RMassBank

Topic: RMassBank (Read 7001 times) previous topic - next topic

RMassBank

July 05, 2017, 08:19:40 PM

Hi,

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.

Thanks

Re: RMassBank

Reply #1 – August 10, 2017, 10:40:56 AM

Hi LN.AW,

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.