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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