HPLC peak | Matrix | r.t. (min) | MSn | Daughter/granddaughter ions | Proposed Identity |
---|---|---|---|---|---|
I | B | 8–10 | 2 | [411]; 157,175,235,277,349,393* | 4-n-Hydroxynonylphenol-β-D-glucuronide |
II | B | 14.1 | 2 | [395]; 113,175*,219,377 | 4-Nonylphenol-β-D-glucuronide |
III | B | 15.3 | 2 | [395]; 113,175*,219,377 | 4-Nonylphenol-β-D-glucuronide |
IV | B | 15.6 | 2 | [235]; 121,133,147,161*,178,205,215 | 4-n-Hydroxynonylphenol |
V | B | 18.6 | 2 | [219]; 119,133*,147,161,162,189,204 | 4-Nonylphenol |
VI | M | 6.4–10 | 2 | [411]; 157,175,235,277,349,393* | 4-n-Hydroxynonylphenol-β-D-glucuronide |
3 | [411], [235];133*, 191 | ||||
VII | M | 12.2 | 2 | [395]; 113,175*,219,377 | 4-Nonylphenol-β-D-glucuronide |
VIII | M | 15.6 | 2 | [235]; 121 133,147,161*,178 | 4-n-Hydroxynonylphenol |
IX | M | 18.6 | 2 | [219]; 119,133*,147,161,162,190,204 | 4-Nonylphenol |
X (n.r.) | M | 9.9 | 2 | [315]; 235 | 4-Nonyl-n-hydroxyphenol sulphate |
3 | [315];[235] 149*,164,177,192,206 | ||||
XI (n.r.) | B & M | 17.2 | 2 | [235]; 149*,164,177,178,192,206,220 | 4-Nonyl-n-hydroxyphenol |
4-nonylphenol | Standard | 18.6 | 2 | [219]; 119,133*, 147, 161,162,177,190,204 |
LC-MSn analysis of radio (HPLC peaks I-IX, fig. 3) and non-radiolabeled 4-nonylphenol metabolites found in trout bile (B) and trout hepatocyte culture medium (M) before and after treatment withHelix pomatia β-glucuronidase. In all cases deprotonated pseudomolecular ions were used to generate daughter ion spectra. Granddaughter ions were produced by fragmentation of aglycone/asulphone daughter ions. [] Indicates m/z of parent ion; * indicates the most abundant ion in the mass spectrum; r.t. refers to HPLC retention time; n.r. indicates non-radiolabeled metabolite.