Detection and characterization of metabolites in biological matrices using mass defect filtering of liquid chromatography/high resolution mass spectrometry data.

@article{Zhu2006DetectionAC,
  title={Detection and characterization of metabolites in biological matrices using mass defect filtering of liquid chromatography/high resolution mass spectrometry data.},
  author={Mingshe Zhu and Li Ma and Donglu Zhang and Kenneth L Ray and Weiping Zhao and W Griffith Humphreys and Gary L. Skiles and Mark Sanders and Haiying Zhang},
  journal={Drug metabolism and disposition: the biological fate of chemicals},
  year={2006},
  volume={34 10},
  pages={1722-33}
}
An improved mass defect filter (MDF) method employing both drug and core structure filter templates was applied to the processing of high resolution liquid chromatography/mass spectrometry (LC/MS) data for the detection and structural characterization of oxidative metabolites with mass defects similar to or significantly different from those of the parent drugs. The effectiveness of this approach was investigated using nefazodone as a model compound, which is known to undergo multiple common… CONTINUE READING