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The International Chemical Identifier (InChI, pronounced / ˈ ɪ n tʃ iː / IN-chee) [3] is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web.
GC–MS is used for the analysis of unknown organic compound mixtures. One critical use of this technology is the use of GC–MS to determine the composition of bio-oils processed from raw biomass. [29] GC–MS is also utilized in the identification of continuous phase component in a smart material, magnetorheological (MR) fluid. [30]
8,000,000 [5] ENCS Japanese Existing and New Chemical Substances Inventory: regulated chemicals "ENCS (in Japanese)". Evaluated Kinetic Data IUPAC: rate constants curated "Evaluated Kinetic Data". FDA SRS Food and Drug Administration Substance Registration System U.S. National Library of Medicine: ingredients in FDA regulated products UNII inchikey
AnalyzerPro is a vendor-independent software application from SpectralWorks for processing mass spectrometry data. It can process both GC-MS and LC-MS data using qualitative and quantitative data processing and is used in metabolomics with MatrixAnalyzer for the comparison of multiple data sets.
The higher the diffusivity (of one substance with respect to another), the faster they diffuse into each other. Typically, a compound's diffusion coefficient is ~10,000× as great in air as in water. Carbon dioxide in air has a diffusion coefficient of 16 mm 2 /s, and in water its diffusion coefficient is 0.0016 mm 2 /s. [1] [2]
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 simplest form of a group-contribution method is the determination of a component property by summing up the group contributions : [] = +.This simple form assumes that the property (normal boiling point in the example) is strictly linearly dependent on the number of groups, and additionally no interaction between groups and molecules are assumed.
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).