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IROA ClusterFinder™ Software - HOW IT WORKS

ClusterFinder is a targeted and non-targeted mass spectrometry computational analysis tool developed to process isotopically enriched metabolomics data; centered around 13C at 93-97% and 2-5% (typically 95% and 5% 13C) abundance called “IROA”.  
 
Why 95% and 5% 13C abundance?  The use of 13C isotopes in metabolomics studies greatly enhances the ability to identify and quantify molecules. Traditionally, stable isotope labeling analyses use molecules labeled at 99% 13C. 
 
There are several reasons why we use 95% and 5% 13C:
  • Eliminates false data - 95% and 5% 13C gives rise to a distinctive isotopic pattern easily differentiated from natural abundance non-biological artefacts and noise
  • Mathematically calculable to enable computational analysis
  • Removes variances - labeled and unlabeled species are subject to the same biases, thus increasing comparability of different measurements
  • Enables identification –  the number of carbons for each metabolite can be determined; carbon number and mass together greatly restricts the number of possible molecular formulae 
  • Facilitates detections of low intensity features - at natural abundance more that one isotopic peak is often not detectable or can be excluded as noise
  • Reduces cost of analysis - 95% and 5% 13C samples can be mixed and analyzed together, reducing sample number by half

The IROA software tool ClusterFinder™ is provided with any kit purchase and developed to support the analysis of IROA LC-MS data files generated using IROA labeled Internal Standards or any of the the IROA protocols, i.e. Basic, PhenotypicFluxomic and the IROA ID-QUANT-QC Workflow.

View the ClusterFinder videos to see how this software can produce results for you:


 
 
 
CF Unbiased Search for IROA peaks 
 
 

CF BinTree - bins are displayed as a tree
 
CF Curation 1: Untargeted - quality of the peaks
 
 
Coming soon:
Curation 3: Targeted
 

Export: Resulting data files can be exported in either Agilent compound exchange format (.cef), readily imported into MassHunter Mass Profiler Software, MSP format (called NIST format), or comma separated value (.csv) format that may be imported and interpreted by other statistical programs that the user may employ.

Access to statistical tools on the IROA Web Portal to produce high quality data interpretation of the data set is freely provided through the IROA Technologies website. 

For further information, see ClusterFinder FAQ.  

IROA Technology Primer and ClusterFinder Software User Manual provided with kit purchase.