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Molecular Profile
Complete Molecular Confidence™
Molecular Profile
Complete Molecular Confidence yields the Molecular Profile in the form of a compact report, detailing metrics for the quality of the fit of the molecular formula, as well as any other sum formula candidates. It delivers a probability for the verification of the proposed molecular structure, purity information and approximate quantity of the sample.
- Standardized sample quality report
Registration
Bar code registration and automatic sample preparation for both NMR and MS is managed by one liquid handler.
MS
Bruker’s microTOF-Q II, with its SmartFormula 3D, generates the often unique molecular formula for molecules up to 1 kDa in mass. It utilizes the unique combination of exact mass and high-fidelity isotopic ratios of both MS and MS/MS data.
NMR
Bruker’s AVANCE III system delivers a set of 1D and 2D NMR experiments, which are analyzed iteratively by comparing predicted structures to the molecular sum formulas proposed. This delivers high fidelity molecular structure verification and semi-quantitative information on analyte amounts and purity.
Report
All results are presented in the form of a standardized sample quality report.