| 查看: 1380 | 回复: 10 | ||
| 【奖励】 本帖被评价7次，作者msd2phd增加金币 6 个 | ||
| 当前主题已经存档。 | ||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | ||
[资源]
Agilent NIST05a Libraries
|
||
|
NIST/EPA/NIH Mass Spectral Library 2005 (Agilent NIST05a Libraries) ************************** I have not Registeration Number! Who can share it? Thank You! ************************** NIST/EPA/NIH Mass Spectral Library 2005 By U.S. Department of Commerce Publisher: Wiley Publication Date: 2005-07-22 Product Description: NIST/EPA/NIH Mass Spectral Library is the most popular library for GC/MS instruments, with 190,825 spectra presented. This software offers: * 190,825 EI Mass Spectra * 163,198 compounds, 163,195 structures * 121,112 Retention indices of 25,983 Compounds * 5,191 MSMS Spectra * Spectral search and analysis software ------------------------------------------------------------------------------------------------------------------- NIST Standard Reference Database 1A NIST/EPA/NIH MASS SPECTRAL LIBRARY (NIST 05) and NIST MASS SPECTRAL SEARCH PROGRAM Version 2.0d for use with Microsoft(r) Windows(tm) Agilent Technologies ChemStation Version 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) 1993 74,828 62,235 - - 1998 129,136 107,866 - - 2002 174,948 147,198 - - 2005 190,825 163,198 5,191 25,728 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. http://rapidshare.de/files/39410188/NIST05.zip.html |
回复此楼» 猜你喜欢
324求调剂
已经有12人回复
-
311求调剂
已经有7人回复
-
085404，285分求调剂
已经有3人回复
-
275 求调剂
已经有8人回复
-
调剂
已经有3人回复
-
生物与医药273求调剂
已经有16人回复
-
求调剂
已经有13人回复
-
327求调剂
已经有11人回复
-
274求调剂求调剂
已经有12人回复
-
0703化学
已经有26人回复
7楼2008-06-25 07:07:10
3楼2008-05-16 13:15:43
4楼2008-05-16 15:42:08
5楼2008-05-16 23:19:26
