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Article: New analytical chemistry findings from P.J. Zhu and co-authors described.
- Article from:
- Chemicals & Chemistry
- Article date:
- August 28, 2009
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"Detection and identification (ID) of all drug metabolites following liquid chromatography (LC)/mass spectrometry (MS) analysis of complex biological matrixes are not trivial. To facilitate detection of drug-derived materials that possess highly diagnostic isotopic patterns (e.g., chlorine- and bromine-containing compounds), we report an accurate-mass-based spectral-averaging isotope-pattern-filtering (AMSA-IPF) algorithm developed in the computational language R. The AMSA-IPF algorithm offers three significant improvements over the traditional isotope filtering method often provided by instrument vendors," investigators in the United States report.
"First, ...