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Table 3 The volatile aroma compounds detected and measured in the samples collected from different spatial positions of pit

From: Bacterial diversity associated with volatile compound accumulation in pit mud of Chinese strong-flavor baijiu pit

Number

Aroma compounds

Retention time (min)

Identification

Contents of volatile aroma compounds of pit mud(µg/mg)

U

M

D

B

Volatile acids

 AC1

Propionic acid

12.383

MS, RI

69.929 ± 2.214

56.783 ± 1.254

34.543 ± 1.987

6.254 ± 0.587

 AC2

Butyric acid

14.547

MS, RI

135.802 ± 5.365

358.306 ± 6.321

469.598 ± 4.025

364.421 ± 3.587

 AC3

Pentanoic acid

16.761

MS, RI

ND

12.452 ± 0.584

87.452 ± 5.026

79.444 ± 1.357

 AC4

2-Benzylpropionic acid

17.746

MS, RI

ND

ND

27.673 ± 1.025

38.215 ± 3.541

 AC5

4-methyl-pentanoic acid

18.351

MS, RI

ND

5.353 ± 0.325

13.488 ± 0.897

9.967 ± 0.869

 AC6

Caproic acid

19.468

MS, RI

308.398 ± 12.321

783.231 ± 16.214

2421.936 ± 16.321

1652.168 ± 10.214

 AC7

Heptanoic acid

21.72

MS, RI

328.312 ± 6.325

210.432 ± 4.321

95.562 ± 3.351

ND

 AC8

Octanol acid

24.193

MS, RI

638.129 ± 8.369

907.256 ± 3.651

1006.955 ± 8.354

1142.957 ± 9.325

 AC9

Nonanoic acid

26.735

MS, RI

24.469 ± 2.351

35.4226 ± 2.584

45.544 ± 2.102

20.342 ± 0.156

 AC10

n-Decanoic acid

28.514

MS, RI

27.159 ± 1.695

61.789 ± 1.587

77.172 ± 1.650

29.683 ± 0.365

 AC11

Benzoic acid

30.35

MS, RI

9.905 ± 0.895

22.745 ± 1.

021

40.110 ± 1.365

22.793 ± 0.201

 AC12

Decanoic acid

31.025

MS, RI

ND

ND

12.919 ± 0.987

6.754 ± 0.965

 AC13

Benzeneacetic acid

31.675

MS, RI

ND

21.556 ± 0.202

62.141 ± 2.036

15.169 ± 1.589

 AC14

Tetradecanoic acid

32.956

MS, RI

ND

ND

14.0171 ± 0.876

8.432 ± 0.968

 AC15

n-Hexadecanoic acid

34.615

MS, RI

ND

7.338 ± 0.658

8.357 ± 0.879

7.060 ± 0.756

 

Σ

  

1542.103 ± 16.325

2482.6636 ± 12.354

4417.4671 ± 25.

362

3403.659 ± 21.021

Esters

 ES1

Ethyl valerate

2.176

MS, RI

ND

9.751 ± 0.768

41.516 ± 1.036

20.145 ± 1.879

 ES2

Ethyl acetate

3.274

MS, RI

320.23 ± 7.558

516.276 ± 23.258

833.687 ± 22.369

670.564 ± 21.527

 ES3

Ethyl caproate

4.012

MS, RI

210.21 ± 6.321

1102.194 ± 20.021

1534.301 ± 18.654

1210.365 ± 18.654

 ES4

Ethyl butyrate

6.125

MS, RI

118.356 ± 8.943

469.735 ± 26.793

632.441 ± 21.786

535.436 ± 20.894

 ES5

Ethyl heptanoate

6.529

MS, RI

218.620 ± 8.32

243.079 ± 2.065

428.677 ± 10.365

321.845 ± 9.587

 ES6

Ethyl benzoate

9.140

MS, RI

17.566 ± 0.987

24.534 ± 1.231

48.611 ± 0.986

36.397 ± 2.654

 ES7

Ethyl nonanoate

12.301

MS, RI

11.324 ± 1.032

19.631 ± 1.032

28.086 ± 0.986

23.254 ± 1.841

 ES8

Ethyl lactate

12.418

MS, RI

991.863 ± 27.32

787.467 ± 11.236

357.324 ± 10.587

465.320 ± 21.695

 ES9

Ethyl caprate

14.137

MS, RI

ND

47.389 ± 2.365

230.889 ± 6.354

118.558 ± 1.005

 ES10

Ethyl undecanoate

17.569

MS, RI

ND

7.167 ± 0.865

22.000 ± 0.864

10.235 ± 0.986

 ES11

Benzeneacetic acid

18.099

MS, RI

ND

44.595 ± 1.036

63.735 ± 1.032

46.626 ± 0.653

 ES12

Ethyl 3-phenylpropanoate

19.990

MS, RI

52.648 ± 1.365

70.878 ± 2.351

88.514 ± 4.235

80.603 ± 4.658

 ES13

Ethyl tridecanoate

20.559

MS, RI

12.576 ± 0.989

9.563 ± 0.897

ND

ND

 ES14

Ethyl phenylacetate

22.372

MS, RI

ND

ND

9.684 ± 0.945

6.626 ± 0.876

 ES15

Ethyl myristate

26.401

MS, RI

ND

7.743 ± 0.852

23.838 ± 3.621

19.523 ± 1.894

 ES16

Ethyl Palmitate

28.212

MS, RI

31.831 ± 3.025

114.508 ± 6.321

157.149 ± 9.362

183.678 ± 4.658

 

Σ

1985.224

3474.51

1985.224 ± 8.980

3474.51 ± 2.125

4500.452 ± 1111

3789.175 ± 17.879

Alcohols

 AL1

Hexanol

7.28

MS, RI

5.211 ± 0.421

11.036 ± 1.982

27.368 ± 3.659

16.124 ± 2.033

 AL2

Enanthol

11.241

MS, RI

6.263 ± 0.206

3.955 ± 0.057

2.775 ± 0.082

1.187 ± 0.032

 AL3

Isobutanol

11.342

MS, RI

16 0.215 ± 0.596

9.356 ± 0.163

7.625 ± 0.355

4.845 ± 0.085

 AL4

Isooctanol

12.105

MS, RI

8.389 ± 0.732

4.279 ± 0.389

2.207 ± 0.303

0.875 ± 0.069

 AL5

1-Butanol

12.675

MS, RI

0.786 ± 0.462

4.268 ± 0.863

7.441 ± 0.986

5.079 ± 0.458

 AL6

2,3-butanediol

13.432

MS, RI

ND

1.487 ± 0.354

3.096 ± 0.855

2.0154 ± 0.019

 AL7

1-Pentanol

15.090

MS, RI

0.897 ± 0.101

3.653 ± 0.563

6.143 ± 0.996

5.321 ± 0.686

 AL8

1-nonanol

15.966

MS, RI

7.232 ± 0.203

6.167 ± 0.202

3.147 ± 0.303

2.847 ± 0.303

 AL9

2-Heptanol

16.620

MS, RI

3.827 ± 0.682

2.565 ± 0.063

1.897 ± 0.063

1.028 ± 0.013

 

Σ

  

32.605 ± 1.641

35.730 ± 2.036

61.699 ± 4.233

39.321 ± 1.032

Aldehydes

 AD1

2-Heptenal

7.879

MS, RI

4.715 ± 0.398

3.267 ± 0.368

1.132 ± 0.132

0.587 ± 0.0498

 AD2

Nonaldehyde

9.453

MS, RI

0.765 ± 0.056

3.188 ± 0.296

6.132 ± 0.568

4.012 ± 0.365

 AD3

Benzaldehyde

12.809

MS, RI

1.315 ± 0.980

2.332 ± 0.205

4.366 ± 0.396

3.254 ± 0.296

 AD4

2-undecenal

17.723

MS, RI

0.875 ± 0.056

1.925 ± 0.123

3.135 ± 0.268

2.015 ± 0.158

 AD5

Pentanal

18.202

MS, RI

0.765 ± 0.063

1.897 ± 0.106

2.278 ± 0.260

1.968 ± 0.103

 AD6

2-phenyl-2-butenal

21.621

MS, RI

1.032 ± 0.012

1.378 ± 0.101

4.543 ± 0.385

2.014 ± 0.186

 

Σ

  

9.467 ± 0.851

13.987 ± 0.998

21.586 ± 0.968

13.85 ± 1.103

Ketones

 KE1

2-octanone

6.576

MS, RI

8.419 ± 0.098

3.251 ± 0.299

2.014 ± 0.203

ND

 KE2

2-Heptanone

9.354

MS, RI

13.902 ± 0.986

8.564 ± 0.787

3.214 ± 0.654

0.987 ± 0.088

 KE3

Undecanone

17.689

MS, RI

3.564 ± 0.336

8.572 ± 0.796

13.715 ± 1.021

9.254 ± 0.087

 

Σ

  

25.885 ± 1.035

20.387 ± 0.212

18.943 ± 1.036

10.241 ± 0.098

 

Alkanes

 

MS, RI

    

 AK1

Dodecamethylcyclohexasiloxane

7.784

MS, RI

6.269 ± 0.556

8.251 ± 0.774

14.340 ± 0.985

10.254 ± 1.213

 AK2

Decamethylcyclopentasiloxane

2.239

MS, RI

24.768 ± 0.205

12.354 ± 0.105

8.657 ± 0.754

2.587 ± 0.302

 AK3

Decamethyltetrasiloxane

19.247

MS, RI

23.010 ± 0.271

11.587 ± 0.989

6.587 ± 0.563

3.254 ± 0.289

 AK4

2-phenyl-2-butenal

21.556

MS, RI

ND

9.564 ± 0.785

ND

ND

 

Σ

  

54.047 ± 4.058

41.756 ± 0.687

29.584 ± 0.587

16.095 ± 0.989

Volatile phenols

 VP1

Phenol

24.562

MS, RI

ND

1.871 ± 0.152

3.254 ± 0.285

2.012 ± 0.156

 VP2

2-Methylphenol

24.603

MS, RI

27.519 ± 1.996

35.602 ± 2.698

28.161 ± 1.365

32.985 ± 2.032

 VP3

3-methylphenol

24.799

MS, RI

10.701 ± 1.023

ND

ND

ND

 

Σ

  

22.22 ± 1.354

37.473 ± 2.654

28.415 ± 2.023

21.997 ± 1.652