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Micro Solutions / Life Science
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
Product overview
- Spectrum libraries and screening software
- Bruker
- USA
- ToxScreener on qTOF
- Spectrum libraries and screening software
TargetScreener HR database with 3,000+ connections and programs for targeted, suspected and non-targeted screening
QTOF and timsTOF data software: from automatic screening to search for unknowns
Precision libraries and software tools for automated targeted and retrospective HRMS screening.
The 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.
Key figures
10
qualifier ions on the connection
CCS
4th dimension
LIMS
export
Applications
- Pesticide residues
- Forensic toxicology
- PFAS and pollutants
- Metabolomics
- Authenticity of food products
Models and configurations
- TASQ + TargetScreener HR database
- MetaboScape
Product details
MRSQC color score
mass, retention time, isotopes, fragments, CCS
TASQ Report
qualitative and quantitative
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
| 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
| Composition | TargetScreener HR database: over 3,000 records, up to 10 qualifier ions MetaboBASE, NIST 2023 |
|---|
Compatibility
| Instruments. | QTOF compact and impact II VIP (TargetScreener HR), timsTOF (TargetScreener 4D) |
|---|---|
| Chromatography | UHPLC and GC |
Libraries and methods
TargetScreener 4D
TIMS and CCS version; ready-made GC-APCI method for dioxins, furans and PCBs - 350 pollutants
MetaboBASE Personal Library 3.0
MS/MS spectra of over 100,000 standards and in-silico spectra of over 233,000 connections
Bruker HMDB Metabolite Library 2.0
More than 6,000 MS and MS/MS spectra from over 800 HMDB standards
Related equipment types
- QTOF mass spectrometers
- HPLC/UHPLC systems
- Gas chromatographs
Related products
- BUCHI Pure Excellence C-915 — Gas chromatographs
Classification
- Toxicology and omics
- Screening of narcotic and psychoactive substances
- Software and Digital Solutions
- Instrument management and data collection
- Spectrum libraries and software for HRMS screening TASQ and MetaboScape