Metabolomics Society Forum

Databases => MassBank => Topic started by: on July 05, 2017, 08:19:40 PM

Title: RMassBank
Post by: on July 05, 2017, 08:19:40 PM

I'm currently using RMass Bank to create records from analysis of reference compounds.
I was wandering if it is possible to match spectra extracted from samples against the MBrecords created  from pure reference compounds.

Title: Re: RMassBank
Post by: meow on August 10, 2017, 10:40:56 AM

sorry for the delay. This functionality is not yet in RMassBank itself, however you can use RMassBank to extract spectra and the OrgMassSpecR functions for comparison (SpectrumSimilarity). We have in-house adapted functions for this but it's not yet all there.