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Cerno publishes award-winning mass spectrometry calibration and analysis software which not only enables formula determination at unit mass resolution (single or triple quad) with 100x improvement in mass accuracy (CLIPS), a capability typically reserved only for HiRes MS systems, but also improves formula ID at HiRes by 20x through the Spectral Accuracy concept (sCLIPS).  These dramatic results are enabled through the patented TrueCal™ calibration process and validated by hundreds of publications and thousands or satisfied users across the world.

For unit resolution quadrupoles:

  • 100x better mass accuracy
  • up to 99.9% Spectral Accuracy
  • Confident elemental composition determination
  • Mixture deconvolution for isotope analysis and large molecule degredation

For high resolution TOF, Orbitrap, FT ICR:

  • Self-calibrates peak shape without standards for exact isotope modeling
  • Eliminates 95-99% of incorrect formulas with high spectral accuracy
  • Quantitative measurements for biologics degradation analysis

sCLIPS improves formula ID on high resolution mass spectrometers

MassWorks TrueCal™ calibration technology provides advantages for both high and low resolution instruments.  The above left figure shows an almost perfect match (Spectral Accuracy) between a calibrated single quad and the corresponding “True” calculated MS using the CLIPS search.  The figure on the right shows excellent spectral accuracy match for confident formula ID on a high resolution TOF instrument using sCLIPS search.

Quantitation of labeled and unlabeled isotopes

 

Proper mass spec calibration also means that complex mixture deconvolution of overlapping and interfering ions is easy and provides the most accurate quantitative results.  The top figure shows the accurate quantitative analysis of 7 component mixture of a C13 radio labeled pharmacutical using a quadrupole instrument.  The bottom figure shows the ability to detect and deconvolve modified products (glycan conjugates 0 – 10) of a large molecule intact protein (by Maldi) (see ASMS poster). This type of analysis is not possible by other means!

Introducing…

GC/ID is a fully automated compound identification application that offers new levels of accuracy and confidence in GC/MS qualitative analysis.  Based on the powerful new MassWorks Rx configurable platform, GC/ID offers powerful new capabilities to GC/MS including:

  • Deconvolves unresolved peaks with 10x the sensitivity of conventional methods
  • Accurate mass search of NIST libraries with retention time index
  • Molecular ion and mass fragment formula ID for unknown compound ID
  • Report generation and LIMS integration

Learn more about GC/ID here.

The software that started it all…

With over a dozen patents and 1000’s of users, the award winning MassWorks established the performance benchmark for “True” mass spec calibration.  MassWorks is a Windows based desktop software that works with most MS vendor instruments by directly reading the data files making the powerful calibration and analysis technologies available to both nominal and high resolution instruments.  Learn more about it here.

Cerno is an authorized distributor of NIST MS libraries and MS software

Get your NIST GC/MS libraries for use with MassWorks Rx GC/ID or stand alone for any GC/MS system.  Also learn how to use the NIST accurate mass MS/MS libraries with your unit resolution quadruple!

  • "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
  • "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
  • "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
  • "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 presentation
    Boehringer IngelheimJ.Mullis,F.Qiu,Y.Wang ASMS2008
  • "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

What is “Spectral Accuracy”, a video tutorial

Read about the importance of Spectral Accuracy in this feature article in Analytical Chemistry