NIST/EPA/NIH MASS SPECTRAL LIBRARY (NIST 05) and NIST MASS SPECTRAL SEARCH PROGRAM Version 2.0d for use with Microsoft(r) Windows(tm)
System requirements
This MS search program is a 32-bit applications and thus requires Windows NT 4.0, Windows 95, 98, Me, 2000 or XP.
To install run the program Setup.exe, and then follow instructions.
This release contains o 190,825 EI spectra for 163,198 compounds o MS/MS library (nist_msms) with 5,191 spectra (new) o Retention index library (nist_ri) with 13,295 compounds (new)
History of the releases:
Release Number of Number of Number of Number of Year spectra (EI) compounds (EI) spectra(MS/MS) compounds (RI)
Some of the latest features in the program and database are:
o New MS/MS browsing window and new MS/MS library
o New Retention index library and retention indexes in Main and Replicates libraries (Retention index library contains only structures, no spectra). Automatic Retention Index estimation from chemical structure (rigth-click spectrum text window, select Properties, Retention Indices.)
o New structural replicates display (in addition to usual CAS number matching) Select matching method in Options, Replicates.
o Structure searching - the program will find all chemical structures similar to the structure of the search spectrum. The searching can be done using structural data from the NIST MS database, from the user database or from a structure drawn in most chemical drawing packages. A structure may be exported to chemical drawing software. Structure similarity search algorithm has been changed, now it includes homologues recognition which, if successful, makes match factor 1000. You will need to rebuild structure search databases in user libraries (as you usually need to do after editing a user library containing structures.)
o Drag and Drop - Data can be dragged and dropped between windows.
o User Library Structures - This feature has been present for some time, but many are unaware of it.
o Compare Views - There are a number of new ways that you can visually compare two spectra.
o Direct interaction with a number of chemical drawing packages - the clipboard can be used with some of them, most can be used by use of intermediate files.
o The NIST MS Search program takes advantages of many normal Windows conventions. Look at the context sensitive options on the right mouse button click and on buttons at the top of the window.
o New, thermodynamics-base MS Interpreter program version 2.0 replaces the previos version. A spectrum with a structure may be sent to MS Interpreter by right-clicking the windows with a mass spectrum and structure and selecting Send To, MS Interpreter.
NIST Mass Spectral DB v.2.part1.rar
迎国庆送壕礼！十月发帖抢大疆云台
【官方邀请】高效液相色谱使用情况有奖调研
喜迎国庆！第十七届原创大赛超级原创日参赛奖励翻倍
丹纳赫四十周年寄语征集领大礼包
