Session 8
Computational Mass Spectrometry

Programme

• 10:30 – 11:00 30 Min. 0 Min.

  • Plenary lecture

  SIRIUS and beyond: Turning tandem mass spectra into metabolite structure information

  • Sebastian Böcker (Jena)
• 11:00 – 11:20 15 Min. 5 Min.

  • Lecture

  Chemical profiling of fingerprints and illicit drug desorption using SICRIT Ion source: A rapid analysis approach

  • Ciara Conway (Garching, DE)
  • Markus Weber (Garching, DE)

   Computational mass spectrometry
• 11:20 – 11:40 15 Min. 5 Min.

  • Lecture

  MS1-base peptide identification and quantification by sparse encoding

  • ZIxuan Xiao (Freising, DE)

   Computational mass spectrometry
• 11:40 – 12:00 15 Min. 5 Min.

  • Lecture

  Streamlining MS data analysis and automatic spectral library generation in MZmine

  • Robin Schmid (Prague, CZ)

   Computational mass spectrometry