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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.
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.
Chemical structure, physicochemical properties, human health and ecotoxicological data curated "PPDB". 2000 [10] Probes and Drugs ProCarDB Prokaryotic Bacterial Carotenoid DataBase IMTECH: spectra references "ProCarDB". 1800 PubChem: National Library of Medicine National Center for Biotechnology Information from 748 data sources
Mass spectrometry is a scientific technique for measuring the mass-to-charge ratio of ions. It is often coupled to chromatographic techniques such as gas-or liquid chromatography and has found widespread adoption in the fields of analytical chemistry and biochemistry where it can be used to identify and characterize small molecules and proteins ().
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]
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 set of images in the MNIST database was created in 1994. Previously, NIST released two datasets: Special Database 1 (NIST Test Data I, or SD-1); and Special Database 3 (or SD-2). They were released on two CD-ROMs. SD-1 was the test set, and it contained digits written by high school students, 58,646 images written by 500 different writers.
In gas chromatography, the Kovats retention index (shorter Kovats index, retention index; plural retention indices) is used to convert retention times into system-independent constants.