Table S1.
Thirty peaks and (−)ESI-MS/MS spectrum assigned structures
| Peak | tR (min) | MS2 data | MS | λmax (nm) | Assigned ingredient |
|---|---|---|---|---|---|
| 1 | 10.1 | 346, 211 | 346.0524 | 258 | AMP |
| 2 | 10.6 | 362, 211 | 362.0459 | 258 | GMP |
| 3 | 12.2 | 344, 150 | 344.0376 | 255 | cGMP |
| 4 | 16.1 | 328, 134 | 328.0428 | 258 | cAMP |
| 5 | 17.5 | 282, 150 | 282.0831 | 256 | Guanosine |
| 6 | 24.1 | 311, 179, 149, 135, 113 | 311.0381 | 327, 218 | Monocaffeoyltartaric acid |
| 7 | 26.2 | 197, 179, 135 | 197.0439 | 280 | Danshensu |
| 8 | 29.3 | 491, 329, 293, 197, 179, 135 | 491.0799 | 315 | Caffeoyl–dihydroxyphenyllactoyltartaric acid |
| 9 | 32.5 | 649, 469, 353, 295, 163, 149 | 649.1392 | 273 | Chlorogenic acid–p-hydroxycinnamic acid–tartaric acid |
| 10 | 37.6 | 325, 193, 131,113 | 325.0538 | 270 | Fertaric acid |
| 11 | 45.5 | 353, 191, 179, 173, 161, 155, 135 | 353.0845 | 327, 291 | Chlorogenic acid |
| 12 | 50.7 | 295, 179, 133, 115 | 295.0426 | 327 | Caffeoylmalic acid |
| 13 | 52.1 | 473, 311, 293, 179 | 473.0752 | 149, 113 | Dicaffeoyltartaric acid |
| 14 | 53.8 | 671, 539, 359, 179, 149 | 671.1232 | 274, 328 | Rosmarinic acid–danshensu–tartaric acid |
| 15 | 57.1 | 571, 527, 483, 439, 329, 285, 241, 197 | 571.1111 | 276, 325 | Yuannaneic acid E |
| 16 | 60.5 | 537, 493, 357, 313, 295, 197, 179, 161, 135 | 537.1030 | 276, 330 | Lithospermic acid |
| 17 | 62.9 | 179, 135 | 179.0344 | 328 | Caffeic acid |
| 18 | 64.5 | 457, 311, 295, 293, 277, 179, 163, 149 | 457.0787 | 315, 291 | Monocaffeoyl–p-hydroxycinnamoyl–tartaric acid |
| 19 | 65.6 | 539, 521, 495, 477, 359, 341, 315, 297, 197 | 539.1026 | 277 | Hydrolithospermic acid |
| 20 | 67.0 | 527, 483, 439, 329, 303, 285, 241, 197 | 527.1003 | 283, 330 | Danshensu–acetyl |
| 21 | 69.5 | 487, 325, 307, 293, 219, 193, 179, 135 | 487.0911 | 277, 327 | Caffeoyl feruloyl |
| 22 | 69.9 | 751, 707, 663, 533, 509, 465, 329, 311, 285, 267, 197 | 751.1341 | 277, 320 | Caffeic acid–danshensu–quinic acid–tartaric acid–malonic acid |
| 23 | 71.4 | 735, 717, 519, 539, 339, 197, 179 | 735.1573 | 268, 336 | Hydrasalvianolic acid B |
| 24 | 75.5 | 719, 539, 519, 475, 359, 197 | 719.1615 | 277, 330 | Bi-danshensu rosmarinic acid |
| 25 | 78.0 | 717, 519, 475, 359, 339, 197 | 717.1493 | 256, 283, 346 | Salvianolic acid B |
| 26 | 85.0 | 359, 197, 179, 161, 135 | 359.0778 | 289, 331 | Rosmarinic acid (20.34% in whole extract, calculated from HPLC analysis, 254 nm) |
| 27 | 95.5 | 363, 345, 327, 309, 297, 281 | 363.1797 | 240 | Oridonin |
| 28 | 98.4 | 361, 343, 325, 299, 271 | 361.1630 | 280 | Ponicidin |
| 29 | 99.2 | 407, 347, 329, 311 | 407.2069 | 236 | Lasiokaurinol |
| 30 | 115.2 | 347, 329, 311, 299, 285 | 347.1855 | 238 | Effusanin A |
Abbreviations: HPLC, high-performance liquid chromatography; min, minutes; (−)ESI-MS/MS, (−)electrospray ionization-tandem mass spectrometry; tR, time of retention; MS2, tandem mass spectrometry; MS, mass spectrometry.