Bruker
Spectrum libraries and software for HRMS screening TASQ and MetaboScape
TargetScreener HR database with 3,000+ connections and programs for targeted, suspected and non-targeted screening
Precision libraries and software tools for automated targeted and retrospective HRMS screening.
Request a quotationThe software suite matches full-scan and bbCID data with library masses, retention time, isotope profile and diagnostic snippets. TASQ supports routine screening and reporting, and MetaboScape helps investigate unexpected compounds and known unknowns.
TargetScreener HR contains more than 3,000 records and up to ten qualifier ions per compound, including exact bbCID fragment masses, adducts and isomers. CCS is used in the 4D process; new compounds can be added to the HRMS database and applied to previously obtained data.
TargetScreener HR database
- More than 3,000 records: medicines, including NPS, pesticides, veterinary drugs, PFAS, steroids, toxins, dioxins
- Monoisotope masses, retention time and up to 10 qualifier ions per compound
- New compounds are added to the database and applied to previously obtained data.
TASQ: Screening and Quantitative Analysis
- Five steps: screening, peak detection, verification, evaluation, quantification
- MRSQ/MRSQC color score by weight, retention time, isotope profile, fragments and CCS
- Ready-made reports or export to LIMS; quick method setup wizard
MetaboScape: Search for the Unknown
- Statistical analysis (t-test/ANOVA, diagram "volcano") to identify unexpected compounds
- Identification through SmartFormula, CompoundCrawler and MetFrag
- Search for MetaboBASE and NIST 2023
Functions
| Parameter | TASQ + TargetScreener HR database | MetaboScape |
|---|---|---|
| Types of screening | Targeted, retrospective, quantitative | Untargeted, suspect, identification of unknowns |
| Input data | Full MS and bbCID scan; 4D scan is CCS (TIMS) | |
| Evaluation criteria | Mass, retention time, mSigma, qualifier ions, CCS | Formula, fragments, search by library |
| Conclusion of results | Reports, exports to LIMS | Statistical tables and graphs |
Libraries
| Parameter | TASQ + TargetScreener HR database | MetaboScape |
|---|---|---|
| Composition | TargetScreener HR database: over 3,000 records, up to 10 qualifier ions | MetaboBASE, NIST 2023 |
Compatibility
| Parameter | TASQ + TargetScreener HR database | MetaboScape |
|---|---|---|
| Instruments. | QTOF compact and impact II VIP (TargetScreener HR), timsTOF (TargetScreener 4D) | |
| Chromatography | UHPLC and GC |