Next generation fragmentation prediction software
Thermo Fisher Scientific (Mass Spectrometry)
Will enhance drug discovery through efficient metabolite identification and assist environmental laboratories to detect and cross-match components with contaminants and environmental degradants
Thermo Electron has released a significant new version of itsMass Frontier software for structure elucidation and datainterrogation and management.
Designed to function withThermo's Metabolite ID software and harnessing theopportunities offered by all the Finnigan mass spectrometers,Mass Frontier now allows more advanced utilisation of data andprovides improved, outstanding prediction capabilities.
Thesoftware will enhance drug discovery research with more efficientmetabolite identification and assist environmental laboratoriesto detect and cross-match components with contaminants andenvironmental degradants.
Acquiring data dependent scans with thenew Finnigan LTQ and LTQ FT has never been faster or easier.
Thisinformation-rich data can be stored as simplified tree structuresand filtered in a variety of ways.
Copying individual scans orMSn spectra is no longer necessary, as all data - including datathat is annotated with structures or text - can be deposited intoa common searchable repository of information.
Mass Frontiercomprises a new fragmentation library that complements thegeneral fragmentation rules set in earlier versions of thesoftware.
It now boasts over 19,000 literature reviewedfragmentation mechanisms.
In addition, its predictivefragmentation functionality is now able to support negativeionisation, adducts, clusters and unspecified groups.
In additionto the enhanced database manager, which presents a new way tostore and search spectra, new algorithms for the componentdetection of LC/MS/MS data are able to revolutionise howmetabolism data is interrogated.
Furthermore, fuzzy clusteringhas been added as a third method of classification alongsideprinciple component analysis and neural works.
Tracefinder 1.1 software is designed for clinical research, forensic toxicology, food safety and environmental testing laboratories performing routine, high-throughput quantitation by LC-MS.
Thermo Fisher Scientific announces the integration of Matrix Science's Mascot search engine for protein identification with its BioWorks software
Thermo Fisher Scientific has announced the integration of Matrix Science's Mascot search engine for protein identification with its BioWorks software
Primarily targeted at any current users of electrospray ionisation for molecular weight determination of large biomolecules such as intact proteins
TorchV10lite is a free 3D molecular viewer, sketcher and editor.