ACD/Labs Solutions: Structure Elucidation by MS

Mass spectrometry and LC/MS are usually the front line of impurities analysis. ACD/Labs accelerates this phase of work with the following:

Automated Clean-Up of Noisy LC/MS Spectra
	Dramatically reduce the noise in these datasets with patented CODA algorithm.

Compare LC/MS Spectrum With a Standard
	Avoid comparing these data sets scan by scan, by using patented COMPARE LC/MS algorithm to expose real differences between spectra.

Accurate Mass and Empirical Formula
	Process your accurate mass data sets and automatically generate relevant molecular formulae.

Comparison With Your Own Spectra
	Search your own database of mass spectra by spectral similarity to gain insight into the possible compounds. Apply your knowledge of the parent compound to structural queries against this data.

Comparison With Literature Spectra
	Search literature spectra in the same interface with the same querying capabilities.

Evaluation of Candidate Structures
	Apply fragmentation prediction and spectrum matching to candidate molecular structures to assess their viability.

Report Results
	Produce professional reports in minutes with many of the time saving features common to all of our software, including cut and paste to MS Office products and export to PDF format.