Journal of Analytical Methods in Chemistry / 2018 / Article / Tab 3 / Research Article
Screening and Characterizing Tyrosinase Inhibitors from Salvia miltiorrhiza and Carthamus tinctorius by Spectrum-Effect Relationship Analysis and Molecular Docking Table 3 HPLC-MS/MS data of 17 predicted active compounds from DH herbal pair.
Peak No. t R (min)MW MS1 (m/z ) MS2 (m/z ) Formula Structural identification 1 3.087 138 138.05 92; 78; 65 C7 H6 O3 Protocatechuic aldehyde 8 3.112 198 197.05 178 C9 H10 O5 Danshensu 13 6.491 165 166.09 120 C9 H11 NO2 Phenylalanine 15 7.108 — — — — Unknown 20 7.952 294 295.15 277; 249 C19 H18 O3 Tanshinone IIA 22 8.951 180 179.10 135 C9 H8 O4 Caffeic acid 27 11.207 — — — — Unknown 29 12.386 788 787.40 625; 505; 463; 301 C33 H40 O22 6-Hydroxykaempferol-3,6,7-O -β -D-glucoside 31 12.771 612 611.30 491; 473; 403; 353; 325; 283; 205 C27 H32 O16 Hydroxysafflor yellow A 36 14.094 640 639.30 463; 362; 300; 255; 139 — Unknown 40 17.091 772 773.35 695; 672; 303; 187; 112 C33 H40 O21 6-Hydroxykaempferol 3-O -rutinoside-6-O -glucoside 44 21.352 — — — — Unknown 46 23.969 1044 1043.45 1025; 923; 863; 764; 593; 449 C48 H52 O26 Anhydrosafflor yellow B 54 29.882 360 359.25 179; 161; 133 C18 H16 O8 Rosmarinic acid 55 31.813 538 537.25 295; 253; 203 C27 H22 O12 Lithospermic acid 64 32.528 494 493.25 295 C26 H22 O10 Salvianolic acid A 74 36.747 718 717.35 673; 617; 519; 321 — Salvianolic acid E