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Topic: About the identification result. (Read 54 times) previous topic - next topic

About the identification result.

Hi All,
 I found something wierd about the identification result of  my LC-MS/MS profiling data,  The identification score cut off was set as 90% (see the attached screen shot) and a list of metabolites were identified. However, the annotation  seems  performed only based on MS1 ions. All identified metabolites in the exported alignment result table were annotated as false "MS/MS matched"  while the  total  scores were mostly more than 90 (see attached table). I have checked some of the annoted candidates and  make sure that the MS2 spectral was not matched well with  the reference spectral. I can't understand the scoring rules because I think the candidate MS/MS spectral should matched very well with the library spectral when  a high score was given. Could you please help me to remove this confusion?

Thanks

Yong Li