Bruker NIST Mass Spectral Library

The “Bruker NIST 2020 Mass Spectral Library” is a product of the National Institute of Standards and Technology (NIST), redistributed by Bruker. The library contains the complete NIST package and covers compounds from Marbofloxacin antibiotic, Naphthalene E&L, APCI, Luteolin glucoside flavone, Retinoic acid metabolite, Fuc-GM1(d18:1/16:0) glycolipid, and more. It is subdivided into several spectral libraries:  1) The NIST/EPA/NIH Mass Spectral Library: This release contains 350,704 electron ionization (EI) spectra (306,643 compounds, 43,774 replicate spectra) – an increase of 39,729 more compounds than NIST17.  2) The Gas Chromatography Retention Index and Methods Library: This contains 447,289 retention indices (RI) values for 139,382 compounds, an increase of 40K compounds. Further 114,629 compounds with both RI & MS are included.  3) The NIST Tandem Mass Spectral Library of small molecules: This contains 1,320,389 spectra of 185,608 precursor ions from 30,999 chemical compou