Innovative Software to maximise LC(MS) productivity for physico-chemical measurements

The Challenge

A pharmaceutical physical chemistry group will typically run a variety of assays such as chemical stability, solubility, lipophilicity measurement, PAMPA and binding assays. With the high cost of ownership of LC(MS) systems there is always a need to maximise the return on investment in these systems by running as many different assays on the minimum number of systems to take full advantage of their inherent speed and versatility.

One barrier to achieving these ends is often the limited vendor software which, although generally good for the basic requirements of analysing a single sample or a batch of samples and producing a series of independent (unconnected) basic reports, vendors have little understanding of the specific needs in this area.

Research Stability Assays

Stability assays present a particular set of problems associated with the timescales that may be relevant. These often necessitate an initial high frequency of analysis to capture rather unstable compounds plus a subsequent phase of further, much less frequent analysis typically up to 24h.

The automation of such a protocol is unlikely to be possible with off-the-shelf vendor software requiring a high degree of specialisation and customisation. It thus presents a considerable problem to the user to be able to schedule their analysis appropriately. It also leads to inefficient instrument use during the later phase of experiments with the instrument idle for long periods when it could be used for other assays, by other users, or indeed further stability samples could be added and initiated. However, the management of all this is not supported by standard vendor instrument software.


Although simple qualitative and quantitative (calibrated) calculations and reports are generally well implemented, these assays frequently involve the use of specific calculations such as reaction rates, logD or binding based on retention time or permeability involving the combination of data from multiple samples and, again, this is too specialised for basic software.  Hence users have no choice other than to export data into a separate package, often Excel, and to make calculations there. A significant time-saving could be realised by generating reports containing the required calculated parameters directly from the instrument, with an immediate visualisation of the success of the experiments for the analytical scientist.

The Solution

Click here for a full description of the features and functionality of our software for improving the efficiency of LC(MS) systems and the productivity benefits that it brings.

Further Information

To arrange a discussion and/or webinar to further explore how this software can help with your workflows, including the available customisation options, please contact me on:


Mark PortsmouthComment