-95-7

C₁₂H₂₀O₂

196.3

1567.2

1470.72

1.23114

Fruit

0.93 ± 0.04^b

0.72 ± 0.06^c

1.17 ± 0.1^a

0.67 ± 0.04^c

0.46 ± 0.03^d

0.3 ± 0.04^e

Esters

Methyl 3-methylbutanoate

556-24-1

C₆H₁₂O₂

116.2

1027.5

390.702

1.52778

Apple, fruit, pineapple

0.2 ± 0.01^d

0.3 ± 0.02^c

0.11 ± 0.01^e

0.05 ± 0^f

0.74 ± 0.02^a

0.52 ± 0.02^b

Esters

Methyl acetate

79-20-9

C₃H₆O₂

74.1

860.2

262.121

1.20045

Ester, green

0.69 ± 0.02^b

0.69 ± 0.01^b

0.65 ± 0.02^c

0.63 ± 0.01^cd

1.09 ± 0.01^a

0.62 ± 0.01^d

Esters

Methyl hexanoate-D

106-70-7

C₇H₁₄O₂

130.2

1190.4

654.748

1.68967

Ester, fresh, fruit, pineapple

0.05 ± 0^a

0.04 ± 0^b

0.03 ± 0^c

0.02 ± 0^d

0.01 ± 0^e

0.02 ± 0^d

Esters

Methyl hexanoate-M

106-70-7

C₇H₁₄O₂

130.2

1190.4

654.748

1.26282

Ester, fresh, fruit, pineapple

0.12 ± 0.01^b

0.14 ± 0^a

0.08 ± 0^c

0.12 ± 0^b

0.05 ± 0^d

0.12 ± 0^b

Esters

Methyl salicylate

119-36-8

C₈H₈O₃

152.1

1820.7

2549.173

1.17556

Almond, caramel, peppermint, sharp

0.86 ± 0.08^bc

0.67 ± 0.01^d

0.92 ± 0.03^b

0.72 ± 0.07^cd

1.14 ± 0.13^a

0.85 ± 0.06^bc

Heterocyclic

2,3-Diethyl-6-methylpyrazine

18138-04-0

C₉H₁₄N₂

150.2

1455.8

1154.776

1.26764

Earth, meat, potato, roast

2.11 ± 0.03^b

1.7 ± 0.09^c

2.33 ± 0.06^a

1.67 ± 0.06^c

0.66 ± 0.04^d

0.27 ± 0.04^e

Heterocyclic

2,3-Dimethylpyrazine

5910-89-4

C₆H₈N₂

108.1

1354

925.93

1.10702

Caramel, cocoa, hazelnut, peanut butter, roasted

0.4 ± 0.01^c

0.41 ± 0.02^c

0.46 ± 0.03^c

0.42 ± 0.01^c

1.25 ± 0.02^a

0.62 ± 0.09^b

Heterocyclic

2,5-Dimethylfuran

625-86-5

C₆H₈O

96.1

939

313.014

1.33493

Savory

0.95 ± 0.03^b

1.1 ± 0.05^a

0.97 ± 0.01^b

0.93 ± 0.02^bc

0.88 ± 0^c

0.76 ± 0.06^d

Heterocyclic

2,5-Dimethylpyrazine

123-32-0

C₆H₈N₂

108.1

1317

854.52

1.10803

Earthy, roasty, nutty

0.57 ± 0.09^a

0.2 ± 0.07^d

0.35 ± 0.02^c

0.25 ± 0.01^d

0.51 ± 0.04^ba

0.47 ± 0.03^b

Heterocyclic

2-Acetyl-1-pyrroline

85213-22-5

C₆H₉NO

111.1

1329.8

878.509

1.11716

Savory

0.13 ± 0.01^b

0.08 ± 0^d

0.1 ± 0^c

0.05 ± 0.01^e

0.17 ± 0.01^a

0.13 ± 0.01^b

Heterocyclic

2-Acetylfuran

1192-62-7

C₆H₆O₂

110.1

1544.7

1400.553

1.11988

Balsamic, cocoa, coffee

0.17 ± 0.01^c

0.21 ± 0.01^b

0.18 ± 0.02^c

0.7 ± 0.01^a

0.19 ± 0.02^bc

Heterocyclic

2-Butylfuran

4466-24-4

C₈H₁₂O

124.2

1147.6

568.005

1.18981

Wet hay

0.4 ± 0.01^c

0.18 ± 0.01^f

0.44 ± 0.01^b

0.51 ± 0.01^a

0.36 ± 0.01^d

0.28 ± 0.01^e

Heterocyclic

2-Ethylfuran

3208-16-0

C₆H₈O

96.1

974.7

339.222

1.04565

Butter, caramel

2.69 ± 0.09^b

2.46 ± 0.22^c

3.23 ± 0.07^a

1.44 ± 0.03^d

0.73 ± 0.04^f

0.99 ± 0.06^e

Heterocyclic

2-Methylpyrazine

109-08-0

C₅H₆N₂

94.1

1280.6

790.72

1.08187

Cocoa, green, hazelnut, popcorn, roasted

0.66 ± 0.01^b

0.28 ± 0.01^e

0.59 ± 0.02^c

0.39 ± 0.01^d

0.92 ± 0.02^a

0.9 ± 0.01^a

Heterocyclic

2-Pentylfuran

3777-69-3

C₉H₁₄O

138.2

1244.6

733.88

1.25403

Butter, floral, fruit, green bean

1.1 ± 0.1^b

0.45 ± 0.03^c

1.31 ± 0.03^a

0.48 ± 0.01^c

0.42 ± 0.03^c

0.22 ± 0.03^d

Heterocyclic

3-Ethylpyridine

536-78-7

C₇H₉N

107.2

1368.3

955.10

1.11324

Nuts

0.14 ± 0.01^d

0.21 ± 0.01^c

0.19 ± 0.01^dc

0.15 ± 0.01^d

0.89 ± 0.05^a

0.33 ± 0.06^b

Heterocyclic

5-Methyl-2(3H)-furanone

591-12-8

C₅H₆O₂

98.1

1427.4

1085.84

1.10444

Floral

0.22 ± 0.01^d

0.18 ± 0^ed

0.35 ± 0.01^c

0.15 ± 0.01^e

1.09 ± 0.06^a

0.53 ± 0.03^b

Heterocyclic

5-Methyl-2-furfural

620-02-0

C₆H₆O₂

110.1

1657.9

1790.404

1.13094

0.35 ± 0.01^b

0.27 ± 0.01^c

0.35 ± 0.02^b

0.24 ± 0.02^c

1.83 ± 0.06^a

0.34 ± 0.08^b

Heterocyclic

Furfural-D

98-01-1

C₅H₄O₂

96.1

1496.2

1260.518

1.33413

Almond, baked potatoes, bread, burnt, spice

0.95 ± 0.02^b

0.89 ± 0.04^b

1.04 ± 0.1^b

0.47 ± 0.02^c

7.19 ± 0.2^a

1.11 ± 0.24^b

Heterocyclic

Furfural-M

98-01-1

C₅H₄O₂

96.1

1496.2

1260.518

1.09033

Almond, baked potatoes, bread, burnt, spice

0.57 ± 0.01^c

0.43 ± 0.01^d

0.45 ± 0.01^d

0.35 ± 0.01^d

2.39 ± 0.01^a

1.56 ± 0.15^b

Heterocyclic

Pyridine

110-86-1

C₅H₅N

79.1

1199.1

667.825

1.04448

1.14 ± 0^d

0.61 ± 0.01^e

1.65 ± 0.04^b

0.36 ± 0.06^f

2.32 ± 0.18^a

1.31 ± 0.08^c

Heterocyclic

100

Pyrrolidine

123-75-1

C₄H₉N

71.1

1016

377.598

1.28864

0.62 ± 0.02^d

3.54 ± 0.12^a

0.48 ± 0.01^e

1.5 ± 0.04^c

0.67 ± 0.02^d

2.4 ± 0.09^b

Heterocyclic

101

Thiophene

110-02-1

C₄H₄S

84.1

1034.3

398.658

1.0328

0.49 ± 0.02^d

0.42 ± 0.02^e

0.64 ± 0.01^c

1.03 ± 0.03^a

0.51 ± 0.01^d

0.84 ± 0.02^b

Heterocyclic

102

o-Xylene

95-47-6

C₈H₁₀

106.2

1173.4

618.824

1.07315

0.1 ± 0^c

0.09 ± 0^c

0.12 ± 0^b

0.12 ± 0.01^b

0.25 ± 0.01^a

0.08 ± 0.01^d

Heterocyclic

103

p-Xylene

106-42-3

C₈H₁₀

106.2

1147.1

567.06

1.07315

0.26 ± 0.01^d

0.39 ± 0.01^b

0.24 ± 0.01^d

0.2 ± 0.01^e

0.36 ± 0.01^c

0.55 ± 0.01^a

Heterocyclic

104

Styrene

100-42-5

C₈H₈

104.2

1229

710.553

1.05222

0.03 ± 0^d

0.05 ± 0^c

0.03 ± 0^d

0.12 ± 0.01^a

0.09 ± 0.01^b

Ketones

105

1-Hydroxy-2-propanone-D

116-09-6

C₃H₆O₂

74.1

1317

854.52

1.23587

Butter, herb, malt, pungent

1.64 ± 0.04^c

1.17 ± 0.05^d

1.52 ± 0.12^dc

0.73 ± 0.02^e

5.07 ± 0.31^a

3.99 ± 0.41^b

Ketones

106

1-Hydroxy-2-propanone-M

116-09-6

C₃H₆O₂

74.1

1316.5

853.51

1.05427

Butter, herb, malt, pungent

2.09 ± 0.03^b

1.27 ± 0.31^c

1.93 ± 0.11^b

1.9 ± 0.08^b

2.11 ± 0.16^b

2.76 ± 0.06^a

Ketones

107

1-Octen-3-one

4312-99-6

C₈H₁₄O

126.2

1332.6

883.886

1.25903

Mushroom-like

0.49 ± 0.04^b

0.35 ± 0.03^c

0.22 ± 0.01^e

0.56 ± 0.02^a

0.27 ± 0.02^d

0.13 ± 0^f

Ketones

108

1-Penten-3-one-D

1629-58-9

C₅H₈O

84.1

1045.2

411.762

1.31179

Fish, green, mustard, pungent

2.31 ± 0.06^c

3.93 ± 0.05^a

2.24 ± 0^c

2.91 ± 0.02^b

1.25 ± 0.02^e

1.66 ± 0.08^d

Ketones

109

1-Penten-3-one-M

1629-58-9

C₅H₈O

84.1

1044.8

411.294

1.08165

Fish, green, mustard, pungent

0.14 ± 0.01^e

0.22 ± 0.01^d

0.24 ± 0.01^c

0.3 ± 0.01^b

0.13 ± 0.01^f

0.34 ± 0.01^a

Ketones

110

2,3-Pentanedione

600-14-6

C₅H₈O₂

100.1

1065.1

436.83

1.20157

1.43 ± 0.09^d

1.19 ± 0.04^e

1.18 ± 0.02^e

2.19 ± 0.01^b

2.39 ± 0.03^a

2 ± 0.06^c

Ketones

111

2-Butanone

78-93-3

C₄H₈O

72.1

920

299.91

1.24879

Fragrant, fruit, pleasant

5.15 ± 0.11^c

4.99 ± 0.1^c

5.4 ± 0.13^b

5.19 ± 0.03^c

5.61 ± 0.15^a

4.16 ± 0.11^d

Ketones

112

2-Cyclohexen-1-one

930-68-7

C₆H₈O

96.1

1447.7

1134.771

1.13097

Solvent

0.1 ± 0^c

0.09 ± 0^c

0.09 ± 0.01^c

0.05 ± 0.01^d

0.57 ± 0.02^a

0.21 ± 0^b

Ketones

113

2-Heptanone-D

110-43-0

C₇H₁₄O

114.2

1194.5

661.598

1.63447

Blue cheese, fruit, green, nut, spice

1.31 ± 0.1^b

0.42 ± 0^e

1.66 ± 0.07^a

0.93 ± 0.01^c

0.58 ± 0.01^d

0.21 ± 0.02^f

Ketones

114

2-Heptanone-M

110-43-0

C₇H₁₄O

114.2

1194.5

661.598

1.26404

Blue cheese, fruit, green, nut, spice

0.23 ± 0.01^d

0.16 ± 0^e

0.3 ± 0^a

0.24 ± 0^c

0.26 ± 0^b

0.1 ± 0^f

Ketones

115

2-Hexanone

591-78-6

C₆H₁₂O

100.2

1100.5

485.841

1.49596

0.76 ± 0.02^b

0.31 ± 0.01^d

1.26 ± 0.06^a

0.69 ± 0.01^c

0.74 ± 0.01^b

0.36 ± 0.02^c

Ketones

116

2-Octanone-D

111-13-7

C₈H₁₆O

128.2

1297.5

819.08

1.7618

Fat, fragrant, mold

9.92 ± 0.11^a

9.41 ± 0.11^b

9.44 ± 0.1^b

0.2 ± 0.06^c

0.23 ± 0.03^c

0.22 ± 0.02^c

Ketones

117

2-Octanone-M

111-13-7

C₈H₁₆O

128.2

1296.4

817.05

1.33321

Fat, fragrant, mold

2.39 ± 0.05^c

3.02 ± 0.09^a

2.76 ± 0.02^b

0.51 ± 0.07^e

2.77 ± 0.15^b

2.08 ± 0.1^d

Ketones

118

2-Pentanone

107-87-9

C₅H₁₀O

86.1

1001.9

362.154

1.36964

Fruit, pungent

3.88 ± 0.06^a

1.64 ± 0.08^d

3.97 ± 0.1^a

2.3 ± 0.01^c

2.53 ± 0.07^b

1.35 ± 0.06^f

Ketones

119

3-Hydroxy-2-butanone

513-86-0

C₄H₈O₂

88.1

1304.3

831.23

1.06299

Butter, creamy, green pepper

0.52 ± 0.01^d

0.19 ± 0.02^f

0.48 ± 0.01^e

0.75 ± 0.01^c

1.53 ± 0.04^b

1.76 ± 0.01^a

Ketones

120

3-Methyl-2-pentanone

565-61-7

C₆H₁₂O

100.2

1038.6

403.778

1.48107

0.52 ± 0.06^b

0.18 ± 0.01^d

0.72 ± 0.07^a

0.18 ± 0.01^d

0.34 ± 0^c

0.07 ± 0.01^e

Ketones

121

4-Methyl-2-pentanone

108-10-1

C₆H₁₂O

100.2

1020.5

382.746

1.46735

2.48 ± 0.27^b

0.24 ± 0.01^d

3.54 ± 0.26^a

1.42 ± 0.04^c

1.49 ± 0.03^c

0.29 ± 0.02^d

Ketones

122

4-Methyl-3-penten-2-one-D

141-79-7

C₆H₁₀O

98.1

1153.9

580.021

1.44681

Plastic, earthy

4.29 ± 0.11^b

2.7 ± 0.11^d

5.21 ± 0.07^a

1.39 ± 0.01^f

3.24 ± 0.06^c

2.4 ± 0.12^e

Ketones

123

4-Methyl-3-penten-2-one-M

141-79-7

C₆H₁₀O

98.1

1153.6

579.399

1.1144

Plastic, earthy

1.07 ± 0.01^e

1.2 ± 0.03^c

1.16 ± 0^d

1 ± 0.01^f

1.25 ± 0.02^b

1.49 ± 0.01^a

Ketones

124

5-Methyl-3-heptanone

541-85-5

C₈H₁₆O

128.2

1232.9

716.34

1.69299

0.2 ± 0.01^a

0.14 ± 0.01^d

0.2 ± 0.01^a

0.16 ± 0^c

0.09 ± 0^e

0.19 ± 0.01^b

Ketones

125

6-Methyl-5-hepten-2-one

110-93-0

C₈H₁₄O

126.2

1348.3

914.52

1.18166

Citrus, mushroom, pepper, rubber, strawberry

2.64 ± 0.01^a

1.03 ± 0.02^c

1.84 ± 0.05^b

0.74 ± 0.02^d

0.33 ± 0.02^e

0.36 ± 0.01^e

Ketones

126

Acetone

67-64-1

C₃H₆O

58.1

842.2

251.706

1.11765

Pungent

5.59 ± 0.14^c

6.47 ± 0.45^a

6.34 ± 0.22^ab

5.97 ± 0.06^bc

4.15 ± 0.16^e

5.16 ± 0.05^d

Ketones

127

Acetophenone

98-86-2

C₈H₈O

120.2

1693.3

1933.34

1.17861

Floral

0.91 ± 0.03^c

0.67 ± 0.05^d

1.1 ± 0.04^b

0.16 ± 0.04^e

0.96 ± 0.13^c

1.25 ± 0.04^a

Ketones

128

Cyclohexanone

108-94-1

C₆H₁₀O

98.1

1305.1

832.623

1.16556

Mint, cool

0.07 ± 0.02^b

0.03 ± 0^c

0.04 ± 0^c

0.06 ± 0^b

0.1 ± 0.01^a

0.09 ± 0^a

Ketones

129

Cyclopentanone

120-92-3

C₅H₈O

84.1

1148.4

569.422

1.33214

Mint, cool

1.64 ± 0.08^dc

2.24 ± 0.09^a

1.75 ± 0.02^c

2.01 ± 0.03^b

1.63 ± 0.06^d

1.18 ± 0.04^e

Ketones

130

Diacetyl

431-03-8

C₄H₆O₂

86.1

988.6

349.986

1.1665

Butter, pastry, yeast

0.18 ± 0.01^cb

0.35 ± 0.01^a

0.19 ± 0.02^b

0.17 ± 0.01^cd

0.16 ± 0.01^d

0.17 ± 0.01^cd

Sulphides

131

Dimethyl disulfide

624-92-0

C₂H₆S₂

94.2

1087.2

466.423

1.13615

Cabbage-like, sulfury

1.12 ± 0.01^a

0.71 ± 0.03^b

0.26 ± 0.02^d

0.58 ± 0.02^c

0.1 ± 0.01^e

0.12 ± 0.01^e

Sulphides

132

Dimethyl sulfide-D

75-18-3

C₂H₆S

62.1

796.2

226.902

1.12279

Asparagus-like, putrid, cooked corn-like

2.9 ± 0.01^c

2.48 ± 0.18^d

3.66 ± 0.05^a

3.31 ± 0.05^b

3.03 ± 0.12^c

3.54 ± 0.09^a

Sulphides

133

Dimethyl sulfide-M

75-18-3

C₂H₆S

62.1

795.3

226.434

0.96723

Asparagus-like, putrid, cooked corn-like

1.02 ± 0.02^e

1.16 ± 0.11^c

1.11 ± 0.01^cd

1.03 ± 0.02^ed

1.33 ± 0.02^b

1.5 ± 0.02^a

Sulphides

134

Methional

3268-49-3

C₄H₈OS

104.2

1475.1

1204.093

1.09824

Cooked potato-like

0.12 ± 0.01^b

0.07 ± 0.02^c

0.12 ± 0.01^b

0.18 ± 0.01^a

0.12 ± 0.01^b

0.18 ± 0.01^a

Terpenes

135

3-Carene

13466-78-9

C₁₀H₁₆

136.2

1160

591.853

1.28612

Lemon

0.12 ± 0^c

0.08 ± 0.01^e

0.13 ± 0^b

0.08 ± 0^e

0.1 ± 0^d

0.15 ± 0^a

Terpenes

136

alpha-Phellandrene

99-83-2

C₁₀H₁₆

136.2

1178.8

629.839

1.68231

Citrus, fresh, mint, pepper, spice, wood

0.49 ± 0.01^a

0.06 ± 0.01^f

0.47 ± 0.01^b

0.25 ± 0.01^d

0.4 ± 0.02^c

0.13 ± 0.01^e

Terpenes

137

alpha-Terpinene

99-86-5

C₁₀H₁₆

136.2

1187.5

648.433

1.22012

Citrus, woody, spicy, lemon-like

0.13 ± 0.01^a

0.08 ± 0.01^c

0.11 ± 0.01^b

0.1 ± 0^b

0.08 ± 0^c

0.06 ± 0.01^d

Terpenes

138

beta-Pinene

127-91-3

C₁₀H₁₆

136.2

1139.1

552.162

1.21279

Pine, polish, wood

0.42 ± 0.02^b

0.87 ± 0.02^a

0.21 ± 0.01^d

0.16 ± 0.01^e

0.34 ± 0.01^c

0.14 ± 0^f

Terpenes

139

Camphene

79-92-5

C₁₀H₁₆

136.2

1110.9

502.761

1.72608

Camphor, mothball, oil, warm

0.19 ± 0.03^c

0.04 ± 0.01^d

0.26 ± 0^b

0.62 ± 0.02^a

0.25 ± 0.01^b

0.03 ± 0^d

Terpenes

140

gamma-Terpinene

99-85-4

C₁₀H₁₆

136.2

1261.6

760.18

1.21317

Citrus, lemon-like, woody, spicy, juicy

0.3 ± 0.01^b

0.18 ± 0.01^c

0.64 ± 0.01^a

0.18 ± 0^c

0.19 ± 0.01^c

0.18 ± 0.01^c

Terpenes

141

Limonene

138-86-3

C₁₀H₁₆

136.2

1206.1

677.599

1.2187

Citrus-like, carrot-like

0.16 ± 0^c

0.19 ± 0.01^b

0.26 ± 0.02^a

0.1 ± 0^e

0.14 ± 0.02^cd

0.14 ± 0.01^d

Terpenes

142

Myrcene

123-35-3

C₁₀H₁₆

136.2

1175.9

623.836

1.22062

Balsamic, fruit, geranium, herb, must

0.1 ± 0^a

0.05 ± 0^c

0.09 ± 0.01^b

0.05 ± 0^cd

0.04 ± 0^d

0.04 ± 0^e

Terpenes

143

Terpinolene

586-62-9

C₁₀H₁₆

136.2

1287.5

802.002

1.22298

Pine

0.17 ± 0.02^ab

0.14 ± 0.01^b

0.18 ± 0.04^a

0.03 ± 0.01^d

0.08 ± 0.02^c

N, no aroma description of the substance was found. a, b, c, and d indicate significant difference. Odor descriptions were from the literature [4, 12, 23, 24] or from FEMA database.