Journal of Analytical Methods in Chemistry / 2014 / Article / Tab 2 / 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 2 The prototype components and metabolites in human serum after SHLI dosed in both positive and negative mode.
NO.
(min)Positive ion MS Negative ion MS Formula Identification Positive ion Negative ion Relegation 1 0.88 193.0722 191.0557 C7 H12 O6 Quinic acid 112.0521 127.0400 Prototype component 2 3.77 355.1033 353.0873 C16 H18 O9 Chlorogenic acid 163.0395 191.0549 Prototype component 3 3.87 — 375.1287 C16 H24 O10 Isomer of loganic acid — 213.0765 Prototype component 4 4.20 — 375.1287 Loganic acid — 213.0778 Prototype component 5 4.24 — 353.0873 C16 H18 O9 3-O-Caffeoylquinic acid — 191.0569 Prototype component 6 4.29 — 353.0873 C16 H18 O9 4-O-Caffeoylquinic acid — 173.0450 Prototype component 7 4.37 478.1365 — C22 H23 NO11 Isorhamnetin 7-glucosamine 316.0847 — Metabolite of flavonoids 8 4.42 — 475.1816 C21 H32 O12 Kanokoside A — 313.0276 Metabolite of iridoids 9 4.43 375.1288 373.1129 C16 H22 O10 Secologanic acid 213.0749 193.0494 Prototype component 10 4.45 — 389.1074 C16 H22 O11 Monotropein — 209.0455 Prototype component 11 4.57 — 369.0815 C16 H18 O10 Ferulic acid 4-O-glucuronide — 193.0490 Metabolite of quinic acids 12 4.72 — 403.1239 C17 H24 O11 Isomer of secoxyloganin — 241.1177 Prototype component 13 4.73 359.1348 — C16 H22 O9 Sweroside 197.0812 — Prototype component 14 5.03 — 731.1866 C31 H40 O18 S Methylated and sulfated forsythiaside — 651.2212 Metabolite of phenylethanoid glycosides 15 5.06 405.1387 403.1236 C17 H24 O11 Secoxyloganin 243.0880 371.0979 Prototype component 16 5.09 — 515.1174 C25 H24 O12 3,4-Dicaffeoylquinic — 353.0906 Prototype component 17 5.16 623.1266 621.1092 C27 H26 O17 Genistein 4′,7-O-diglucuronide 447.0916 445.0765 Metabolite of flavonoids 18 5.20 — 827.2600 C37 H48 O21 2-(3,4-Dihydroxyphenyl)ethyl6-deoxy-mannopyranosyl-glucopyranosyl-2-O-acetyl-4-O-[3-(3,4-dihydroxyphenyl)-2-propenoyl]-glucopyranoside — 520.1801 Metabolite of phenylethanoid glycosides 19 5.21 — 519.1863 C26 H32 O11 Pinoresinol 4-O-glucoside — 357.1336 Prototype component 20 5.47 623.1250 621.1088 C27 H26 O17 Baicalein 6,7-diglucuronide 447.0922 445.0774 Metabolite of flavonoids 21 5.54 609.1461 607.1299 C27 H28 O16 Luteolin 7-glucuronide-4′-rhamnoside 447.0919 431.0965 Metabolite of flavonoids 22 5.54 — 757.2550 C34 H46 O19 Centauroside — 525.1569 Prototype components 23 5.69 — 287.0234 C11 H12 O7 S 5′-(3′,4′-Dihydroxyphenyl)-gamma- — 207.0651 Metabolite of flavonoids 24 5.78 — 533.2020 C27 H34 O11 Phillyrin — 371.1484 Prototype component 25 5.88 447.0925 445.0771 C21 H18 O11 Baicalin 271.0603 269.0455 Prototype component 26 6.17 431.0969 429.0815 C21 H18 O10 Chrysin 7-glucuronide 255.0645 253.0505 Prototype component 27 6.23 461.1079 459.0927 C22 H20 O11 Wogonoside 285.0760 283.0611 Prototype component 28 6.38 — 445.0779 C21 H18 O11 Norwogonin-7-O-glucuronide — 269.0449 Prototype component 29 6.41 — 349.0014 C15 H10 O8 S Baicalein 7-sulfate — 269.0449 Metabolite of flavonoids 30 6.43 — 363.0174 C16 H12 O8 S Wogonin 7-sulfate — 283.0606 Metabolite of flavonoids 31 6.46 — 283.0607 C16 H12 O5 7,5-Dihydroxy-6-methoxyflavone — 268.0371 Metabolite of flavonoids 32 6.81 271.0608 269.0446 C15 H10 O5 Baicalein 271.0623 251.0362 Prototype component 33 7.26 285.0761 283.0602 C16 H12 O5 Wogonin 270.0489 268.0377 Prototype component 34 7.35 255.0654 — C15 H10 O4 Chrysin 153.0173 — Prototype component 35 7.41 285.0761 283.0601 C16 H12 O5 Wogonin 270.0502 268.0409 Prototype component
