Constant Ion Loss Method for the Untargeted Detection of Bis-sulfate Metabolites
| Autor: | Oscar J. Pozo, Malcolm D. McLeod, Georgina Balcells, Argitxu Esquivel, Rosa Ventura, Jordi Segura, Christopher C. Waller |
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| Rok vydání: | 2016 |
| Předmět: |
0301 basic medicine
Chromatography medicine.medical_treatment 010401 analytical chemistry Analytical chemistry 01 natural sciences Spectral line 0104 chemical sciences Analytical Chemistry Triple quadrupole mass spectrometer Ion Steroid 03 medical and health sciences chemistry.chemical_compound 030104 developmental biology chemistry Ionization Phase (matter) medicine Sulfate Drug metabolism |
| Zdroj: | Analytical chemistry. 89(3) |
| ISSN: | 1520-6882 |
| Popis: | The untargeted detection of phase II metabolites is a key issue for the study of drug metabolism in biological systems. Sensitive and selective mass spectrometric (MS) techniques coupled to ultrahigh performance liquid chromatographic (UHPLC) systems are the most effective for this purpose. In this study, we evaluate different MS approaches with a triple quadrupole instrument for the untargeted detection of bis-sulfate metabolites. Bis-sulfates of 23 steroid metabolites were synthesized and their MS behavior was comprehensively studied. Bis-sulfates ionized preferentially as the dianion ([M – 2H]2–) with a small contribution of the monoanion ([M – H]−). Product ion spectra generated from the [M – 2H]2– precursor ions were dominated by the loss of HSO4– to generate two product ions, that is, the ion at m/z 97 (HSO4–) and the ion corresponding to the remaining monosulfate fragment. Other product ions were found to be specific for some structures. As an example, the loss of [CH3 + SO3]− was found to be impor... |
| Databáze: | OpenAIRE |
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