https://chemdata.nist.gov/dokuwiki/ 2026-05-26T10:06:19+00:00 https://chemdata.nist.gov/dokuwiki/ https://chemdata.nist.gov/dokuwiki/lib/tpl/ad-hominem/images/favicon.ico text/html 2026-05-08T16:49:59+00:00 Anonymous (anonymous@undisclosed.example.com) https://chemdata.nist.gov/dokuwiki/doku.php?id=ei_search_program_demo&rev=1778273399&do=diff NISTMS EI Search Program (Demo) These link to fully functional software and documentation for the NIST Mass Spectral Search Program (Version 2.3) of 2017. [Download installation program] [Download manual] It also includes AMDIS (gc/ms Automated Deconvolution and Identification System) and MS Interpeter (spectrum/structure correlation) and Lib2NIST (text file to NIST library conversion) programs. text/html 2026-05-11T13:16:47+00:00 Anonymous (anonymous@undisclosed.example.com) https://chemdata.nist.gov/dokuwiki/doku.php?id=free_ei_libraries&rev=1778519807&do=diff Free EI Libraries NIST Plant Unconfirmed EI Library [Plant EI library] composed of spectra of 529 phytocompounds not in the main NIST library. These were derived from GC/MS analysis of a variety of plants and confirmed by literature publications which are cited in the spectra. Publications generally based identification on NMR determinations after chromatographic separation. Measured and compiled by Rabe Andriamharavo in the NIST MS Data Center text/html 2026-05-11T13:59:33+00:00 Anonymous (anonymous@undisclosed.example.com) https://chemdata.nist.gov/dokuwiki/doku.php?id=free_tandem_libraries_utilities&rev=1778522373&do=diff Free Tandem Libraries/Utilities Plasma & Urine Reference Materials 8 Annotated Recurrent Unknown Spectra (Hybrid IDs) Libraries Cited in Publications 6 in Bottom section Environmental EPA Glycans PC-based Glycan fixed libraries On-line Derived from Milk Standard Reference Material - #1953 Derived from NIST 17 Utility Programs for Tandem Spectra DIMEDR A Novel Algorithm for Agglomerating Incongruent LC-MS Metabolomics Datasets. text/html 2026-05-12T12:20:46+00:00 Anonymous (anonymous@undisclosed.example.com) https://chemdata.nist.gov/dokuwiki/doku.php?id=library_builder&rev=1778602846&do=diff Library Builder (Lib2NIST ) The LIB2NIST converter [x32][x64] Can Convert * Text files in .MSP or JCAMP-DX containing mass spectra and optionally an associated structure file in .SDF format * Text files in .MSP format with structures in MOLfile format text/html 2026-05-22T14:32:59+00:00 Anonymous (anonymous@undisclosed.example.com) https://chemdata.nist.gov/dokuwiki/doku.php?id=start&rev=1779474779&do=diff NIST Mass Spectral Data, Tools & Documentation Coming in June! - Release of our 2026 Mass Spectral Libraries Electron Ionization (EI) Tandem (MS/MS) Visit our Booth (720) or Monday Breakfast (7 am, Room 7AB Convention Center) at the ASMS Meeting in San Diego GC/MS (EI & RI) text/html 2021-04-01T11:39:54+00:00 Anonymous (anonymous@undisclosed.example.com) https://chemdata.nist.gov/dokuwiki/doku.php?id=start_old&rev=1617291594&do=diff Mass Spectrometry Data Center The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries along with software tools to aid the use of this data. These products are designed to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC. The Center is located on the NIST main campus in Gai… text/html 2026-05-11T11:08:59+00:00 Anonymous (anonymous@undisclosed.example.com) https://chemdata.nist.gov/dokuwiki/doku.php?id=tandem_search_program_demo&rev=1778512139&do=diff Tandem Search Program (demo) This software will be made available here after June 1, 2026. It will be a fully functioning version of the software provided with the 2026 version of NIST Tandem Libraries (nistms.exe v.4.0), along with a small demonstration library and data files. This tool can access any library in the NIST tandem library format. Such libraries may be created from input .msp or .sdf files also int NIST format, which are available on several sites (see public library list… text/html 2014-03-19T14:47:00+00:00 Anonymous (anonymous@undisclosed.example.com) https://chemdata.nist.gov/dokuwiki/doku.php?id=whydokuwiki&rev=1395254820&do=diff Why DokuWiki? But first what is Dokuwiki? It is easy to guess from the name: it is wiki software. There are few dozens of wiki software available. Some of them are well known - MediaWiki, some of them less known. The Wikipedia has a nice comparison of wiki software. The Wikimatrix has even more complete list. And moreover you can use