Learning Resources, Databases, and Journals

Mass Spectrometry Resources:

  • A primer on mass spectrometry from Waters
  • What Is Mass Spec – educational videos from the American Society for Mass Spectrometry (ASMS)
  • Ionsource – an educational resource on mass spectrometry with some basic tutorials
  • BasePeak – MS-centered resources from Spectroscopy Now
  • Peptide Calculator – A tool to convert one or three letter peptide sequences to masses, also includes calculation of hydrophobicity, net charge at different pH values, isoelectric point, and the hydrophilicity ratio
  • Oligonucleotide Calculator– A tool for calculating oligonucleotide mass from a sequence
  • SIS MS Tools – Various tools for calculating monoisotopic mass, visualizing spectra, and more
  • Monoisotopic Mass to Formula Calculator – Generates possible molecular formulae from a monoisotopic mass within a specified mass accuracy

Proteomics Resources:

Metabolomics Databases:

  • NPAtlas – Microbial natural products, available in TSV format
  • COCONUT – Animal, plant, and microbial natural products. Available as a MongoDB database
  • MarinLit – Marine natural products database integrating the AntiMarin database
  • Metlin – Small molecule database with MS/MS search tools
  • StreptomeDB – Streptomyces secondary metabolite database with scaffold exploration tools

Proteomics Databases: