MS Structure ID
MS Structure ID is a powerful chemical software designed for efficient identification and characterization of compounds in complex samples. It integrates mass spectrometry data processing, allowing users to deconvolute hyphenated data, match experimental spectra, and generate structure candidates. The software streamlines workflows, enhances data management, and supports seamless integration across various analytical techniques.
Top MS Structure ID Alternatives
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NMR Predictors revolutionizes process chemistry by enabling rapid prediction of 1D and 2D NMR spectra for various nuclei, including 1H, 13C, and 15N.
AutoChrom
AutoChrom is a specialized software designed to enhance chromatographic method development through a workflow-based structure.
Spectrus JS
Spectrus JS offers a suite of browser-based applications designed for seamless structure characterization and data management across various analytical techniques.
Tox Suite
ACD/Tox Suite offers a robust array of structure-based prediction modules for toxicity assessment, enabling users to calculate critical safety endpoints efficiently.
Spectrus Processor
Spectrus Processor streamlines the analysis of diverse spectrometric and spectroscopic data, enabling users to process results from multiple techniques—such as NMR, LC/MS, and IR—within a unified interface.
ACD/Name
It adeptly manages complex nomenclature challenges, including stereodescriptors, and supports over 20 languages...
ChemAnalytical Workbook
Users can import, process, and interpret data from instruments like LC/MS, GC/MS, and NMR...
MS Fragmenter
By generating clear fragmentation trees, it enhances confidence in compound identification and simplifies the publication...
MS Workbook Suite
It streamlines peak auto-annotation, facilitates structure identification, and allows for the search of unknown compounds...
Findmolecule
By eliminating the need for Excel files and manual record-keeping, it enhances productivity with features...
NMR Workbook Suite
It enables synchronized peak picking, structure verification, and mixture quantification while facilitating the creation of...
ORGANIC REACTION
It enhances understanding of complex chemical processes, supported by practical applications in petrochemical simulations, and...
PhysChem Suite
Its modules calculate key parameters like pKa, logP, and solubility, enabling high-throughput screening and data-driven...
Top MS Structure ID Features
- Data consolidation workflow
- Vendor-agnostic compatibility
- Searchable result database
- Automated structure fragment assignment
- Mass spectral peak annotation
- Elemental composition filtering
- Retention time matching
- Curve fitting quantitation tools
- Real-time sample deformulation
- Library spectrum matching
- Co-eluting species analysis
- Deconvolute hyphenated data
- Chemical characterization support
- Process all MS data types
- Simplified structure verification
- Enhanced data management capabilities
- Batch search functionality
- User-friendly structure drawing
- Integration with analytical techniques
- Robust reporting features.
