NIST Mass Spectral Library & Software (Catalog A72)

NIST Mass Spectral Library & Software

A72

Phone: 908-788-5550

www.sisweb.com

The NIST Mass Spectral Library (NIST MS), version 2011, is the world’s most widely used and trusted mass spec reference library, which

no mass spectrometrist should be without. This massive library has been developed over three decades at the National Institute of Stan-

dards and Technology (NIST), in which each spectrum was fully evaluated for correctness by a team of experienced mass spectrometrists.

NIST11 MS includes these components:

Mass Spectral Library of Electron Ionization (EI) (version 2011)

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243,893 spectra (70 eV EI) of 212,961 compounds, covering a broad range of compounds below 800

Daltons, along with chemical name, synonyms, formula, molecular structure (.mol), CAS number, and

estimated GC retention index.

Mass Spectra Library of MS/MS (version 2012*)

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Library of small molecules , di- and tri-peptides, consisting of 70,491 collision cell spectra and 9,930 ion

trap spectra of 11,634 total precursor ions and 5,999 total compounds.

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Library of peptides, consisting of 38,187 collision cell spectra and 2,978 ion trap spectra of 3,546 total

precursor ions and 1,000 total compounds.

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Increased by over a factor of six from NIST ‘08.

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This database can also be purchased separately.

Gas Chromatography/Retention Indices Library

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224,038 Kovats GC retention index values, GC column conditions, and literature citations for 21,847

compounds on both non-polar and polar columns.

•

This database can also be purchased separately.

Mass Spectral Software

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NIST MS Search Program: For searching and browsing the above databases, including library searching

unknown user acquired spectra against the database.

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AMDIS Program: Extracts noise-free component spectra from GC/MS data.

•

MS Interpreter Program: Assists in mass spectra analysis and interpretation.

Libraries are available in NIST format (used by most systems including Thermo Xcalibur), Agilent ChemStation .L,

Shimadzu, and others.

Part No.

Description

741010 Part #741010—Click for details
Obsolete part number. New number is 841010. Please call for ordering.
Unit of Measure: EA

Standard Verison (search programs+libraries in NIST format)

741010HP Part #741010HP—Click for details
Obsolete part number. New number is 841010HP. Please call for ordering.
Unit of Measure: EA

ChemStation Version (search programs+libraries in NIST format+libraries in Agilent ChemStation formats)

741010MF Part #741010MF—Click for details
Obsolete part number. New number is 941010MF. Please call for ordering.
Unit of Measure: EA
Est. Ship Weight=0.4 lbs

Multiformat Verison (search programs+libraries in NIST format+libraries in multiple formats including Shimadzu)

741010MSMS Part #741010MSMS—Click for details
Obsolete part number. New number is 841010MSMS. Please call for ordering.
Unit of Measure: EA

Only MS/MS Library and search programs

741010GC Part #741010GC—Click for details
Obsolete part number. New number is 841010GC. Please call for ordering.
Unit of Measure: EA

Only GC Library and search programs

UPGRADES

741010UG Part #741010UG—Click for details
Obsolete part number. New number is 841010UG. Please call for ordering.
Unit of Measure: EA

Standard Version, UPGRADE from any previous version of NIST

741010HPUG Part #741010HPUG—Click for details
Obsolete part number. New number is 841010HPUG. Please call for ordering.
Unit of Measure: EA

ChemStation Version, UPGRADE from any previous version of NIST

741010MFUG Part #741010MFUG—Click for details
Obsolete part number. New number is 941010MFUG. Please call for ordering.
Unit of Measure: EA
Est. Ship Weight=0.4 lbs

Multiformat Version, UPGRADE from any previous version of NIST

*The MS/MS database in NIST 2011 was expanded in 2012.