MassWorks Version 5.0

Version 5.0

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Adding to the legacy established in previous versions, MassWorks 5.0 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 5.0

  • NIST Library Search  and ChemSpider Integration

The power of GC/MS search coupled with accurate mass (>±10mDa) search and better than 99% spectral accuracy turns your single quad GC/MS into a powerful problem solving analytical tool.  Perform accurate mass searches in the NIST library by simply clicking on the spectrum in MassWorks.  Verify the library hit with increased confidence using the power of spectral accuracy and the built-in CLIPS formula search. Search formulas from the CLIPS hit list in either NIST or ChemSpider libraries to confirm the compounds and explore their possible structures and other molecular properties.

  • BestScan™ sCLIPS

High resolution traps, such as the Orbitrap, can suffer from poor spectral accuracy due to space charge effects even with automatic gain control.  MassWorks identifies the best spectrum across the eluting chromatographic peak using Spectral Accuracy to minimize this problem by pinpointing the best MS scan, typically not at or near the chromatographic peak apex, to use for accurate elemental composition determination of unknown compounds.

For a list of all new features click here.

What users are saying about MassWorks: (Read All)

  • "The ability to provide the elemental identification of unknown compounds on a routine basis by any scientist is now within one's reach." - Click here to read full presentation
    Eli LillyJ.Mick,T.Gillespie ASMS2007
  • "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
  • "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
  • "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
  • "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