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+ | === New Features in NIST MS Search version 2.2 (June 2014 release) === | ||
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+ | == What's New in the NIST MS Search Program v.2.2 == | ||
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+ | <WRAP center round tip 85%> | ||
+ | - Use of NIST GC Method/ | ||
+ | - Display of relevant RI values in Hit List. | ||
+ | - Import, export and editing compound RI values for user spectrum searches and user libraries. | ||
+ | - An optional new way for the display of structures of derivatives is provided. Display either the derivatized structure or the structure of the precursor compound with a graphical indication of the derivatizing reagent. | ||
+ | - All small molecule mass spectra in NIST libraries have InChIKeys linked to PubChem. These InChIKeys may also be used for searching compound information on the Web or for exact structure search in libraries. | ||
+ | - Importing and displaying Glycan structures in KCF format; adding them to mass spectra in a user library. | ||
+ | - Improve Editing of spectra to include more header information with User spectra in user libraries and accurate m/z values, intensities, | ||
+ | - In-source/ | ||
+ | * Import of in-source tandem spectra, or EI with accurate ion m/z spectra, which do not include a defined m/z of the precursor ion. To import these spectra, select | ||
+ | * In-source/ | ||
+ | * In-source/ | ||
+ | * In-source/ | ||
+ | |||
+ | A complete list of new features can be found in the help file, look at the What's New section. What was new in the previous version of the program can be found [[chemdata: | ||
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+ | </ | ||