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Topics - DeFelice

1
MS-DIAL / Assigning Class ID using Console App?
Does anyone running MS-DIAL command line know how to assign class IDs to samples (useful in filtering at alignment)?  I assume it could be generated in a .txt and uploaded, but there is nothing in the FAQ or documentation on the MS-DIAL website.

Thanks in advance!
Brian
2
MS-DIAL / MS-Dial lipid RTs: Is there a published LC method RTs are derived from?
Can someone please provide a reference for the exact chromatography conditions used to generate the RTs embedded in the default MS-Dial lipids database?  It would be very nice to just use that exact chromatography instead of RT correcting the values from my current method. 

Thanks!
Brian
3
MS-DIAL / MS/MS spectra selection for library matching - MS-DIAL 4.24
Hi Hiroshi,

I am processing time-course data right now (but this is applicable for all studies).  I am finding a number of features with poor spectral matching in the alignment result, but when I check the "Spectrum reference file name" column I find the spectra are commonly from samples with very low levels of the metabolite.  If I then go to a file with high levels of that same feature I find a very highly scored match.

So my question is:  Is there a way to force MS-DIAL to select the MS2 spectra (in the aligned peaks list) from the sample with the most intense response?

Perhaps a relevant note:  This feature found using an mz-RT list.

Thanks,
Brian