Automated Scale-up from Analytical to Preparative LC/MS to accelerate compound purification and isolation

Open Access software for compound purification

Step 1
Generic analytical LC screening
Using an open access workflow, analysts simply select a preconfigured analytical LC/PDA/MS method, submit their sample for analysis and review the results using Open Solution Purification software.
System managers can design the system to support multiple generic analytical LC methods including pH switching. The pH switching support includes options for column parking and extensive detox washing to help column management and extend column life time.

Step 2
Reviewing generic analytical LC and submitting samples for preparative LC isolation
Shimadzu’s purification software automatically processes the generic analytical LC data and checks for co-elution or partial separation.
A color coded results table helps to accelerate decisions;

  • Green
    No co-elution has been detected and the analysis can go forward for preparative isolatio

  • Amber
    Data review - the target compound retention space is compromised by another compound(s)

  • Red
    No co-elution has been detected and the analysis can go forward for preparative isolation

Generic analytical LC method screening
The software has also been designed to support pH switching methods.
Dependent upon the chemical space being considered, it may be necessary to review the effects of pH on the target compound isolation.
Analysts can review the analytical LC data and select the best separation for preparative LC isolation.
All column washes and pre-conditioning methods are built into the process to extend column life times and ensure stability in the LC separation.
(In this example, the high pH separation resulted in less peak tailing compared to low pH method

Generic analytical LC data review
The analytical LC results review allows analysts to see all chromatographic data including mass spectrum and PDA scan data.
If the target compound has a spectral integrity score above a user defined threshold it is considered to be a single compound (a value close to 1 indicates a single compound is present over the retention window of the target compound) . In the case of a partial LC separation, the spectral integrity score will be lower as the mass spectrum scan data across the target compound will not be consistent.

Reviewing preparative LC isolation
The fraction results browser allows analysts to simply track samples and fractions reviewing the LC/PDA/MS data for each collected fraction. Each data stream is shown for prep LC/PDA/MS analysis together with a color coded autosampler plate and fraction collector.

Color coded autosampler tray;

  • Green
    Collected target compound purity is above a user defined threshold

  • Amber
    Collected target compound purity does not meet all user defined thresholds and requires review

  • Red
    The fraction collected fails to meet the pre-defined criteria

Report generation
A single click report can be generated from the fraction results browser showing the collected fractions and corresponding PDA/MS data.

A pdf report can also be generated as a single click operation.

For Research Use Only. Not for use in diagnostic procedures.

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