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METLIN represents the largest MS/MS collection of data with the database generated at multiple collision energies and in positive and negative ionization modes. The data is generated on multiple instrument types including SCIEX, Agilent, Bruker and Waters QTOF mass spectrometers.
The database aims to bridge the gap between agent repositories and studies documenting the effect of antimicrobial combination therapies. Most notably, our primary aim is to compile data on the combination of antimicrobial agents, namely natural products such as AMP. To meet this purpose, we have developed a data curation workflow that combines text mining, manual expert curation and graph analysis and supports the reconstruction of AMP-Drug combinations.