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- Title
Automated High-Throughput Formula Determination and Confirmation with "sub-ppm" Confidence.
- Authors
Götz, Sebastian; Zey, Thomas; Vahienkamp, Malte; Baessmann, Carsten
- Abstract
The article examines the use of "sub-ppm" confidence for automated high-throughput formula determination and confirmation. The combination of an ultra fast liquid chromatography (LC) system with an accurate mass TOF mass spectrometer creates a powerful system for information-rich high-throughput analyses. De novo formula generation using accurate mass, true isotropic pattern and SigmaFit information allows rapidly confirming and identifying pharmaceutical compounds with "sub-ppm" confidence.
- Subjects
LIQUID chromatography; CHROMATOGRAPHIC analysis; MASS spectrometers; SPECTRUM analysis instruments; ANALYTICAL chemistry
- Publication
LC-GC Europe, 2007, Vol 20, p39
- ISSN
1471-6577
- Publication type
Article