Adding to the legacy established in previous versions, MassWorks 6.1 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
New Features for Version 6.1
- 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.
- Bruker TOF MS File Support
MassWorks “Direct Read” technology now supports opening data directly from Bruker *.baf MS data from its TOF family of products.. 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. This enables Bruker users to more easily leverage the power of MassWorks software to improve formula ID, perform complex mixture analysis including isotope labeling, HDX experiments, and biomolecule modifications.
- 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.
- "With PFTBA calibration performed to each GC/MS run, mass accuracy better than 10mDa can be achieved and Spectral Accuracy of better than 99% can be achieved to help attain reliable formula determination. The mass calibration is stable after 11 days without significantly compromising formula determination. While mass calibration is more susceptible to time related variations, the Spectral Accuracy has been shown to be robust enough for formula determination after 19 days." -Click here to read full presentationBoehringer IngelheimJ.Mullis,F.Qiu,Y.Wang ASMS2008
- "The program is very easy to learn, it literally took minutes to get the first exciting results. On our 10 year-old triple quad, we manage to achieve mass accuracies of 10 ppm or better, routinely! It has become an integral part of our characterization pipeline for newly synthesized compounds."University of ViennaDr. Alexander Leitner
- "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
- "Determining the elemental composition of pure materials at modest resolution typical of quads has never been routinely practiced – CLIPS brings that task very close to practice for the general user. It is not too much of a stretch to suggest CLIPS will enhance the confidence of TOF-based assignments as well, which may even challenge slower FTMS-based determinations."User at a large midwest consumer products company
- "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
- "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 presentationEli LillyJ.Mick,T.Gillespie ASMS2007