ESP (LC/MS) mass spectra and daughter spectra of the biliary metabolites of [14C]DHA in male rats
| Metabolite | RT | Ions and Relative Abundance |
|---|---|---|
| min | ||
| 3α-Hydroxydesoxy-DHA glucuronide (I) | 11.0 | m/z 478 ([M+NH4]+, 58), 267 ([M+NH4-NH3-176-H2O]+, 100) |
| Daughter spectrum I | m/z 267(100) | |
| THF-acetate glucuronide (II) | 16.5 | m/z 478([M+NH4]+, 56), 401 ([M+NH4-NH3-CH3CO2H]+, 23), 383 ([401-H2O]+, 7), 373 ([401-CO]+, 100), 225 ([401-176]+, 4), 207 ([225-H2O]+, 6) |
| Daughter spectrumII | m/z 401 (5), 267 (59), 225 (100), 207 (53) | |
| DHA glucuronide (III) | 20.5 | m/z 478 ([M+NH4]+, 100), 461 ([M+1]+, 4), 443 ([M+1-H2O]+, 12), 267 ([M+NH4-NH3-176-H2O]+, 96), 249 ([267-H2O]+, 13), 221 ([267-HCO2H]+, 17), 207 (22), 203 ([249-HCO2H]+, 5), 189 (10), 179 (5), 163 ([221-(CH3)2CO]+, 10) |
| Daughter spectrum III | m/z 267(100), 249 (2), 221 (10), 207 (2), 203 (4), 189 (2), 163 (18) | |
| Desoxy-DHA glucuronide (IV) | 21.5 | m/z 462 ([M+NH4]+, 63), 268 ([M+NH4-176-H2O]+, 6), 251 ([M+NH4-NH3-176-H2O]+, 100) |
| Desoxy-DHA (V) | 31.0 | m/z 286([M+NH4]+, 11), 268 ([M+NH4-H2O]+, 8), 251 ([268-NH3]+, 100) |
Bile (0–1 hr collection) was eluted from a C8 column with a gradient of acetonitrile in 1% aqueous acetic acid. Spectra were acquired at a cone voltage of 20 V. Daughter spectra ofm/z 478 were generated by CID using argon. The fragment of mass 176 amu is dehydroglucuronic acid.