Is there a way using MSD ChemStation F.01.03 to compare two different spectra and give a percentage match?
Is there a way using MSD ChemStation F.01.03 to compare two different spectra and give a percentage match?
To compare two different acquired spectra, not from the library.
Hi Emartinez,
There are a couple of ways to do this. The easiest way is using NIST Search. Search the first spectrum using NIST Search, this will make the spectrum visible is NIST. Create a user library in NIST containing this one spectrum. Specify this user library as the only library to be searched in NIST. Search your second spectrum in NIST Search. The two spectra will be compared in both forward and reverse search modes, with a match factor for each. This match factor is essentially a percentage match. If the spectra are similar but not the same, you can add the second spectrum to the same user library for further comparison to the next sample, etc.
This may seem like a lot of steps but it is easier than doing it in Chemstation. If your samples are dirty and the TIC is complex, or if you think there may be overlapping peaks, consider using AMDIS. Library creation and use is very easy and you have deconvoluted or "cleaned" spectra to compare.
best regards,
Trifecta
Hello, I updated the tags to increase visibility. Do you mean two different spectra you acquired or to compare one spectra you acquired with one from a library?