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Thread: How to determine molecular structure of a compound from Mass Spectometry data?

  1. #1 How to determine molecular structure of a compound from Mass Spectometry data? 
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    Jun 2014
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    Mass spectra for total bacterial cell metabolites was acquired using maxis high impact mass spectrometer. I want to find out molecular structure/identity of a particular compound from MS/MS data of a particular ion. How do i do that. Metfrag and metlin software was tried but it didnt help. What else can be tried?


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