Structure elucidation

We identify unknown degradation products, contaminants and other substances that are generated i. a. during a stability test using the most advanced analytical techniques. Our range of services includes:

  • isolation and purification of unknown compounds using an analytical fraction collector.
  • recording of UV-Vis and IR spectra.
  • determination of the relative molecular mass and estimation of the empirical formula using high-resolution time-of-flight mass spectrometry (6530 Q-TOF LC/MS, Agilent) with a mass accuracy of < 2 ppm. Based on the fragmentation behavior, the putative structure of the substance can be deduced.
  • elucidation of the complete molecular structure by NMR spectroscopy (in cooperation with our partner laboratories).

Since each structure elucidation is, in itself, a separate complex task, we always provide a customised proposal for your analytical question.

Image: High-resolution mass spectrum of an unknown contaminant
(m/z 313.2171 corresponds to C
21H29O2 = protonated molecular ion of pregna-4,14-diene-3,20-dione)