Taking High Resolution Data LC/MS Reduction To The Next Level For Reduced False Positive Detection And Increased Mass Accuracy
ASMS 2013, Minneapolis, MN, USA, June 9 – 13, 2013, Mark A. Bayliss, Joseph Simpkins, Stephane Murphy, Timothy R. Croley, Ann M. Knolhoff
Both targeted and non-targeted full scan MS assays rely on the ability to extract and process extracted ion chromatograms (EIC) and spectra. Data processing in almost all commercial and in-house developed data processing packages requires a user to manually enter data extraction parameters that are then used in the data reduction. In most cases data extraction is reduced to a series of fixed values that are applied irrespective of the mass being evaluated, leading to a compromise in the specificity of data extraction. This presentation focuses on recent developments to automate the determination of the primary influencing variables in data extraction and the automated recalibration of the mass scale without the need for manually added mass calibration standards.