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Messages - romanas chaleckis
I agree that from Larissa's screenshots it can not be ruled out that MZmine and MS-DIAL are showing different spectra. However, in case of MZmine the spectrum can be traced back to file "141.mzXML" spectrum #1873. Is there a way to show such precise origin of the MS2 spectra in MS-DIAL? I hope this could help to settle the issue.
would it be possible to include the correlation column in the alignment table?
It was already included in 2.94 developmental version (screenshot attached). It is helpful to find in-source fragments as well as actually correlating metabolites.
I think for quantification with expensive isotopes you are much better off with targeted methods. For untargeted work we use internal standards for technical check (as Stacey suggests). In that case, depending on chromatography and matrix, cheap exogenous compounds not expected in samples can be used- e.g. Good's buffers for HILIC, drugs and pesticides for RP.