The published version of the library build upon electrospray ionization in negative ion mode contains fragment ion mass spectra of 168 compounds. A summary of compound names, molecular formulas, monoisotopic masses, CAS numbers and Pubchem CIDs is provided.
The published version of the library build upon electrospray ionization in positive ion mode contains fragment ion mass spectra of 1040 compounds. A summary of compound names, molecular formulas, monoisotopic masses, CAS numbers and Pubchem CIDs is provided.
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