Table 1.
Peaks of metabolites found in the hydroalcoholic extract of Salvia Hispanica L. via UPLC-q-TOF-ESI-MS/MS
| Peak No. | compound name | RT | Experimental MWT | molecular formula | fragments | Mean error (m/z) (ppm) | peak area % | Class | Literature |
|---|---|---|---|---|---|---|---|---|---|
| CH1 | Sesamosea | 0.95 | 665.2122 | C 24 H 41 O 21 | 383.1177(37.43%), 341.1076(28.28%), 221.0661(23.63%), 179.0546(100%), 101.0229(9.65%) | -2.706 | 0.025 | oligosaccharides | [38] |
| CH2 | Raffinosea | 0.96 | 503.1634 | C 18 H 31 O 16 | 233.0653(29.64%), 179.0550(89.88%), 161.0445(17.57%), 221.0655(28.57%) | 4.372 | 0.118 | oligosaccharides | [39] |
| CH3 | trehalose | 1 | 341.1075 | C 12 H 21 O 11 | 179.0550(53.81%), 161.0456(3.15%), 119.0338(44.88%), 101.0233(89.59%), 143.0344(2.95%), 149.0445(1.93%), 131.0335(7.12%), 113.0233(100%) | -2.638 | 0.565 | disaccharide | [40, 41] |
| CH4 | hydroxyhydrocaffeic acida | 2.78 | 197.0449 | C 9 H 9 O 5 | 135.0432(100%), 134.0368(63.76%), 123.0454(74.24%), 122.0364(65.50%) | -0.507 | 0.005 | Phenolic acid | [42] |
| CH5 | glucosyringic acida | 2.96 | 359.096 | C 15 H 19 O 10 | 197.0467(56.90%), 179.0340(100%), 135.0444(60.85%), 123.0439(47.61%) | -5.013 | 0.012 | phenolic glycoside | [43] |
| CH6 | caftaric acida | 3.54 | 311.0397 | C 13 H 11 O 9 | 179.0331(7.00%), 135.0436(100%), 134.0362(18.09%) | -1.961 | 0.066 | coumaric acids | [42] |
| CH7 | fertaric acida | 7.62 | 325.0559 | C 14 H 13 O 9 | 193.0493(18.00%), 149.0606(6.35%), 134.0362(100%), 117.0344(3.65%) | -0.185 | 0.004 | coumaric acids | [44] |
| CH8 | glucocaffeic acida | 7.66 | 341.0864 | C 15 H 17 O 9 | 179.0340(34.38%), 135.0441(100%) | -2.521 | 0.005 | phenolic glycoside | [42] |
| CH9 | osmanthuside Hc | 8.18 | 431.1571 | C 19 H 27 O 11 | 191.0556(100%), 149.0444(78.10%), 113.0235(75.62%) | 4.082 | 0.003 | Phenylethanoid glycoside | [45] |
| CH10 | ethyl vanillatea | 10.49 | 195.0648 | C 10 H 11 O 4 | 180.0409(18.03%), 136.0154(61.57%), 108.0209(100%), 165.0181(16.89%), 137.0228(34.06%), 109.0299(24.29%), 121.0277(10.44%), 122.0363(8.44%), 107.0148(14.42%) | -4.768 | 0.016 | Phenolic ester | [42] |
| CH11 | Ethylsyringatea | 10.98 | 225.0755 | C 11 H 13 O 5 | 180.0409(14.25%), 165.0182(100%), 137.0231(80.19%), 109.0284(17.01%), 151.0394(2.76%) | -3.554 | 0.004 | Phenolic ester | [42] |
| CH12 | regaloside B | 11.03 | 441.1409 | C 20 H 25 O 11 | 163.0383(100%),145.0282(84.83%) | 2.743 | 0.002 | Phenolic glycoside | [46] |
| CH13 | polygonolide | 11.54 | 219.0653 | C 12 H 11 O 4 | 232.0369(100%), 135.0073(34.61%), 107.0126(67.26%) | -1.963 | 0.016 | Sesquiterpenoid lactone | Tentative |
| CH14 | metasequirin D | 11.61 | 345.1355 | C 19 H 21 O 6 | 343.1154(68.64%), 165.0545(100%), 150.0311(99.32%), 149.0228(96.82%), 270.0875(69.55%) | 4.868 | 0.002 | Triterpenoid saponin | Tentative |
| CH15 | catechin-o-gallatea | 11.76 | 441.0838 | C 22 H 17 O 10 | 321.0414(34.53%), 279.0315(96.52%) | 3.673 | 0.002 | Flavonoid | [47] |
| CH16 | arillatose Bb | 12.95 | 517.1550 | C 22 H 29 O 14 | 193.0501(100%), 175.0395(65.41%), 134.0366(57.64%) | -1.431 | 0.008 | Phenolic glycoside | [48] |
| CH17 | lithospermic acidb | 13.13 | 537.1012 | C 27 H 21 O 12 | 339.0479(100%), 295.0601(44.25%), 229.0139(48.94%), 135.0444(13.29%) | -3.928 | 0.004 | Phenolic acid ester | [49] |
| CH18 | methyl homovanillateb | 14.33 | 195.065 | C 10 H 11 O 4 | 150.0306(37.10%), 122.0356(87.33%), 149.0231(100%), 121.0292(77.53%) | -3.742 | 0.09 | Phenolic acid ester | [50] |
| CH19 | Methoxyphlorizinb | 14.95 | 449.1431 | C 22 H 25 O 10 | 165.0545(58.76%), 150.0312(100%) | -3.718 | 0.007 | Flavonoid | [51] |
| CH20 | sinapic acida | 15.37 | 223.0598 | C 11 H 11 O 5 | 166.0259(94.26%), 148.0152(53.25%), 120.0200(100%) | -3.811 | 0.004 | Coumaric acids | [52] |
| CH21 | Hydroxy-tetramethoxychalconeb | 16.28 | 343.1166 | C 19 H 19 O 6 | 328.0951(20.18%), 298.0841(67.51%), 283.0605(100%), 162.0317(63.58%), 313.0710(66.50%), 297.0771(28.30%), 327.0854(18.53%) | -4.418 | 0.003 | Flavonoid | [53] |
| CH22 | tanegool | 16.33 | 375.143 | C 20 H 23 O 7 | 327.1230(38.27%), 312.0989(87.49%), 279.0642(100%), 282.0888(53.48%), 267.0654(61.73%) | -3.679 | 0.132 | Lignan | Tentative |
| CH23 | Methoxyphlorizinb | 16.48 | 449.1431 | C 22 H 25 O 10 | 181.0488(100%), 166.0257(47.75%), 135.0442(39.55%) | -3.718 | 0.009 | Flavonoid | [51] |
| CH24 | specioside | 16.5 | 507.1515 | C 24 H 27 O 12 | 359.0775(14.47%), 323.0762(35.43%), 197.0437(9.12%), 179.0349(31.26%), 161.0231(100%) | 2.445 | 0.004 | Iridoid glycoside | Tentative |
| CH25 | Taxiresinolc | 16.89 | 345.1336 | C 19 H 21 O 6 | 267.0654(100%), 109.0286(36.30%) | -0.637 | 0.003 | Lignan | [54] |
| CH26 | ferulic acida | 16.95 | 193.0498 | C 10 H 9 O 4 | 136.0158(36.60%), 108.0200(48.20%), 133.0286(20.05%), 107.0129(100%) | -1.450 | 0.011 | Coumaric acids | [42] |
| CH27 | methyl homovanillate | 17.03 | 195.0651 | C 10 H 11 O 4 | 150.0312(100%), 121.0282(55.11%) | -3.230 | 0.009 | Phenolic ester | [50] |
| CH28 | calceolarioside A | 17.74 | 477.1382 | C 23 H 25 O 11 | 179.0332(34.94%), 161.0232(100%), 133.0280(15.77%), 135.0448(10.38%) | -3.123 | 0.013 | Phenolic glycoside | [55] |
| CH29 | hesperetin dihydrochalcone-o-glucosideb | 17.83 | 465.1381 | C 22 H 25 O 11 | 223.0594(35.16%), 165.0541(100%), 150.0309(55.17%), 181.0489(27.82%), 208.0372(40.81%) | -3.418 | 0.003 | Flavonoid glycoside | [56] |
| CH30 | Salvianolic acid Bb | 18.02 | 717.1434 | C 36 H 29 O 16 | 519.0912(24.42%), 475.1030(100%), 353.0650(25.84%), 365.0648(36.35%), 339.0503(53.31%), 321.0425(4.65%), 295.0613(5.69%), 243.0277(13.73%), 229.0124(4.50%), 197.0449(11.50%), 109.0280(4.65%) | -3.026 | 0.028 | Phenolic glycoside | [57] |
| CH31 | fisetin trimethyl etherb | 18.57 | 327.0863 | C 18 H 15 O 6 | 297.0403(37.98%), 253.0508(29.17%), 189.0181(64.95%), 176.0122(43.67%), 162.0319(42.94%), 108.0201(48.81%), 149.0233(26.24%) | -1.712 | 0.022 | Flavonoid | [58] |
| CH32 | ferulic acida | 18.66 | 193.0494 | C 10 H 9 O 4 | 161.0230(11.17%), 133.0283(100%), 115.0180(0.90%), 105.0332(2.21%) | -3.522 | 0.095 | coumaric acids | [42] |
| CH33 | Salviaflasidea | 19.43 | 521.1282 | C 24 H 25 O 13 | 359.0757(6.71%), 341.0861(3.34%), 323.0757(45.39%), 197.0443(21.38%), 179.0337(28.43%), 161.0232(100%), 160.0154(0.84%), 133.0282(3.60%), 135.0439(11.28%), 117.0334(0.56%), 123.0440(0.97%) | -2.533 | 1.513 | Phenolic glycoside | [42] |
| CH34 | calceolarioside A | 19.46 | 477.1377 | C 23 H 25 O 11 | 221.0438(3.17%), 179.0346(5.10%), 161.0234(100%), 133.0284(16.15%), 135.0441(11.29%) | -4.171 | 0.007 | Phenolic glycoside | [55] |
| CH35 | caffeic acid 3-glucosidea | 19.46 | 341.0866 | C 15 H 17 O 9 | 179.0345(40.83%), 135.0439(100%), 107.0496(6.13%) | -1.935 | 0.006 | Phenolic glycoside | [42] |
| CH36 | Trimethoxyflavoneb | 19.63 | 311.0913 | C 18 H 15 O 5 | 296.0685(37.43%), 251.0708(18.82%), 175.0390(22.82%) | -2.089 | 0.003 | Flavonoid | [59] |
| CH37 | dihydrodehydroconiferyl alcohol 9-o-glucoside | 19.74 | 521.2027 | C 26 H 33 O 11 | 341.1375(100%), 311.1285(25.04%), 119.0338(56.65%) | 0.787 | 0.026 | Lignan glycoside | [60] |
| CH38 | Simplexoside | 19.77 | 517.1714 | C 26 H 29 O 11 | 337.1077(100%), 322.0818(64.84%), 325.1054(92.24%) | 0.793 | 0.002 | Phenolic glycoside | Tentative |
| CH39 | okanin tetramethyl etherb | 20.24 | 343.1167 | C 19 H 19 O 6 | 283.0610(22.22%), 151.0386(43.68%), 136.0153(100%) | -4.255 | 0.02 | Flavonoid | [53] |
| CH40 | rosmarinic acida | 21.33 | 359.0754 | C 18 H 15 O 8 | 197.0441(7.26%), 179.0334(23.37%), 161.0235(100%), 133.0279(40.86%), 135.0442(31.37%), 123.0453(11.21%) | -3.620 | 1.303 | Coumaric acids | [42] |
| CH41 | Salvianolic acid Bb | 21.35 | 717.1443 | C 36 H 29 O 16 | 359.0754(48.91%), 313.0724(9.30%), 197.0440(21.42%), 179.0351(12.72%), 135.0439(7.37%), 177.0175(11.59%), 161.0228(100%), 151.0400(8.41%), 133.0302(7.45%) | -1.813 | 0.01 | Phenolic glycoside | [57] |
| CH42 | Populin | 21.55 | 389.1236 | C 20 H 21 O 8 | 167.0334(100%), 123.0441(68.81%), 108.0202(18.87%) | -0.128 | 0.035 | Phenolic glycoside | Tentative |
| CH43 | arctignan A | 22.23 | 553.2101 | C 30 H 33 O 10 | 505.1823(47.85%), 487.1747(34.04%), 475.1739(69.28%), 151.0388(100%) | 4.935 | 0.011 | Lignan | Tentative |
| CH44 | naringenin dimethyl ethera | 22.35 | 299.0921 | C 17 H 15 O 5 | 300.0626(100%), 269.0449(37.81%) | 0.502 | 0.028 | Flavonoid | [52] |
| CH45 | phillygenin | 22.39 | 371.1506 | C 21 H 23 O 6 | 165.0556(80.86%), 150.0320(100%) | 3.045 | 0.004 | Lignan | Tentative |
| CH46 | imperanene | 22.48 | 329.1404 | C 19 H 21 O 5 | 177.0544(87.75%), 193.0493(77.10%), 178.0258(100%), 150.0311(58.34%) | 4.557 | 0.04 | Flavonoid | Tentative |
| CH47 | Lariciresinolb | 22.77 | 359.1512 | C 20 H 23 O 6 | 193.0494(100%), 178.0258(86.15%), 150.0311(43.05%), 177.0543(64.60%) | 4.817 | 0.008 | Lignan | [61] |
| CH48 | Narirutinb | 22.79 | 579.171 | C 27 H 31 O 14 | 353.1012(100%), 338.0775(43.53%), 322.0826(15.23%) | -0.656 | 0.004 | Flavonoid glycoside | [62] |
| CH49 | dehydrodiconiferyl alcohol | 22.81 | 339.1219 | C 20 H 19 O 5 | 309.0753(100%), 281.0807(48.86%), 263.0703(24.21%) | -3.981 | 0.05 | Lignan | [60] |
| CH50 | Simplexoside | 23.01 | 517.1729 | C 26 H 29 O 11 | 337.1070(100%), 322.0838(66.81%), 306.0877(34.86%) | 3.693 | 0.107 | Phenolic glycoside | Tentative |
| CH51 | terphenyllin | 23.25 | 337.1068 | C 20 H 17 O 5 | 307.0592(97.60%), 279.0660(100%), 251.0695(12.13%), 291.0635(29.29%), 235.0751(16.53%) | -2.373 | 0.007 | Lignan | [63] |
| CH52 | Luteolin rutinosidea | 23.36 | 593.1515 | C 27 H 29 O 15 | 285.0387(100%), 284.0310(39.95%), 165.0555(88.04%) | 1.433 | 0.003 | Flavonoid | [42] |
| CH53 | Phenylapigenina | 23.82 | 337.1061 | C 20 H 17 O 5 | 219.0801(59.49%), 141.0696(100%) | -4.450 | 0.022 | Flavonoid | [42] |
| CH54 | Lyoniresinolc | 24.02 | 419.1688 | C 22 H 27 O 8 | 237.0766(19.53%), 181.0858(82.97%), 166.0621(100%), 222.0518(30.80%), 192.0419(16.19%), 164.0465(7.77%) | -4.270 | 0.004 | Lignan | [64] |
| CH55 | dihydroxy-trimethoxychalconeb | 24.13 | 329.1027 | C 18 H 17 O 6 | 254.0575(5.33%), 253.0506(6.25%), 149.0594(35.18%), 134.0365(100%), 226.0632(3.35%), 160.0150(19.71%), 148.0152(13.81%), 210.0694(3.89%) | 0.547 | 0.009 | Chalcone | [58] |
| CH56 | clinopodic acid Ac | 24.29 | 343.0805 | C 18 H 15 O 7 | 179.0342(21.47%), 135.0437(100%), 117.0335(38.02%), 109.0286(3.85%), 145.0282(55.13%), 123.0435(20.36%) | -3.731 | 0.011 | Phenolic acid | [65] |
| CH57 | vaccinoside | 24.4 | 535.1437 | C 25 H 27 O 13 | 373.0908(42.13%), 179.0339(100%), 135.0439(35.68%) | -2.747 | 0.033 | Phenolic glycoside | Tentative |
| CH58 | acetyl rhein | 25.12 | 325.0339 | C 17 H 9 O 7 | 281.0469(100%), 237.0570(66.67%) | -2.861 | 0.105 | Anthraquinone | [66] |
| CH59 | coniferyl ferulate | 25.26 | 355.1172 | C 20 H 19 O 6 | 190.0622(45.64%), 175.0387(100%), 307.0597(40.15%), 295.0595(45.79%), 176.0467(64.00%) | -2.731 | 0.284 | Phenolic ester | [67] |
| CH60 | di-o-sinapoyl glucosea | 25.26 | 591.1691 | C 28 H 31 O 14 | 299.0899(58.64%), 223.0600(100%), 205.0492(52.71%) | -3.857 | 0.017 | Phenolic glycoside | [52] |
| CH61 | clinopodic acid Bb | 25.28 | 373.0911 | C 19 H 17 O 8 | 175.0387(75%), 160.0153(48.78%), 179.0338(27.34%), 135.0439(100%) | -3.350 | 0.063 | Phenolic acid | [68] |
| CH62 | catechin-o-gallatea | 25.3 | 441.0829 | C 22 H 17 O 10 | 193.0506(7.65%), 135.0437(100%), 178.0269(7.54%) | 1.632 | 0.006 | Flavonoid | [47] |
| CH63 | Fisetin trimethyl etherb | 25.76 | 327.0856 | C 18 H 15 O 6 | 311.0558(75.91%), 283.0597(95.88%), 269.0449(100%), 253.0491(84.63%) | -3.852 | 0.004 | Flavonoid | [58] |
| CH64 | Hydroxy dimethoxychalconeb | 26.03 | 283.0980 | C 17 H 15 O 4 | 314.0775(100%), 283.0590(56.63%), 151.0022(89.72%), 135.0075(58.38%), 107.0126(34.77%), 123.0080(49.27%) | 3.532 | 0.003 | Flavonoid | [53] |
| CH65 | Simplexoside | 26.07 | 517.1718 | C 26 H 29 O 11 | 355.1167(100%), 340.0931(16.72%) | 1.566 | 0.013 | Lignan glycoside | Tentative |
| CH66 | kievitone | 26.22 | 355.1171 | C 20 H 19 O 6 | 311.1261(75.64%), 147.0809(33.08%), 149.0591(58.97%), 135.0435(57.95%), 109.0281(100%), 133.0286(91.79%), 108.0210(49.10%) | -3.013 | 0.036 | Flavonoid | Tentative |
| CH67 | Hydroxy pentamethoxyflavoneb | 29 | 387.1073 | C 20 H 19 O 8 | 312.0633(45.71%), 297.0396(100%), 268.0723(59.29%), 253.0486(53.39%), 256.0727(43.93%), 241.0496(37.68%) | -1.808 | 0.004 | Flavonoid | [69] |
| CH68 | 3-hydroxy-4”-methoxy-6-methylflavone | 29 | 281.0824 | C 17 H 13 O 4 | 297.0388(75.79%), 269.0441(45.59%), 253.0499(73.75%), 225.0551(100%), 197.0589(20.72%) | 3.593 | 0.003 | Flavonoid | Tentative |
| CH69 | Jaceosidina | 32.19 | 329.0655 | C 17 H 13 O 7 | 313.0334(331.73%), 299.0182(100%), 271.0237(13.90%) | -1.915 | 0.023 | Flavonoid | [42] |
| CH70 | Gingerol | 39.34 | 293.1743 | C 17 H 25 O 4 | 221.1533(100%), 236.1044(9.07%), 193.1603(1.69%) | -3.377 | 0.044 | Phenolic | Tentative |
| CH71 | kaempferol tetraacetatea | 39.42 | 453.0821 | C 23 H 17 O 10 | 305.0828(100%), 281.0450(94.95%) | -0.177 | 0.013 | Flavonoid | [42] |
| CH72 | rotundic acidc | 40.2 | 501.3197 | C 30 H 45 O 6 | 471.3097(7.73%), 439.3214(0.76%), 409.3084(5.74%) | -3.830 | 0.013 | Triterpenoid | [70] |
| CH73 | sucrose-laurate | 43.62 | 523.2752 | C 24 H 43 O 12 | 326.2438(25.15%), 295.2251(100%), 224.1760(41.12%) | -0.478 | 0.006 | Acylated disaccharide | Tentative |
| CH74 | rotundic acidc | 45.54 | 487.3405 | C 30 H 47 O 5 | 469.3309(10.07%), 437.3036(1.68%), 393.3140(2.39%), 443.3526(0.88%) | -3.796 | 0.051 | Triterpenoid | [70] |
| CH75 | asiatic acidb | 45.96 | 487.3407 | C 30 H 47 O 5 | 469.3279(0.53%), 409.3107(1.42%) | -3.386 | 0.036 | Triterpenoid | [71] |
areported in Salvia hispanica
breported in Salvia
creported in Lamiaceae