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Links to useful sites for
the elucidation of mass spectra
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http://www.hyphenms.demon.nl/index.html
is the internet site of Dr. W. Niessen. He is author and
editor of a lot of books and special issues related to
LC-MS.
His company HYPHENMS provides expert consultancy and training at all levels
in Analytical Mass Spectrometry in general and in particular in principles, instrumentation and applications of combined liquid
chromatography - mass spectrometry (LC-MS)
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http://chemdata.nist.gov
is the internet site of the National Institute of Standards.
For users of the NIST02 version:
To get the most current version of the NIST MS
Search Program, download NIST02_upg.zip from:
http://chemdata.nist.gov/mass-spc/ftp/mass-spc/v1_7/NIST02_upg.zip
Unzip the contents of this file to your NIST MS
Search Program directory
(\NIST02\MSSearch by default).
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http://www.riza.nl/gcms/
is the internet site of a very useful database developed in our
lab.
The RIZA GCMS database is a tool for data
exploration, retrospective searching and archiving, of previously
acquired GCMS data files.The database and expert system
was developed in the years 1995 -2002 as a tool to facilitate
GCMS screening. The database was programmed in Microsoft access
2000. GCMS screening at RIZA is aimed at industrial contaminants,
pesticides, PCBs, PAHs, pharmaceuticals: in fact at all
contaminants that may be found in the environment, whether they
are listed in monitoring programs or not. But the database can be
used in many other instances where efficient data handling and
interpretation of GCMS data is needed. The only limitation is that
the compounds may be measured by GCMS. At RIZA the database is
used in combination with six different GCMS systems located in
different parts of the country using Agilent, Thermo and
Varian GCMS systems.
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http://www.highchem.com/
HighChem, Ltd. is an international software company that
focuses on the growing area of computer-aided chemistry. Mass
Frontier™ is a new generation software for the management
and interpretation of mass spectral data running under Windows
NT 4.0 operating system (Windows 95, 98 version is available
only for 60 days evaluation period). Its convenience is
complemented by a full set of powerful tools and proven
database architecture that streamlines processing, organizing
and interpretation of mass spectra whether EI, CI, ESI or APCI
techniques are applied.
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| http://users.chartertn.net/slittle/
is the internet site of Dr. James Little. He provides, among
others, information about mass spectral libraries and the NIST
library.
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| http://www.sisweb.com/cgi-bin/mass10.pl
can be used to calculated isotope patterns
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| http://chemfinder.cambridgesoft.com/
is a chemical database.
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http://www.chemistry.gatech.edu/stms/
is the sci.techniques.mass-spec
home page. This page currently contains the sci.techniques.mass-spec
archives and links
to related documents and mass spectrometry sites.
Sci.techniques.mass-spec is open to discussion for all areas of mass
spectrometry. Topics may include, but are not limited to:
Ionization, Mass analysis, Mechanisms, Hyphenated techniques, and
Troubleshooting
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