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NIST MS/MS Library 2012 (previously 2011)

New! A free NIST MS/MS 2012 update is available to users of both NIST MS/MS 2011 (MS/MS only) and NIST MS 2011 (complete version). Contact Us, providing your name, organization, and invoice number (or similar identifying details), as well as a shipping address, and we can ship you a new 2012 CD (or provide you a 200 MB electronic download if preferred). Shipping charges may apply internationally.

The NIST MS/MS Library 2012 is a collection of MS/MS Spectra and search software. The previous 2011 version of this MS/MS database was included in the complete NIST MS 2011 database (of EI, MS/MS, and GC data), but the MS/MS portion can also be purchased separately, as described here. The search software is based on the widely used NIST MS Search.

Main Features

This product is a subset of the NIST Standard Reference Database 1A, NIST/EPA/NIH MASS SPECTRAL LIBRARY (NIST '11), and the MS/MS database has also been expanded for 2012. It also includes the NIST MASS SPECTRAL SEARCH PROGRAM Version 2.0g for use with Microsoft(R) Windows(TM).

Statistics

This release contains MS/MS libraries (nist_msms and nist_msms2) with 121,586 spectra of 15,180 ions.

History of the releases:
========================
Release    Number of       Number of
Year       spectra(MS/MS)  ions (MS/MS)

2012      121,586          15,180
2011       95,409          12,568
2008       14,802           5,308
2005        5,191           1,920

NIST 2012 Detailed Stats:

MS/MS library nist_msms (small molecules, di and tri peptides)
========================
                       #spectra       #compounds         #ions
collision cell           70,491          4,210           6,530
Ion Trap                  9,930          4,806           9,069
Total                    80,421          5,999          11,634

MS/MS peptide library nist_msms2 (commercially available peptides)
================================
                       #spectra       #compounds         #ions
collision cell           38,187            899           2,702
Ion Trap                  2,978            917           2,978
Total                    41,165          1,000           3,546
 
MS/MS libraries combined
=========================
                       #spectra       #compounds         #ions
collision cell          108,678          5,109           9,232
Ion Trap                 12,908          5,723          12,047
Total                   121,586          6,999          15,180

Older NIST 2011 Detailed Stats:

Many other NIST MS/MS Peptide libraries are available for download free of charge at http://peptide.nist.gov .

System requirements:

This MS search program is a 32-bit Unicode application and thus requires Windows NT 4.0, 2000, XP, Vista, or Windows 7. Note: MS Interpreter is not compatible with Windows NT 4.0.

New features of the program and database are:

Some noteworthy features of the program and database are:

Additional Details

Evaluation: You can get some idea of the operation from the NIST 11 full version demo, but that only contains sample EI spectra, not MS/MS spectra. You may instead download the NIST peptide demo, which contains a sample MS/MS library of peptides (but not small molecules). See also screenshots of the small molecule MS/MS library library in NIST MS/MS 2012.

Ordering

Part No. Description UOM est
wt.
Quantity
In Stock
Price Quantity
to order
741010MSMS NIST MS/MS 2012 Database (MS/MS only)EA 0 0[*L7]Lead time for this out-of-stock item is approximately 7 days. $500.00[*B][*B] 3 or more: 5% off; 10 or more: 7% off.
Bulk quantity discounts on marked items:
[*B] 3 or more: 5% off; 10 or more: 7% off.
[*L7] Lead time for this out-of-stock item is approximately 7 days.
shopping cart Ordering information. International (non-US) prices available through your local dealer.
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