NIST Library Software

NIST23 includes 394K electron ionization (EI) spectra, with 347K compounds and 47K replicate spectra. That is an increase of 40K new NIST measured and evaluated compounds. NIST23 includes 492K retention index (RI) values for 153K compounds, a 40K increase and AI-RI estimates for all EI compounds. NIST23 also has expanded compound classes.

NIST23 consists of new and enhanced versions of:

• NIST/EPA/NIH Electron Ionization (EI) 
• Mass Spectral (MS) Library
• NIST non-spectral data
• NIST Tandem MS/MS Library
• NIST Mass Spectral Search (MS Search) Program, with AI RI estimates for all EI compounds
• Hybrid Search, for compounds not found in the library and ID confirmation
• NIST GC Method / Retention Index Library 
• MS Interpreter, with major updates
• Automated Mass Spectral Deconvolution and Identification System (AMDIS)

The NIST23 Tandem MS/MS Library contains more than 51K compounds, 60% more than the NIST20 library, with 400K precursor ions and 2.4M spectra. The NIST Tandem MS/MS Library Software includes MS/MS analysis tools: NISTMS, Hybrid Search and MS Interpreter.

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