The Use of SmartFormula in Real World Drug Impurity Identification
Dr. Richards, Pfizer, UK at ASMS 2007 Bruker Daltonics Users Meeting
The TargetAnalysisTM application allows multi-target compound screening in complex matrices, providing high specificity and enhanced SigmaFitTM molecular formula determination. The solution is able to screen hundreds of compounds from a single sample LC/ESI-TOF run and enables screening for large compound libraries with a confidence level and reproducibility unsurpassed by any other system. This workflow saves significant time when running multi-target applications like drugs/metabolites in urine, food safety analysis, forensic toxicology or environmental testi
TargetAnalysis is a library-based screening software solution able to screen hundreds of compounds from a single sample LC/ESI-TOF run with the provided by.
micrOTOF™ or micrOTOF-Q™ ESI-TOF mass spectrometers deliver ultra stable outstanding mass accuracy technology with excellent stability over time, over concentration changes during an LC-run, as well as over a wide mass range.
In contrast to traditional triple- quadrupole mass spectrometers which are limited in the number of targets they can screen per LC run, the micrOTOF TargetAnalysis solution can easily handle several hundred compounds in a single LC run.
Users can automatically create their own application-specific accurate mass libraries, for example, for pesticides in food or in doping control. The unique AMIC (accurate mass ion chromatogram) technique, with a tolerance down to +/- 0.002 Da, dramatically reduces chemical background interference and greatly improves specificity.
Retain the Full Molecular Information Retrospective in silico screening for new or unexpected compounds is possible because unlike in triple-quad based MRM methods, the system retains the full molecular information content in addition to the target library specific information. With the micrOTOF-Q, it is even possible to ID unknown compounds with MS/MS – and resolve chemical formula with sub-ppm confidence by SigmaFit; the combination of accurate mass measurement and True isotopic pattern analysis.
For research use only. Not for use for diagnostic purposes.


