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MS/MS Spectral Libraries

HighChem's spectral library collection contains over 1,000 compounds, which include human and veterinary pharmaceuticals, and natural compounds. We create high quality spectral and structural data based on our novel database concept. The library contains spectral trees (MSn data) acquired by ESI ionization in both the positive and negative ion mode. We are continually extending the data collection and our focus is on the human metabolome.

To learn more about this unique data collection, please refer to our published work:

  • Evaluation of ESI-MSn Ion Trap and MALDI-MSn Ion Trap/Reflectron TOF Mass Spectra (n=1-3) for Incorporation into a Searchable Database

  • A new MSn-based concept with software implementation

  • A New MSn Database Concept With Sample Library

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