NEW in Version 5.0
In conventional sCLIPS, typically the averaged MS across a chromatographic peak is used to correct the instrument line-shape and enable exact isotope modeling for Spectral Accuracy evaluation of various possible elemental compositions. With ultra-high resolution MS at ≥ 240,000 resolving power, the observed fine isotopes can vary systematically from scan to scan, depending on the ion population and the associated space charge effects. Best Scan sCLIPS goes beyond the conventional sCLIPS to evaluate the attainable Spectral Accuracy for each and every scan while searching for possible elemental compositions. The scan with the best Spectral Accuracy (oftentimes not at the chromatographic peak apex) will be selected and utilized for accurate elemental composition determination.
“The use of exact isotope modeling [with MassWorks] is key to unique formula ID [with FT-ICR] and profile mode peakshape calibration is needed to achieve the required Spectral Accuracy.” Read all quotes
Boehringer Ingelheim Pharmaceuticals Poster from ASMS 2008