Hello,
Can anyone advise me where to find an example(s) of impurities profiling data (.raw files) acquired by liquid chromatography/mass spectrometry? Ideally, I would like to have several stages and a few replicates. Maybe there is a repository, where community uploads such data, that I am not aware of, or someone having them would be so kind to share them with me.
Thanks!
Hello,
I am sure you are aware of MaConda: http://www.maconda.bham.ac.uk/downloads.php and the data downloadable in .csv etc. formats for specific contaminants and the paper: https://academic.oup.com/bioinformatics/article/28/21/2856/236679/MaConDa-a-publicly-accessible-mass-spectrometry
Would be good to write to Ralf Weber for the source files.
Unsure if people put such data on DBs as .raw files but then you can go to the "Blank" files in submitted large scale metabolomics studies at MetaboLights:http://www.ebi.ac.uk/metabolights/ or MetabolomicsWorkBench:http://www.metabolomicsworkbench.org/ for example: http://www.ebi.ac.uk/metabolights/MTBLS218#protocols and so on.....
Because the "Blank" or "Solvent runs" in such untargeted data sets would constitute of impurities of various sources during sample preparation, chromatography and mass-spec runs.
Thanks,
Biswa
Impurities or related substances found in drug products are company specific 'confidential information' and not deposited or shared. It depends on your API or target molecule, the formulation, time, and temperature (thus stability, kinetics, and the Arrhenius plot). I can only refer you to the ICH guidelines on related substances (ICH Q3) and stability.
Hello,
I am sure you are aware of MaConda: http://www.maconda.bham.ac.uk/downloads.php and the data downloadable in .csv etc. formats for specific contaminants and the paper: https://academic.oup.com/bioinformatics/article/28/21/2856/236679/MaConDa-a-publicly-accessible-mass-spectrometry
Would be good to write to Ralf Weber for the source files.
Unsure if people put such data on DBs as .raw files but then you can go to the "Blank" files in submitted large scale metabolomics studies at MetaboLights:http://www.ebi.ac.uk/metabolights/ or MetabolomicsWorkBench:http://www.metabolomicsworkbench.org/ for example: http://www.ebi.ac.uk/metabolights/MTBLS218#protocols and so on.....
Because the "Blank" or "Solvent runs" in such untargeted data sets would constitute of impurities of various sources during sample preparation, chromatography and mass-spec runs.
Thanks,
Biswa
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