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Application of accurate mass measurement to urine drug screening.
- Source :
-
Journal of analytical toxicology [J Anal Toxicol] 2005 Jan-Feb; Vol. 29 (1), pp. 34-40. - Publication Year :
- 2005
-
Abstract
- Poor availability of reference standards for designer drugs, metabolites, and new substances prevents toxicology laboratories from rapidly responding to the changing analytical challenges of drug abuse. A novel screening approach comprising determination of accurate masses of sample components and comparison of these with databases of theoretical monoisotopic masses is described. Using liquid chromatography-time-of-flight mass spectrometry (LC-TOFMS), a routine mass search window of 20-30 ppm was applied to urine samples. The ultimate reference technique, liquid chromatography-Fourier transform mass spectrometry (LC-FTMS), was capable of confirming the findings within a 3 ppm mass accuracy. Using a target database of 7640 compounds, the number of potential elemental formulas ranged from one to three with LC-TOFMS, and it was always one with LC-FTMS. In contrast to ordinary techniques requiring primary reference standards, the formula-based databases can be updated instantly with fresh numeric data from scientific literature and authority sources.
Details
- Language :
- English
- ISSN :
- 0146-4760
- Volume :
- 29
- Issue :
- 1
- Database :
- MEDLINE
- Journal :
- Journal of analytical toxicology
- Publication Type :
- Academic Journal
- Accession number :
- 15808011
- Full Text :
- https://doi.org/10.1093/jat/29.1.34