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Vendor specific software / Problems while using Compound Discoverer 3.2
I have a question regarding the processing of MS metabolomics data recorded for cancer cell intracellular metabolites using a ZipChip electrophoresis unit coupled to a Q exactive Plus MS.
I am analyzing the data using Compound Discoverer 3.2 adopting an Untargeted Metabolomics workflow.
I have the following issues that I hope you can help me with:
1- Most of the obtained spectra cannot be aligned.
2- Some metabolites were identified twice or three times within the same spectra at different RT.
3- Many metabolites (especially amino acids) were identified separately and software cannot group them. For example, glutamic acid was identified as four separate entries across all samples.
Thank you for taking the time to read this and I Look forward to your reply.