Today, we are very pleased to announce the SpeCS v.0.6 release which applies the spectral comparison score (SCS) algorithm score LMs in relation to their structural similarity enabling a well-defined quality control approach for PRM based quantitation. The score is based on the Spearman’s rank correlation between fragment intensities in the query and library as well as the number of matched fragment. To automatize the scoring the software “SpeCS” was developed to
1) process raw peak lists,
2) generate customized spectral libraries,
3) perform SCS calculations, and
4) help to identify quantifier ions.
A set of filters can be employed to delete background signals and/or select only fragments that fit the compositional constraint of CnH3/2n-yOz (n=4,5,6…22; y: 0,1,2; z=0,1,2..5).
Download SpeCS v.0.6.
New in this release
Publications
Adam Wutkowskia, Matthias Krajewski, Navratan Bagwan, Mathias Schäfer, Bhesh R.Paudyal, Ulrich E. Schaible, Dominik Schwudke,
Software-aided quality control of parallel reaction monitoring based quantitation of lipid mediators,
Analytica Chimica Acta (2018),doi:10.1016/j.aca.2018.01.044
Bioanalytical Chemistry - Research Center Borstel
Dr. Domink Schwudke - Research group leader
Dr. Adam Wutkowski - Research Center Borstel
