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Pages in this section: A92 A93
NOTE: ITEM SUBSTITUTED. NIST 2005 is no longer sold because the newer NIST 2011 has replaced it. See NIST 2011.
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A93
NIST MS Library and Software
Scientific Instrument Services, Inc.
™
FAX: 908-806-6631www.sisweb.com/catalog/08/A93
Adding User-Drawn Structures
Users may import their own chemical structures with selected
user spectra. This is done in the Tools/Librarian section of the
program by connecting a user-drawn structure in standard MOL-file
format with a user spectrum. As before, if a user spectrum is given
its CAS registry number and the Main Library has a structure for it,
this structure will automatically be shown with user spectra unless
the user has attached an imported structure to the spectrum.
Aids for Automation and Reporting
A variety of methods for automated searching and reporting of
results are available. From the File menu selection, if Print
automation is on, printing will follow each library search. A set of
print options is also available from the “User Search Options”
Window (select Search, then User spectrum). This is of particular
use when using this NIST Program with other data acquisition pro-
grams.
Automated Mass Spectrometry
Deconvolution and Identification
System (AMIDIS)
E
xtract pure component spectra from complex GC/MS or
LC/MS data files and search against specialized libraries
or the NIST library. This module was developed at the
National Institute of Standards and Technology (NIST) for the criti-
cal task of verifying a major international treaty, the Chemical
Weapons Convention. After two years of development and exten-
sive testing it is now being made available to the general analytical
chemistry community. Identification can be aided by internal stan-
dards and retention times. Libraries can be built directly from ana-
lyzed data files or from spectra in the NIST/EPS/NIH Database.
AMDIS can also serve as a preprocessing tool for the GC/MS data
files, automatically performing noise reduction for all components. It
permits traditional library searching for any selected component. A
flexible interface is provided to assist the analysis of complex matri-
ces.
Included as a separate utility, AMDIS attempts to reconstruct
original mass spectra for individual components in arbitrarily com-
plex GC/MS and LC/MS reconstructed total ion current (RTIC) chro-
matograms; and, if a target library is provided, can directly identify
target compounds. AMDIS is especially useful when an RTIC chro-
matographic peak represents multiple components. Regardless of
each component’s concentration, pure mass spectra are deconvo-
luted for analyses. AMDIS was developed by NIST in order to meet
the rigorous requirements of the Chemical Weapons Convention.
AMDIS was tested against more than 30,000 GC/MS data files
accumulated by the EPA Contract Laboratory Program without a
single false-positive for the target set of known chemical warfare
agents. While this level of reliability may not be required for all lab-
oratories, this shows the degree to which the algorithms have been
tested.
Part No.
Description
541010 Part #541010--Click to request quote
DISCONTINUED
Obsolete part number. New number is 641010 Part #641010--Click to request quote
DISCONTINUED
Unit of Measure: EA
. Please call for ordering (1-908-788-5550).
Unit of Measure: EA
Est. Ship Weight=2.25 lbs
NIST 05 Library & Search Program
✝
,
Standard version for most MS data systems.
541010UG Part #541010UG--Click to request quote
DISCONTINUED
Obsolete part number. New number is 641010UG. Please call for ordering (1-908-788-5550).
Unit of Measure: EA
Est. Ship Weight=2.25 lbs
NIST 05 Upgrade from NIST 98/02
✝
541010HP Part #541010HP--Click to request quote
DISCONTINUED
Obsolete part number. New number is 641010HP. Please call for ordering (1-908-788-5550).
Unit of Measure: EA
Est. Ship Weight=2.25 lbs
NIST 05 Library & Search Program
for Agilent ChemStation*
541010HPUG Part #541010HPUG--Click to request quote
DISCONTINUED
Obsolete part number. New number is 641010HPUG. Please call for ordering (1-908-788-5550).
Unit of Measure: EA
Est. Ship Weight=2.25 lbs
NIST 05 Upgrade for Agilent ChemStation*
✝
- Standard version includes NIST database in native NIST format.
NIST MS search software integrates directly with many MS data sys-
tems, or you can import spectra to be searched through AMDIS.
* - Chemstation version is identical to standard version but also
includes NIST database in Chemstation (.L) library format for direct
integration with Chemstation PBM library searching
Related information may be found on the following pages of our web site:
PageParts
The NIST 11 Mass Spectral Library (NIST11/2011/EPA/NIH) and NIST 08 (NIST08/2008)741010, 741010HP, 741010HPUG, 741010MF, 741010MFUG, 741010UG
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