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Topic: Spectral Similarities of in-house measured reference compounds quite low (Read 78 times) previous topic - next topic

Spectral Similarities of in-house measured reference compounds quite low

Hi all,
We have performed MSMS matching in a measurement file for certain reference substances, from which the reference MSMS is taken. It would be expected that the spectral similarities would result in 1000, since identical spectra are compared with each other. However, we obtain results that differ significantly from this (see appendix: results for dpc/rdpc: 750 or 880). How can this be?

The detailed procedure was as follows:
1) Export of the respective MS2 spectra from the ABF files of single standard runs (as single txt-files)
2) MS2 spectral data from exported txt-files are merged in in-house spectral library (MSP file)
3.) In order to control, if MSP-file based annotation is working in MS-Dial, this updated MSP-file is regularly used to annotate the reference standards in the standard runs

Thank you very much for your help!
With kind regards
FalcoB