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.
 

molecular profile
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.