Anjana Elapavalore, Todor Kondić, Randolph R. Singh, Benjamin A. Shoemaker, Paul A. Thiessen, Jian Zhang, Evan E. Bolton, Emma L. Schymanski

Adding open spectral data to MassBank and PubChem using open source tools to support non-targeted exposomics of mixtures

  • Management, Monitoring, Policy and Law
  • Public Health, Environmental and Occupational Health
  • Environmental Chemistry
  • General Medicine

Adding mass spectra from complex mixtures of chemicals relevant for exposomics to open spectral libraries such as MassBank and chemical databases like PubChem empowers identification efforts for non-target high resolution mass spectrometry workflows.

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