QC: Substructure match - in silico prediction of fragment structures

[robinschmid]

Prediction tools:

• massfrontier
• CMF-ID

QC

• Check how many signals correspond to any sub structure

Challenges

• some abundant signals may not be described?

[robinschmid]

Upload examples from MassFrontier @robinschmid

[nilshoffmann]

matthias