==== NIST 12 MS/MS Database and Search Program ====


=== Library Search Software Features ===


<WRAP group> <WRAP 30% column> {{:chemdata:msms_cd.png?nolink&}}</WRAP>


<WRAP 60% column>


    * Search for the exact or isotopic precursor mass.
    * Search for exact fragment ion mass values in NIST EI and MS/MS databases.
    * Import spectra from instrument data system using standard formats including mzXML, mzData, mgf, msp, dta, pkl, JCAMP, etc.
    * Compatible with NIST Peptide MS/MS Databases.
    * Improved ability to identify compounds with few dominant peaks – a common situation for Tandem MS (New).
    * More robust scoring for spectra acquired on imperfectly-tuned instruments (New).


</WRAP> </WRAP>


=== Reference Tandem MS Spectra for Small Molecules ===


<WRAP group> <WRAP round box half column> **Compound Types:** 


    * Metabolites
    * Drugs
    * Phospholipids
    * Surfactants
    * Sugars
    * Peptides
    * …


</WRAP> <WRAP round box half column> **Precursor Types:** 


    * [M+H]<sup>+</sup>
    * [M+2H]<sup>2+</sup>
    * [M-H]<sup>-</sup>
    * [M+Na]<sup>+</sup>
    * [M+NH4]<sup>+</sup>
    * [Cat]<sup>+</sup>
    * [An]<sup>-</sup>
    * [p-H<sub>2</sub>O]
    * [p-NH<sub>3</sub>]
    * …


</WRAP> </WRAP>


<WRAP> **Precursor Ions vs. Release Date**{{:chemdata:precursor_ions_chart.png?nolink&}}</WRAP>


<WRAP group> <WRAP half column>


|Compounds |**6,999**  |
|Precursor Ions |**15,180**  |
|Spectra |**121,586**  |
|Positive Ion Spectra |**~90%**  |
|Negative Ion Spectra |**~10%**  |


</WRAP> <WRAP half column>


^Instrument Type ^Precursor Ions |
|Ion Trap |**12,047**  |
|Collision Cell (QTOF & QQQ) |**9,232**  |


</WRAP> </WRAP>


== Directly Accessible From: ==


    * MassLynx
    * Xcalibur
    * Mass Hunter


The NIST Tandem MS Database and Search Program is available from these **[[:chemdata:msms-distributors|distributors]]**


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