MassWorks Version 6.0

Version 6.0

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Adding to the legacy established in previous versions, MassWorks 6.0 is still the easy-to-use post acquisition software package that utilizes Cerno’s patented TrueCal™ technology to achieve high mass accuracy and high Spectral Accuracy and enable elemental composition determination on conventional mass spectrometers of unit mass resolution using the patented CLIPS formula search.  MassWorks sCLIPS and BestScan sCLIPS now also provide high spectral accuracy through exact line-shape calibration without the need for standards. MassWorks integrates the powerful TrueCal calibration technology to obtain up to 100X improvement in mass accuracy on unit resolution systems and up to 99.9% spectral accuracy on both high and unit resolution systems in a fast and versatile MS application software package. By mass accuracy with Spectral Accuracy, Cerno methodologies can provide significant improvements to all types of MS data, both high and low resolution.

  • High mass accuracy on quadrupole GC or LC/MS (up to 0.005Da)
  • Improved Spectral Accuracy on all systems (up to 99.9%)
  • Elemental composition determination on quadrupoles
  • Eliminating up to 95-99% of incorrect elemental compositions on high resolution MS
  • Accurate isotope fine structure analysis on ultra-high resolution MS
  • Direct and accurate analysis of unresolved mixtures, e.g.,isotope labeling and biologics modifications

MassWorks now includes sCLIPS and Best Scan sCLIPS, for improving formula ID on high resolution MS, and CLIPS, for enabling formula ID on unit resolution GC or LC/MS single or triple quadrupoles.

More information:

New Features for Version 6.0

  • Agilent OpenLab File Support

MassWorks “Direct Read” technology now supports opening data directly from Agilent OpenLab version 2.4 or higher. OpenLab starting at version 2.4 now is capable of creating Profile Mode data which can be used in MassWorks for producing calibrated high mass/spectral accuracy data for unknown compound ID..

  • More Robust Autocal ™

Autocal for Agilent GC/MS systems automatically creates a calibration when opening a file if the calibration gas was turned on at the end of the run. This highly convenient method of calibration is now more robust than ever and covers a broader range of instrument models and conditions.

  • Formula Modifications now Allow Dimers

You can now include dimers, trimers, or up to a possible 9X multiple of the formula in the formula search (CLIPS or sCLIPS) to automatically model these compound variants in the spectral accuracy fit

  • Fast Copy/Paste
  • New File/Open Progress Bar

For a list of all new features click here.

New features for Version 5.0

For a list of all new features click here.

What users are saying about MassWorks: (Read All)

  • "We have used your MassWorks for all our publications of this year (for formula ID), we have found that in most of the cases the (mass) error is about 10 ppm" ( using LC and GC/MS single quads in 13 publications in organocatalysis in 2017-2018 all in peer reviewed journals)
    Universidad Autónoma de MadridDr. José Alemán
  • "Congratulations!! Once more I are am deeply impressed by sClips. In both cases you are right with the top no. 1 [formula]!! Additionally, I find it fantastic that you do not need a calibration standard for higher resolving mass specs, by “just” looking at the isotope signals."- Communication from blind sample evaluation on a Leco LC-TOF
    Universität Hohenheim, GermanyProf. Dr. Wolfgang Schwack
  • "Your software [MassWorks] continues to amaze. Your first candidate is indeed the unknown -- atranorin [LC/MS]. I'd like to get the software that works with both our Shimadzu GC-single quad and our Shimadzu LC-triple quad."
    Oberlin CollegeDr. Robert Thompson
  • "I have tested and used the MassWorks software since the summer of 2007. The main purpose for me is using its formula ID feature to confirm the GC/MS NIST library search results for unknown chemical substance identification especially when the [NIST] search match values are similar for more than one compounds. The software is relatively simple to use and most times provides the #1 match for our testing chemicals with more than 200 compounds in a variety of chemical groups."
    User from a United States Government Environmental Lab
  • "MassWorks has proven itself on our GC/MSD system for accurate mass measurements and unknown formula ID.  When applied to LC/MSD, it also worked amazingly well to provide accurate mass results for the identification or confirmation of small molecule organic compounds"
    Universidad Autónoma de MadridDr. José Alemán
  • "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."  - Click here to read full presentation
    Boehringer IngelheimS.Pennino,F.Qiu,Y.Wang ASMS2008