ID | Compound | LC/TOF-MSE Data | Molecular Mass | Molecular Formula | ||
---|---|---|---|---|---|---|
tR | [M−H]− (m/z) | Fragmentation profilea (m/z) | ||||
min | Da | |||||
1 | Protocatechuic aldehyde | 8.38 | 137.0241 | 109.0311, 108.0233a | 138.0317 | C7H6O3 |
2 | Protocatechuic acid | 7.11 | 153.0191 | 109.0295,a 108.0221 | 154.0266 | C7H6O4 |
3 | Caffeic acid | 11.30 | 179.0342 | 135.0451,a 134.0370 | 180.0423 | C9H8O4 |
4 | Ferulic acid | 14.12 | 193.0505 | 178.0258, 134.0370,a 133.0305 | 194.0579 | C10H10O4 |
5 | Isoferulic acid | 14.75 | 193.0506 | 178.0257, 134.0373,a 133.0292 | 194.0579 | C10H10O4 |
6 | Tanshinol | 6.63 | 197.0455 | 179.0346,a 135.0454, 123.0453 | 198.0528 | C9H10O5 |
7 | Salvianolic acid F | 11.01 | 313.0718 | 295.0621, 269.0818,a 203.0376,159.0446 | 314.0790 | C17H14O6 |
8 | Salvianolic acid G | 15.92 | 339.0502 | 311.0565, 295.0614,a 267.0659 | 340.0583 | C18H12O7 |
9 | Prolithospermic acid | 11.67 | 357.0606 | 313.0706, 203.0349,a 159.0458 | 358.0689 | C18H14O8 |
10 | Rosmarinic acid | 16.85 | 359.0765 | 197.0453, 179.0345, 161.0242a | 360.0845 | C18H16O8 |
11 | Salvianic acid C | 12.07 | 377.0869 | 359.0774, 197.0459,a 179.0352, 161.0237 | 378.0951 | C18H18O9 |
12 | Salvianic acid C isomer | 12.52 | 377.0862 | 359.0772, 197.0448,a 179.0355, 161.0244 | 378.0951 | C18H18O9 |
13 | Salvianolic acid D | 16.32 | 417.0827 | 373.0917, 197.0447, 179.0345, 175.0393a | 418.0900 | C20H18O10 |
14 | Isosalvianolic acid C | 19.50 | 491.0975 | 311.0563,a 293.0455, 249.0556 | 492.1056 | C26H20O10 |
15 | Salvianolic acid C | 21.27 | 491.0978 | 311.0559, 293.0455,a 267.0663 | 492.1056 | C26H20O10 |
16 | Salvianolic acid A | 18.51 | 493.1131 | 313.0716, 295.0611,a 185.0246 | 494.1213 | C26H22O10 |
17 | Salviaflaside | 15.79 | 521.1292 | 359.0773,a 197.0453, 161.0241 | 522.1373 | C24H26O13 |
18 | Lithospermic acid isomer | 13.48 | 537.1038 | 493.1134, 313.0721, 295.0607a | 538.1111 | C27H22O12 |
19 | Lithospermic acid isomer | 13.80 | 537.1030 | 493.1133, 313.0726, 295.0603,a 185.0249 | 538.1111 | C27H22O12 |
20 | Lithospermic acid isomer | 14.32 | 537.1039 | 493.1134, 313.0717, 295.0604,a 185.0244 | 538.1111 | C27H22O12 |
21 | Salvianolic acid H/I | 15.38 | 537.1031 | 339.0502,a 295.0617, 185.0243 | 538.1111 | C27H22O12 |
22 | Lithospermic acid | 16.78 | 537.1036 | 493.1141, 295.0607,a 185.0241 | 538.1111 | C27H22O12 |
23 | Salvianolic acid J | 17.97 | 537.1037 | 493.1142, 295.0609,a 185.0244 | 538.1111 | C27H22O12 |
24 | Salvianolic acid B isomer | 16.03 | 717.1461 | 519.0933,a 339.0511, 321.0408 | 718.1534 | C36H30O16 |
25 | Salvianolic acid B isomer | 16.36 | 717.1448 | 519.0932,a 339.0502, 321.0407 | 718.1534 | C36H30O16 |
26 | Salvianolic acid B | 17.41 | 717.1455 | 519.0935,a 339.0504, 321.0399 | 718.1534 | C36H30O16 |
27 | Salvianolic acid E | 18.18 | 717.1454 | 519.0938,a 339.0503, 321.0403 | 718.1534 | C36H30O16 |
28 | 4-Methoxyl salvianolic acid B | 18.38 | 731.1599 | 533.1101,a 353.0676, 335.0564 | 732.1690 | C37H32O16 |
tR, chromatographic retention time.
↵a Product ion of base peak.