Table 2 Chemical characteristics of BAs and IS, retention time and R2 with the applied method.
Bile acids | Formula | MW | [M –H]− | IS | Rt (min) | R2 |
|---|---|---|---|---|---|---|
Unconjugated | ||||||
CA | C24H40O5 | 408.3 | 407.28 | GCDCA-D4 | 4.86 | 0.9980 |
α-MCA | C24H40O5 | 408.3 | 407.28 | GCDCA-D4 | 3.13 | 0.9931 |
β-MCA | C24H40O5 | 408.3 | 407.28 | GCDCA-D4 | 3.46 | 0.9977 |
ω-MCA | C24H40O5 | 408.3 | 407.28 | GCDCA-D4 | 2.88 | 0.9978 |
CDCA | C24H40O4 | 392.3 | 391.28 | DCA-D4 | 8.50 | 0.9997 |
DCA | C24H40O4 | 392.3 | 391.28 | DCA-D4 | 8.85 | 0.9999 |
HDCA | C24H40O4 | 392.3 | 391.28 | GCDCA-D4 | 5.50 | 0.9995 |
UDCA | C24H40O4 | 392.3 | 391.28 | GCDCA-D4 | 5.21 | 0.9994 |
LCA | C24H40O3 | 376.3 | 375.29 | LCA-D4 | 10.59 | 0.9955 |
Glycine-conjugated | ||||||
G-CA | C26H43NO6 | 465.7 | 464.3 | GCDCA-D4 | 3.03 | 0.9987 |
G-LCA | C26H43NO4 | 433.4 | 432.31 | DCA-D4 | 9.18 | 0.9986 |
G-CDCA | C26H43NO5 | 449.6 | 448.31 | GCDCA-D4 | 5.40 | 0.9955 |
G-DCA | C26H43NO5 | 449.6 | 448.31 | GCDCA-D4 | 5.92 | 0.9962 |
G-UDCA | C26H43NO5 | 449.6 | 448.31 | GCDCA-D4 | 2.99 | 0.9987 |
Taurine-conjugated | ||||||
T-CA | C26H45NO7S | 515.3 | 514.28 | GCDCA-D4 | 5.06 | 0.9960 |
T-α-MCA | C26H45NO7S | 515.3 | 514.28 | GCDCA-D4 | 2.93 | 0.9977 |
T-β-MCA | C26H45NO7S | 515.3 | 514.28 | GCDCA-D4 | 3.09 | 0.9966 |
T-UDCA | C26H45NO6S | 499.3 | 498.29 | GCDCA-D4 | 4.92 | 0.9959 |
T-CDCA | C26H45NO6S | 499.3 | 498.29 | DCA-D4 | 8.05 | 0.9992 |
T-DCA | C26H45NO6S | 499.3 | 498.29 | DCA-D4 | 8.85 | 0.9995 |
T-LCA | C26H45NO5S | 483.3 | 482.29 | LCA-D4 | 11.16 | 0.9936 |
