Software Solutions
Compass and additional informatics
​
Maximum information, streamlined processes, easy-to-use
TASQ® field of application: Screening, quantitation
TASQ (Target Analysis for Screening and Quantitation) is Bruker’s solution for target and non-target screening, confirmation, and quantitation of large sample batches, including hundreds of compounds per analysis. The CCS-enabled TASQ solution allows exploiting the ion mobility separation on timsTOF instruments for absolute confidence in your results. TASQ takes advantage of both nominal and high resolution, accurate-mass data generated by Bruker's triple quadrupole and QTOF mass spectrometers. TargetScreener HR – driven by TASQ – allows report generation from ‘vial to report’ in seven clicks. TASQ includes now support of Audit Trail, User Action Rights and User Access Control.
MetaboScape® field of application: Discovery
MetaboScape software adds workflows for the detection and identification of unexpected compounds using statistical tools (calculation of elemental compositions, search for structure candidates in personal and public databases, in-silico fragmentation of structure candidates & MS/MS spectrum match, prediction of metabolites and in-silico fragmentation) as well as spectral libraries. For timsTOF, timsTOF Pro and timsTOF fleX PASEF data, MetaboScape offers the CCS-Predict Pro confirmation tool. Based on machine learning, it predicts CCS values for structures, yielding supreme confidence in annotations. CCS and retention time aware Kendrick mass defect (KMD) plots offer an intuitive 4D visualization tool for investigation of assignments and detection of novel species.
PolyTools field of application: Polymer analysis
PolyTools interprets homopolymer spectra in any mass range. Equidistant signals are automatically found and interpreted as individual polymer distribution. Based on user-defined tables of monomer units and end-groups PolyTools suggests interpretations of the ion series. For each single distribution average molecular weights, dispersity, degree of polymerization and percentage of the individual ion series in the spectrum can be calculated. Results are displayed in the form of several Kendrick mass defect (KMD) plots and in a table format.