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NIST created this software for GC/MS data in various formats. It deconvolutes coeluting mass spectra, displays mass chromatograms, calculates retention indexes, allows for target compound libraries, and will export spectra to the NISMS Mass Spectral Search Program. Analyst Proprietary
Batch processing is enabled via Simple Object Access Protocol (SOAP)-based web services while web-based data access services expose particular data base entities adapting Representational State Transfer (ReST) principles and mass spectral standards such as NIST-MSP and JCAMP-DX. The GMD visualise quantitative metabolite pool size changes data.
OpenChrom is an open source software for the analysis and visualization of mass spectrometric and chromatographic data. [4] Its focus is to handle native data files from several mass spectrometry systems (e.g. GC/MS, LC/MS, Py-GC/MS, HPLC-MS), vendors like Agilent Technologies, Varian, Shimadzu, Thermo Fisher, PerkinElmer and others.
The use of 70 eV facilitates comparison of generated spectra with library spectra using manufacturer-supplied software or software developed by the National Institute of Standards (NIST-USA). Spectral library searches employ matching algorithms such as Probability Based Matching [ 13 ] and dot-product [ 14 ] matching that are used with methods ...
NIST Webbook NIST Chemistry Webbook National Institute of Standards and Technology: spectra CAS ionization energy mass spectrum, InChI C+CAS "NIST Webbook". NMRShiftDB University of Cologne: organic nuclear magnetic resonance spectra "NMRShiftDB". 43,581 NORMAN SLE NORMAN Suspect List Exchange environmental monitoring "NORMAN SLE". 110,000 OMG
The Kovats index applies to organic compounds.The method interpolates peaks between bracketing n-alkanes.The Kovats index of n-alkanes is 100 times their carbon number, e.g. the Kovats index of n-butane is 400.
Mass spectrometer (MS), also called GC-MS; highly effective and sensitive, even in a small quantity of sample. This detector can be used to identify the analytes in chromatograms by their mass spectrum. [14] Some GC-MS are connected to an NMR spectrometer which acts as a backup detector. This combination is known as GC-MS-NMR.
This table denotes, if a cryptography library provides the technical requisites for FIPS 140, and the status of their FIPS 140 certification (according to NIST's CMVP search, [27] modules in process list [28] and implementation under test list). [29]