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New Release MassWorks 3.0  

MassWorks helps you to correctly identify yor formula Id

Both for low and high resolution Mass Spectrometry

Innovative Software for Mass Spectrometry

Patented calibration technology corrects for both mass error and line-shape error enabling formula ID on single quad GC and LC/MS and improving formula ID on high resolution MS through exact isotope modeling
   

MassWorks consists of two different programs:

  • CLIPS
    • For low resolution MS systems like quadrupole
    • Needs a known compound for calibration.
      you calibrate with the known compound and apply the calibration to the unknown,
    • Gives normally a mass accuracy >5ppm
    • Spectral accuracy to 99.9%
  • SCLIPS
    • Improved formula Id for high resolution MS systems
    • Line-shape calibration for exact isotope modelling
    • Compare calibrated spectra with theoretical
    • For use with all Tof, OrbiTrap etc......

Learn more about CLIPS

Learn more about sCLIPS

Cerno Calibration Tutorial

New Features in MassWorks 3.0
  • Added an option for CLIPS and sCLIPS to significantly reduce the number of possible formulas during elemental composition determination through the use of empirical rules
  • Automatically set/adjust the minimum and maximum number of elements (elemental limits) in the element table according to a measured accurate mass (m/z) based on one of the two known compound libraries
  • Imposing constraints based on valences of individual elements and ionization modes (Lewis and Senior rule)
  • Imposing constraints based on statistically feasible ratios between hydrogen and carbon numbers (Hydrogen/Carbon Ratio)
  • Imposing constraints based on statistically feasible ratios between other element pairs (Heteroatom Ratios)
  • Automatically updating elemental limits in the element parameter table for CLIPS and sCLIPS when the mass (m/z) changes or a different ion has been selected for analysis
  • Improved CLIPS and sCLIPS reporting
  • Added file support for Shimadzu quadrupole LC/MS (.lcd file)

  • Updated file support for ThermoFisher XCalibur v2.1
Chemalys 2010-10-19

 

 
Chemalys is offering software for handling of Mass Spectrometry & NMR data, but also for lab-data and bioinformatics.

Chemalys Scientific AB
P.O. Box 100
SE-137 25 Dalarö
Sweden

Phone: +46-8 74 120 74
Fax: +46-8 74 120 74
E-mail: info@chemalys.com