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Table 1 Composition of two kinds of vinegar extract

From: Application of a strategy based on metabolomics guided promoting blood circulation bioactivity compounds screening of vinegar

Peak no.

TR (min)

RI

Molecular weight

Molecular formula

Compounds

Index of similarity

VIP

Mean content (%)

RV

WV

1

5.83

1022

90

C4H10O2

1,3-Butanediol

93

0.688

0.282

2

6.58

1048

192

C8H16O5

6-Deoxy-3-C-methyl-2-O-methyl

92

0.825

0.302

3

6.93

1059

174

C8H14O4

2,3-Butanediol

91

1.047

3.178

4

6.93

1059

174

C8H14O4

2,3-Butanedioldiacetate

90

1.028

0.416

5

7.46

1083

132

C6H12O3

3-Methoxypropyl acetate

97

1.100

0.866

6

7.64

1077

132

C6H12O3

Ethyl 2-hydroxybutyrate

97

1.126

2.128

7

8.00

1096

84

C4H8N2

4,5-Dihydro-3-methyl-1H-pyrazole

95

1.097

1.940

8

8.37

1106

160

C8H16O3

2-Methoxymethyl-2,4,5-trimethyl-1,3-dioxolane

97

0.905

0.954

9

9.64

1151

160

C7H12O4

Trimethylene acetate

94

1.212

1.360

10

9.90

1161

102

C5H14N2

Pentamethylenediamine

99

1.224

2.546

11

10.37

1176

122

C7H10N2

2,3,5-Trimethyl pyrazine

90

1.250

1.328

12

13.97

1251

131

C6H13NO2

Isoleucine

90

1.029

3.088

13

14.30

1257

136

C8H12N2

Tetramethylpyrazin

95

1.198

4.772

14

15.80

1283

132

C6H12O3

2-Hydrooxy-4-methyl-Pentanoic acid

98

0.620

1.408

15

16.16

1289

150

C9H14N2

2,5-Dimethyl-3-isopropylpyrazine

90

0.801

3.398

16

16.20

1290

112

C5H4O3

2-Furoic acid

96

0.551

0.078

17

17.38

1311

162

C7H14O4

3,4-Dihydroxy-3-methyl-butyl

95

0.894

0.144

18

18.52

1331

122

C8H10O

Phenylethyl alcohol

90

1.063

0.658

19

20.18

1360

131

C5H9NO3

2-Acetylaminopropionic acid

86

1.119

2.892

20

21.17

1378

85

C4H7NO

α-Pyrrolidone

93

1.241

1.426

21

22.45

1400

286

C16H30O4

2-Ethylhexyl isohexyl ester oxalic acid

91

0.522

1.548

1.312

22

23.00

1415

162

C6H10O5

6-Deoxy-d-mannono-4-lactone

90

0.132

0.152

0.188

23

26.23

1505

137

C7H7NO2

1-Methyl-3-notro-benzene

93

1.230

1.438

24

26.46

1511

180

C9H8O4

Phenyl-propanedioic acid

91

0.886

0.348

25

26.50

1512

198

C14H3

2,3,5,8-Tetramethyldecane

94

1.090

0.096

26

26.86

1512

342

C20H38O4

Oxalic acid, decyl-2-ethylhexyl ester

95

1.090

0.096

27

27.47

1539

146

C6H10O4

Isosorbide

93

0.657

0.198

0.098

28

28.28

1561

126

C6H6O3

5-Butyldihydro-4-methyl-2(3H)-Furanone

93

1.092

0.198

29

28.46

1556

150

C9H10O2

4-Hydroxy-3-methoxystyrene

98

0.852

0.610

30

28.50

1566

150

C9H10O2

2-Methoxy-4-vinylphenol

92

0.639

0.240

0.074

31

31.50

1672

171

C8H13NO3

N-cyclopropylcarbonyl-1-alanine-methyl ester

95

1.247

1.250

32

31.98

1690

164

C10H12O2

3-Isopropoxybenzaldehyde

91

0.781

0.132

0.034

33

32.58

1714

146

C9H10N2

3,4-Dimethylpyrrolo[1,2-a]pyrazine

98

1.121

2.980

34

33.24

1741

152

C8H8O3

Vanillin

93

0.823

0.308

0.042

35

33.28

1742

152

C8H8O3

4-Hydroxy-3-methoxy-Benzoic acid

98

0.652

0.438

0.152

36

36.72

1874

150

C9H14N2

2,3,5-Trimethyl-6-ethylpyrazine

90

1.154

2.338

37

41.13

2027

166

C9H10O3

Hydrocinnamic acid

92

0.520

0.194

0.062

38

43.30

2082

224

C12H16O4

Ethl-β-(4-hydroxy-3-methoxy-phenyl)-propionate

92

0.936

0.459

39

45.09

2126

196

C10H12O4

3-(4-Hydroxy-3-methoxyphenyl)propionic acid

90

0.689

5.648

40

48.51

2209

170

C8H14N2O2

2,5-Dioxo-3-isopropyl-6-methylpiperazine

92

1.005

2.614

41

49.84

2229

143

C7H13NO2

3-Pyrrolidin-2-yl-propionic acid

89

1.210

1.674

42

54.67

2301

222

C12H14O4

Ethyl(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate

90

0.359

0.648

0.232

43

56.18

2324

154

C7H10N2O2

Hexahydropyrrolo

91

1.233

1.388

44

56.23

2324

154

C7H10N2O2

1,4-Diaza-2,5-dioxobicyclo

92

1.091

5.494

45

58.70

2362

186

C12H14N2

1,2,3,4-Tetrahydro-harmane

90

1.233

4.978

46

60.46

2387

210

C11H18N2O2

3-Isobutylhexahydropyrrolo

88

1.010

5.046

47

61.39

2402

210

C11H18N2O2

Leucylprolyl

91

1.083

4.260

48

64.20

2449

182

C12H10N2

Harmane

92

1.223

1.832

49

67.71

2506

250

C14H22N2O2

5,10-Diethoxy-2,3,7,8-tetrahydro-1H,6H-dipyrrolo[1,2-a;1′,2′-d]pyrazine

91

1.245

2.352

50

79.12

2761

218

C12H14N2O2

3-Benzyl-6-methyl-2,5-piperazinedione

80

1.107

4.068

51

81.40

2832

246

C14H18N2O2

2-Benzyl-3,6-dioxo-5-isopropylpiperazine

81

1.193

1.868

52

86.80

3036

583

C33H37N5O5

Dihydroergotamine

86

1.094

5.458

53

87.11

3047

244

C14H16N2O2

3-Benzylhexahydroprrolo[1,2-a]pyrazine-1,4-dione

92

1.003

2.742