Table 2.
The common chemical components identified with names and formulas in all three SHL preparation forms
| No | Formula | Name | tR (min) | Observed mass | Database mass | Precursor ion, m/z | MS/MS quantifier, m/z | MS/MS qualifier, m/z |
|---|---|---|---|---|---|---|---|---|
| 1 | C21H20O13 | Tagetiin | 1.71 | 480.0895 | 480.0916 | 479.0815, [M−H]− | 315.0344 | 139.0030 |
| 2 | C28H16O5 | Naphthofluorescein | 4.61 | 432.1022 | 432.1031 | 431.0940, [M−H]− | 268.0365 | 239.0332 |
| 3 | C21H26N4O8 | Trp-Glu-Glu | 7.88 | 462.1731 | 462.1751 | 485.1633, [M+Na]+ | 339.1063 | 213.0327 |
| 4 | C9H6O3 | Umbelliferone | 8.15 | 162.0316 | 162.0316 | 163.0388, [M+H]+ | 63.0232 | 89.0393 |
| 5 | C16H18O9 | Chlorogenic acida | 8.15 | 354.0950 | 354.0951 | 355.1023, [M+H]+ | 89.0391 | 163.0388 |
| 6 | C10H10O4 | Methyl caffeate | 9.75 | 194.0579 | 194.0582 | 195.0652, [M+H]+ | 77.0387 | 95.0491 |
| 7 | C10H12O5 | Danielone | 9.75 | 212.0683 | 212.0682 | 213.0755, [M+H]+ | 107.0491 | 151.0391 |
| 8 | C8H6O3 | Piperonal | 9.76 | 150.0318 | 150.0319 | 151.0391, [M+H]+ | 51.0228 | 77.0383 |
| 9 | C16H22O10 | Geniposidic acid | 9.76 | 374.1211 | 374.1213 | 397.1106, [M+Na]+ | 235.0573 | 255.0855 |
| 10 | C16H18O8 | p-Coumaroyl quinic acid | 10.48 | 338.1003 | 338.1002 | 339.1078, [M+H]+ | 91.0544 | 147.0435 |
| 11 | C16H22O9 | Tarennoside | 11.72 | 358.1264 | 358.1264 | 359.1337, [M+H]+ | 197.0811 | 127.0390 |
| 12 | C15H26N6O6 | Asp-Arg-Pro | 11.72 | 386.1912 | 386.1916 | 385.1831, [M−H]− | 153.0919 | 59.0145 |
| 13 | C16H28N6O8 | Arg-Glu-Glu | 11.72 | 432.1969 | 432.1960 | 431.1894, [M−H]− | 269.0449 | 387.0756 |
| 14 | C10H12O4 | Paeonilactone B | 11.78 | 196.0736 | 196.0732 | 197.0808, [M+H]+ | 127.0386 | 53.0386 |
| 15 | C20H27N5O6 | Thr-Gln-Trp | 15.15 | 433.1945 | 433.1943 | 434.2017, [M+H]+ | 85.0283 | 145.0490 |
| 16 | C20H24N4O6 | Pro-Trp-Asp | 15.15 | 416.1680 | 416.1696 | 434.2017, [M+NH4]+ | 295.1026 | 285.1343 |
| 17 | C15H21N5O8 | Asp-Glu-His | 16.34 | 399.1396 | 399.1390 | 417.1734, [M+NH4]+ | 285.1301 | 85.0284 |
| 18 | C16H18N6O4 | 2-Phenylaminoadenosine | 16.50 | 358.1394 | 358.1387 | 357.1315, [M−H]− | 151.0398 | 136.0177 |
| 19 | C27H30O16 | Rutin | 17.73 | 610.1536 | 610.1537 | 611.1611, [M+H]+ | 303.0497 | 465.1027 |
| 20 | C21H18O12 | Luteolin 3′-glucuronide | 18.13 | 462.0814 | 462.0797 | 463.0872, [M+H]+ | 287.0550 | 123.0080 |
| 21 | C21H20O11 | Luteolin-7-O-glucosidea | 19.30 | 448.1007 | 448.1006 | 449.1080, [M+H]+ | 287.0548 | 153.0178 |
| 22 | C21H26O12 | Plumieride | 21.08 | 470.1424 | 470.1423 | 471.1499, [M+H]+ | 163.0387 | 325.0912 |
| 23 | C29H36O15 | Forsythoside Aa | 21.08 | 624.2046 | 624.2054 | 642.2394, [M+NH4]+ | 471.1486 | 163.0385 |
| 24 | C13H28N6O8 | Zwittermicin A | 22.64 | 396.1975 | 396.1979 | 395.1906, [M−H]− | 263.1487 | 101.0251 |
| 25 | C20H20O5 | Morachalcone A | 23.24 | 340.1309 | 340.1313 | 341.1384, [M+H]+ | 137.0592 | 291.1008 |
| 26 | C26H32O11 | Brusatol | 23.24 | 520.1943 | 520.1945 | 538.2284, [M+NH4]+ | 235.0961 | 175.0754 |
| 27 | C27H30O14 | Isofurcatain 7-O-glucoside | 25.01 | 578.1637 | 578.1637 | 579.1708, [M+H]+ | 271.0600 | 433.1131 |
| 28 | C25H24O12 | Apigenin 7-(3″,4″-diacetylglucoside) | 25.96 | 516.1268 | 516.1269 | 517.1342, [M+H]+ | 163.0394 | 337.0914 |
| 29 | C21H20O10 | Isovitexin | 29.87 | 432.1059 | 432.1058 | 433.1135, [M+H]+ | 271.0608 | 123.0080 |
| 30 | C27H34O11 | Undulatone | 30.67 | 534.2073 | 534.2065 | 533.2000, [M−H]− | 371.1487 | 356.1261 |
| 31 | C21H18O11 | Baicalina | 32.01 | 446.0846 | 446.0849 | 447.0918, [M+H]+ | 271.0602 | 123.0079 |
| 32 | C27H34O11 | Forsythina | 32.31 | 534.2097 | 534.2101 | 552.2445, [M+NH4]+ | 355.1527 | 189.0910 |
| 33 | C22H20O12 | Hispidulin 7-glucuronide | 33.08 | 476.0957 | 476.0957 | 477.1030, [M+H]+ | 301.0706 | 286.0474 |
| 34 | C21H18O10 | Chrysin 7-glucuronide | 33.44 | 430.0901 | 430.0902 | 431.0974, [M+H]+ | 255.0660 | 153.0179 |
| 35 | C22H20O11 | Wogonin 7-glucuronide | 33.69 | 460.1007 | 460.1008 | 461.1080, [M+H]+ | 285.0756 | 270.0522 |
| 36 | C21H18O11 | Apigenin 7-glucuronide | 34.37 | 446.0845 | 446.0845 | 447.0918, [M+H]+ | 271.0597 | 73.0286 |
| 37 | C16H12O6 | Kaempferide | 36.46 | 300.0638 | 300.0629 | 301.0710, [M+H]+ | 286.0462 | 184.0002 |
| 38 | C15H10O5 | Baicalein | 36.68 | 270.0531 | 270.0530 | 271.0604, [M+H]+ | 123.0085 | 68.9975 |
| 39 | C21H24O6 | Kadsurin A | 37.82 | 372.1575 | 372.1573 | 390.1916, [M+NH4]+ | 137.0600 | 355.1549 |
| 40 | C16H12O5 | Wogonin | 39.51 | 284.0686 | 284.0674 | 285.0758, [M+H]+ | 270.0536 | 77.0387 |
| 41 | C17H14O6 | 5,3′-Dihydroxy-7,4′-dimethoxy-4-phenylcoumarin | 39.88 | 314.0791 | 314.0792 | 315.0863, [M+H]+ | 71.0129 | 285.0407 |
| 42 | C19H18O8 | Skullcapflavone II | 40.19 | 374.1001 | 374.0999 | 375.1075, [M+H]+ | 345.0596 | 197.0086 |
| 43 | C15H22O2 | Eremophilenolide | 45.47 | 234.1622 | 234.1623 | 235.1696, [M+H]+ | 57.0704 | 180.1141 |
| 44 | C24H50NO7P | PE (19:0/0:0) | 46.58 | 495.3325 | 495.3329 | 496.3399, [M+H]+ | 184.0732 | 104.1073 |
| 45 | C19H38O4 | 1-Monopalmitin | 50.89 | 330.2774 | 330.2769 | 331.2846, [M+H]+ | 67.0538 | 57.0694 |
| 46 | C51H84O15 | 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(galactosyl-alpha-1-6-galactosyl-beta-1)-glycerol | 51.06 | 936.5809 | 936.5810 | 954.6148, [M+NH4]+ | 614.4875 | 335.2578 |
| 47 | C45H74O10 | 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-Beta-d-galactosyl-sn-glycerol | 51.30 | 774.5282 | 774.5282 | 792.5616, [M+NH4]+ | 614.4787 | 336.2604 |
aQ markers