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from 275 data sources "ChemSpider". 88,000,000 ChemIndex: chemical database substances CAS Search; suppliers "Chemindex". Clival Database Clinical Trail Database Clinical Trail Data Solutions 50,000 molecules clinical trail data Phase 0 to IV indications "clival". CMNPD Comprehensive Marine Natural Products Database Peking University
This software analyzes differential quantification data and is assisted by tools and visualization options. It is possible to process label-free and tandem mass-tagged data. [83] pymzML Open source: Python module to interface mzML data in Python, based on cElementTree with additional tools for MS-informatics. [84] Pyteomics Open source
A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures , spectra, reactions and syntheses, and thermophysical data.
5 Spectral data. 6 References. ... Download QR code; Print/export Download as PDF; Printable version; ... "NIST Standard Reference Database". National Institute of ...
SIRIUS is a Java-based open-source software for the identification of small molecules from fragmentation mass spectrometry data without the use of spectral libraries. It combines the analysis of isotope patterns in MS1 spectra with the analysis of fragmentation patterns in MS2 spectra. SIRIUS is the umbrella application comprising CSI:FingerID ...
The SPC file format is a file format in which all kinds of spectroscopic data, including among others infrared spectra, Raman spectra and UV/VIS spectra. The format can be regarded as a database with records of variable length and each record stores a different kind of data (instrumental information, information on one spectrum of a dataset ...
The National Software Reference Library (NSRL), is a project of the National Institute of Standards and Technology (NIST) which maintains a repository of known software, file profiles and file signatures for use by law enforcement and other organizations involved with computer forensic investigations.
A peptide spectral library is a curated, annotated and non-redundant collection/database of LC-MS/MS peptide spectra. One essential utility of a peptide spectral library is to serve as consensus templates supporting the identification of peptides and proteins based on the correlation between the templates with experimental spectra. [citation ...