Table 1.
Bile acids identified by UPLC-QTOF-MS in negative ion mode.
| NO. | RT (min) | Molecular Formula | MW | Error (ppm) | Identified Compound | Fragment Ion |
|---|---|---|---|---|---|---|
| 1 | 8.797 | C26H45NO7S | 515.29113 | 5.3 | Taurocholic acid | 514.2844[M-H]− |
| 2 | 10.504 | C26H43NO6 | 465.30849 | 2.7 | Glycocholic acid | 464.3030[M-H]− 446.2935[M-H-H2O]− 420.3130[M-H-CO2]− 402.3013[M-H-H2CO3]− |
| 3 | 10.962 | C26H45NO6S | 499.29621 | 4 | Tauroursodeoxycholic acid/Taurochenodeoxycholic acid/Taurodeoxycholic acid/Taurohyodeoxycholic acid | 498.2915[M-H]− |
| 4 | 12.133 | C24H40O5 | 408.28703 | −0.5 | Cholic acid | 407.2801[M-H]− 389.2695[M-H-H2O]− 345.2795[M-H-H2CO3]− |
| 5 | 12.312 | C26H43NO5 | 449.31358 | 4.8 | Glycoursodeoxycholic acid/Glycodeoxycholic acid/Glycohyodeoxycholic acid/Glycochenodeoxycholic acid | 448.3090[M-H]− 404.3194[M-H-CO2]− 386.3077[M-H-H2CO3]− |
| 6 | 14.808 | C24H40O4 | 392.29211 | −1 | Deoxycholic acid/Ursodeoxycholic acid/Chenodeoxycholic acid/Hyodeoxycholic Acid | 391.2850[M-H]− 347.2952[M-HMCO2]− 327.2699[M-H-H2CO3]− |