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Compound Analysis and QC

Small Molecule Chemistry Analysis IRBM

The final step before compounds are handed off to assays or clients is arguably the most crucial of all. Adequate quality control and the ability to fully characterise a compound both in terms of structure and composition are essential precursors to ensuring that any downstream science is valid.  At IRBM we use a full spectrum of techniques to characterise our products, and in particular have extremely strong expertise in 1D/2D NMR techniques.  In addition, our industry-seasoned chemists are able to develop bespoke analytical techniques specific to the compounds under investigation using a modern panel of instruments, including:

IRBM - Small Molecule Chemistry - Analysis

UPLC/MS – with 5 UPLC/MS instruments in the department, we are well equipped to follow reactions and analyse final products by LC-MS techniques. UPLC-MS also forms the basis of our automated QC procedures, employing in-house software to facilitate the QC process and upload results into our corporate databases.

ELSD/MS – our most recently purchased UPLC instrument is also equipped with light-scattering detection allowing low molecular weight and non-UV active impurities/compounds to be detected/analysed.

NMR – Our ‘workhorse’ 400MHz NMR instruments are complemented by 3 higher field instruments (500 and 600MHz) that are equipped with cryoprobes, and in two cases with high-throughput ‘Sample-Jet’ technology.  Our dedicated NMR team provide strong support to our chemists in confirming structure, stereochemistry, isomer composition and purity of the final compounds we make.

Karl-Fischer – water content determinations are available using our volumetric Karl Fischer titrator Mettler Toledo V20S

Melting point – solid / crystalline compounds are analysed by Büchi B-540 hot-stage melting point apparatus.

Polarimetry – all of the chiral compounds we make are analysed for optical rotation using our polarimeter, an instrument that was recently replaced with a Rudolph Automatic polarimeter AUTOPOL III.

Analytical SFC – chiral supercritical fluid chromatography using our new Waters Prep15 SFC instrument – that also functions in analytical mode – is used as a separation technique. It is used also to determine the enantiomeric purity / enantiomeric excess of the chiral compounds we prepare.

Mass Spectroscopy – an impressive suite of state-of-the-art mass spectroscopy instruments are available at IRBM, allowing our chemists access to a full panel of mass spectroscopy based analysis approaches. This includes HRMS determinations, and mass-mass fragmentations to assist structure determination.

Other – a range of additional analyses are available including Infrared spectroscopy, circular dichroism spectroscopy and are employed on a case-by-case basis depending on a project’s needs.

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