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
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.
- "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 presentationBoehringer IngelheimS.Pennino,F.Qiu,Y.Wang ASMS2008
- "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
- "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
- "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
- "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
- "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