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Topic: Error in grouping Br and Cl isotopes (Read 147 times) previous topic - next topic

Error in grouping Br and Cl isotopes

Hi

In looking at some features in a data set that I had identified in other software as containing Cl and Br, I found that MS-DIAL sometimes identified the isotopic peaks as separate features, even with "Consider Cl and Br elements" checked. Some examples are below in screenshots. There is a feature with two Br where the M+4 is not included in the monoisotopic alignment spot, and is a separate alignment spot. There is a feature with one Cl where the M+2 is not included in the monoisotopic alignment spot, and is a separate alignment spot. Finally, there is an example of the Cl feature in MS-FINDER, where because of this the M+2 is not found and the molecluar formula cannot be fit to the correct isotope pattern.

Does anybody know any tricks for improving the grouping of Cl and Br isotopes with the monoisotopic alignment spot?

Thanks,
Lisa