Journal of Analytical Methods in Chemistry / 2014 / Article / Tab 1 / Research Article
A Metabolomic Strategy to Screen the Prototype Components and Metabolites of Shuang-Huang-Lian Injection in Human Serum by Ultra Performance Liquid Chromatography Coupled with Quadrupole Time-of-Flight Mass Spectrometry Table 1 UPLC-Q-TOF/MS identification of the constituents in SHLI .
NO.
(min)Positive ion MS Negative ion MS Formula Identification Positive ion Negative ion Class 1 0.88 193.0722 191.0557 C7 H12 O6 Quinic acid 112.0521 127.0400 Quinic acid 2 3.77 355.1033 353.0873 C16 H18 O9 Chlorogenic acid 163.0395 191.0549 Quinic acid 3 3.87 — 375.1287 C16 H24 O10 Isomer of loganic acid — 213.0765 Iridoid 4 3.90 623.2080 — C29 H34 O15 Isomer of suspensaside A 191.0568 461.1674 Phenylethanoid glycoside 5 3.97 — 461.1659 C20 H30 O12 Forsythoside E — 315.1076 Phenylethanoid glycoside 6 4.20 — 375.1287 C16 H24 O10 Loganic acid — 213.0778 Iridoid 7 4.24 355.1023 353.0866 C16 H18 O9 3-O-Caffeoylquinic acid 163.0393 191.0569 Quinic acid 8 4.29 — 353.0873 C16 H18 O9 4-O-Caffeoylquinic acid — 173.0450 Quinic acid 9 4.35 — 639.1925 C29 H36 O16 Suspensaside — 621.1841 Phenylethanoid glycoside 10 4.43 375.1288 373.1129 C16 H22 O10 Secologanic acid 213.0749 193.0494 Iridoid 11 4.45 391.1255 389.1074 C16 H22 O11 Monotropein 211.0586 209.0455 Iridoid 12 4.58 — 639.1918 C29 H36 O16 Isomer of suspensaside — 445.1318 Phenylethanoid glycoside 13 4.72 — 403.1239 C17 H24 O11 Isomer of secoxyloganin — 241.1177 Iridoid 14 4.73 359.1348 — C16 H22 O9 Sweroside 197.0812 — Iridoid 15 4.80 625.2124 623.1982 C29 H36 O15 Acteoside 471.1504 461.1671 Phenylethanoid glycoside 16 4.89 — 755.2399 C34 H44 O19 Forsythoside B — 593.2103 Phenylethanoid glycoside 17 4.93 623.1986 621.1816 C29 H34 O15 Suspensaside A 191.0571 487.1371 Phenylethanoid glycoside 18 5.03 625.2133 623.1970 C29 H36 O15 Forsythoside A 471.1512 461.1671 Phenylethanoid glycoside 19 5.06 405.1387 403.1236 C17 H24 O11 Secoxyloganin 243.0880 371.0979 Iridoid 20 5.09 — 515.1174 C25 H24 O12 3,4-Dicaffeoylquinic — 353.0906 Quinic acid 21 5.13 — 515.1174 C25 H24 O12 3,5-Dicaffeoylquinic — 353.0906 Quinic acid 22 5.21 — 519.1863 C26 H32 O11 Pinoresinol 4-O-glucoside — 357.1336 Lignan 23 5.30 463.0876 461.0730 C21 H18 O12 Luteolin 7-galacturonide 287.0552 285.0399 Flavonoid 24 5.32 — 447.0927 C21 H20 O11 5,6-Dihydroxy flavanone-7-O-glucuronide — 285.0399 Flavonoid 25 5.35 — 621.1788 C29 H34 O15 Suspensaside A — 487.1510 Phenylethanoid glycoside 26 5.37 611.1599 609.1453 C27 H30 O16 Rutin 465.1016 300.0253 Flavonoid 27 5.38 517.1344 515.1186 C25 H24 O12 4,5-Dicaffeoylquinic 499.1206 353.0866 Quinic acid 28 5.54 — 757.2550 C34 H46 O19 Centauroside — 525.1569 Iridoid 29 5.78 — 533.2020 C27 H34 O11 Phillyrin — 371.1484 Lignan 30 5.88 447.0925 445.0771 C21 H18 O11 Baicalin 271.0603 269.0455 Flavonoid 31 6.01 477.1027 475.0876 C22 H19 O12 5,2′-Dihydroxy-6′-methoxyflavone-7-O-glucuronide 301.0713 443.0556 Flavonoid 32 6.17 431.0978 429.0815 C21 H18 O10 Chrysin 7-glucuronide 255.0658 253.0505 Flavonoid 33 6.23 461.1079 459.0927 C22 H20 O11 Wogonoside 285.0767 283.0611 Flavonoid 34 6.38 — 445.0779 C21 H18 O11 Norwogonin-7-O-glucuronide — 269.0422 Flavonoid 35 6.81 271.0608 269.0446 C15 H10 O5 Baicalein 271.0623 251.0362 Flavonoid 36 7.26 285.0761 283.0602 C16 H12 O5 Wogonin 270.0489 268.0377 Flavonoid 37 7.35 255.0654 — C15 H10 O4 Chrysin 153.0173 — Flavonoid 38 7.40 285.0762 283.0601 C16 H12 O5 Isomer of wogonin 270.0489 268.0409 Flavonoid
