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Table 1 Compounds identified in the Ecuadorian spirits beverages using GC × GC-QMS

From: Comprehensive two-dimensional gas chromatography–mass spectrometry combined with multivariate data analysis for pattern recognition in Ecuadorian spirits

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Compounds

LTPRI Exp

LTPRI Lit

Pájaro azul

Pata de vaca

Puro

CIS (*)

1

Ethanol

460

463

x

x

x

 

2

2-Propanol

480

482

x

x

x

 

3

2-Methyl-1-propanol

630

628

x

x

x

 

4

2-Butanol

579

581

x

x

x

 

5

Ethyl acetate

644

647

x

x

x

 

6

n-Butanal

643

650

x

x

x

 

7

n-Butanol

660

662

x

x

x

 

8

Ethyl propanoate

708

686

x

x

x

 

9

2-Methyl-1-butanol

697

697

x

x

x

 

11

3-Methyl-1-butanol

754

734

x

x

x

 

12

3-Hydroxybutanal

768

770

x

x

x

 

14

n-Pentanol

760

766

x

x

x

 

15

2-Methyl-1-butanol

729

731

x

x

x

 

16

Hexanal

799

801

x

x

x

 

17

Ethyl 2-hydroxypropanoate

811

814

x

x

x

 

18

Furfural

831

845

x

x

x

 

19

n-Hexanol

861

860

x

x

x

 

20

Isopentyl acetate

872

871

x

x

x

 

21

Ethyl pentanoate

884

887

x

x

x

 

22

Heptanal

902

906

x

x

x

 

23

2-Heptanol

910

913

x

x

x

 

24

1-Heptanol

980

981

x

x

x

 

25

1S-α-Pinene

945

948

x

x

  

26

2-Hydroxy-3-pentanone

974

960

x

x

x

 

27

2(R)-Octanol

973

976

x

x

x

 

28

β-Pinene

980

978

x

x

  

29

Ethyl hexanoate

985

984

x

x

x

 

30

n-Octanal

1002

1005

x

x

x

 

31

Carene

1008

1009

x

x

  

32

α-Terpinene

1018

1017

x

x

  

33

p-Cymene

1021

1025

x

x

  

34

1,3,8-p-Menthatriene

1023

1029

x

x

  

35

d-Limonene

1027

1030

x

x

  

36

β-Ocimene

1046

1046

x

x

  

37

γ-Terpinene

1056

1058

x

x

  

38

2-Cyclopenten-1-one

1058

1060

x

x

x

 

39

n-Octanol

1073

1076

x

x

x

 

40

2-Nonanol

1079

1078

x

x

x

 

41

Linalool

1088

1081

x

x

  

42

Ethyl heptanoate

1084

1083

x

x

  

43

Terpinolene

1085

1086

x

x

  

44

2-Nonanone

1090

1093

x

x

x

 

45

n-Nonanal

1106

1104

x

x

x

 

46

2,4-Dimethylanisole

1112

1110

x

x

  

47

Acetophenone

1100

1142

x

x

  

48

p-Menthane

1217

1148

x

x

  

49

p-Cumenol

1112

1149

x

x

  

50

1-Nonanol

1160

1159

x

x

x

 

51

Citronellal

1161

1161

x

x

  

52

Ethyl benzoate

1170

1170

x

x

  

53

Estragole

1170

1172

x

x

  

54

Terpinen-4-ol

1182

1180

x

x

  

55

Diethyl succinate

1180

1183

x

x

x

 

56

Methyl salicylate

1192

1192

x

x

  

57

Ethyl octanoate

1200

1202

x

x

  

58

p-Propyl anisole

1205

1207

x

x

  

59

Citronellol

1225

1228

x

x

  

60

(Z)-Anethole

1255

1253

x

x

 

*

61

Geraniol

1257

1255

x

x

  

62

Phenethyl acetate

1260

1257

x

x

  

63

1-Decanol

1263

1258

x

x

x

 

64

Ethyl-non-3-enoate

1270

1272

x

x

x

 

65

(E)-Anethole

1289

1288

x

x

 

*

66

Undecen-2-ol

1294

1295

x

x

x

 

67

Undecan-2-one

1297

1296

x

x

x

 

68

Propyl octanoate

1302

1300

x

x

x

 

69

2-Undecanol

1305

1303

x

x

x

 

70

4-Propylguaiacol

1320

1313

x

x

  

71

Sec-butyl octanoate

1327

1317

x

x

x

 

72

4-Allylphenyl acetate

1373

1362

x

x

x

 

73

β-Damascenone

1378

1379

x

x

  

74

p-acetonylanisole

1387

1384

x

x

  

75

Ethyl-dec-9-enoate

1390

1389

x

x

x

 

76

Ethyl decanoate

1396

1399

x

x

  

77

n-Dodecanal

1409

1402

x

x

x

 

78

Methyl anthranilate

1410

1410

x

x

  

79

(−)-cis-α-bergamotene

1417

1416

x

x

 

*

80

β-Caryophyllene

1423

1424

x

x

  

81

3-Methylbutyl octanoate

1448

1446

x

x

x

 

82

Isopentyl octanoate

1445

1449

x

x

  

83

β-Farnesene

1460

1452

x

x

 

*

84

(−)-trans-α-bergamotene

1456

1458

 

x

 

*

85

α-Farnesene

1458

1460

x

x

 

*

86

n-Dodecanol

1475

1473

x

x

x

 

87

Ethyl undecanoate

1495

1498

x

x

  

88

β-Bisabolene

1510

1508

x

x

  

89

Nerolidol

1563

1564

x

x

  

90

n-Tridecanol

1578

1575

x

x

x

 

91

Ethyl dodecanoate

1595

1598

x

x

  

92

iso-Amyl n-decanoate

1620

1615

x

x

  

93

n-Tetradecanol

1679

1677

x

x

x

 

94

Foeniculin

1681

1679

x

x

  

95

α-Bisabolol

1683

1688

x

x

  

96

Ethyl tetradecanoate

1775

1794

x

x

x

 

97

Ethyl pentadecanoate

1858

1878

x

x

x

 

98

Ethyl hexadecanoate

1940

1978

x

x

x

 

99

Ethyl heptadecanoate

2050

2077

x

x

x

 

100

Ethyl octadecanoate

2050

2177

x

x

x

 
  1. CIS (*): Compounds identified by structuration