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— chemdata:nistlibs [2023/10/16 14:25] (current)
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 +====== NIST Libraries and Software  ======
 +
 +
 +DOI: [[http://dx.doi.org/10.18434/T4H594|10.18434/T4H594]]
 +===== NIST Search Software =====
 +New software and demo library can be found here:
 +<WRAP center 70%>
 +|  {{:chemdata:nist17:nist17demo.zip|Download installation program}}  |
 +|  {{:chemdata:nist17:nistms_ver23man.pdf|Download manual (PDF)}}  |
 +</WRAP>
 +
 +===== NIST Tandem Mass Spectral Library =====
 +New release of the NIST Library of Tandem Mass Spectra is now available. [[:chemdata:msms|Read more...]] 
 +===== MS Interpreter Ver. 3.4.5  =====
 +(March 2023 Release)
 +
 +MS Interpreter [[chemdata:interpreter|(read more...)]] is a tool that enables the analysis of mass spectra based on the chemical structure of the underlying compound and the chemical formulas of its fragment ions. Now works for high and low mass accuracy spectra.  
 +<WRAP center 70%>
 +|  {{:chemdata:downloads:mspcalc2023.zip |Download Ver. 3.4.5 (2023 Release) }}  |  
 +</WRAP>
 +
 +===== AMDIS ver. 2.73 =====
 +AMDIS - computer program that extracts spectra for individual components in a GC/MS data file. 
 +<WRAP center 70%>
 +| More information, links to downloads can be found here: [[:chemdata:amdis|AMDIS]]  |  
 +</WRAP>
 +
 +
 +===== MS PepSearch (2-22-19) =====
 +
 +This MS PepSearch program [[peptidew:mspepsearch|(read more...)]] was developed for batch processing of both proteomics and metabolomics data, in which hundreds or thousands of unknown tandem mass spectra can be processed in a single run. 
 +
 +Download the MSPepSearch appropriate for your Windows operation system. If you are in doubt, select 32-bit version.
 +<WRAP center 70%>
 +Current release (02/22/2019, with new hybrid and hi-res searches, no GUI) 
 +|  [[https://chemdata.nist.gov/download/peptide_library/libraries/software/current_releases/MSPepSearch/2019_02_22_MSPepSearch_x32.zip|Download (32-bit)]]  |  [[https://chemdata.nist.gov/download/peptide_library/libraries/software/current_releases/MSPepSearch/2019_02_22_MSPepSearch_x64.zip|Download (64-bit)]]  |
 +
 +</WRAP>
 +
 +
 +===== Lib2NIST Library Conversion Tool =====
 +
 +Lib2NIST is tool for building and format conversion of NIST MS libraries.
 +<WRAP center 70%>
 +|  {{:chemdata:nist17:2017_05_10_lib2nist_x32.zip|Download (32-bit)}} |  {{:chemdata:nist17:2017_05_10_lib2nist_x64.zip|Download (64-bit)}} |
 +</WRAP>
 + 
 +===== Glycan and Glycopeptides =====
 +  * Glycopeptide Mass Spectral Library (HCD) of Human IgG1 mAb Drugs \\ available for  {{:chemdata:nist17:nist_igg_glycopeptide.zip|download}}
 +  * Glycan library can be downloaded from [[chemdata:glycan-library|here]] 
 +  * Online access to Glycan Library is also [[https://chemdata.nist.gov/glycan|available]]
 +  
 +===== Annotated Recurrent Unidentified Spectra (ARUS ) =====
 +
 +  * [[chemdata:nist17:gcms_arus| 3 GC/MS Libraries]]  available for download.
 +  * We have provided [[chemdata:arus| 8 library files]] of recurring spectra found in NIST Human Plasma/Serum and Urine reference materials that have not been identified by NIST libraries, many of which are partly identified using our Hybrid Search methods. 
 +
 +===== Libraries Cited in Publications =====
 +
 +  * **MS Library of Oligosaccharides in NIST Human Milk SRM 1953** \\ Creating a Mass Spectral Reference Library for Oligosaccharides in Human Milk \\ C.A. Remoroza et al., 2018 \\ [[https://DOI: 10.1021/acs.analchem.8b01176]] \\ <wrap round download 20%>[[https://chemdata.nist.gov/dokuwiki/doku.php?id=peptidew:lib:nonhumanmilk|Read more and download...>]]</wrap>
 +
 +  * **A Mass Spectral Library of Acylcarnitines Derived from Human Urine** \\ Xinjian Yan et al., 2020 \\ [[https://doi.org/10.1021/acs.analchem.0c00129]] \\ <wrap round download 20%>[[peptidew:lib:acylcarnitine|Read more and download...>]]</wrap>
 +
 +  * **MS Library of Free Oligosaccharides in Milk from a Variety of Mammals** \\ Increasing the Coverage of a Mass Spectral Library of Milk Oligosaccharides using a Hybrid-search-based Bootstrapping Method and Milks from a Wide Variety of Mammals \\ C.A. Remoroza et al., 2020 \\ [[https://doi.org/10.1021/acs.analchem.0c00342]] \\ <wrap round download 20%>[[peptidew:lib:oligosaccarides|Read more and download...>]]</wrap>
 +
 +  * **Glycopeptide Abundance Distribution Spectra (GADS) Software and Libraries** \\ Representing and Comparing Site-Specific Glycan Abundance Distributions of Glycoproteins \\ C.A. Remoroza  et al., 2021 \\ https://pubs.acs.org/doi/10.1021/acs.jproteome.1c00442 \\ <wrap round download 20%>[[peptidew:nistmsgads|Read more and download...>]]</wrap>
 +  
 +  * **Libraries of Human Milk Glycopeptides** \\ Mass Spectra Library-Based Methods for Analysis of Site-specific N-Glycosylation Applied to Human Milk Proteins. \\ C.A. Remoroza et al., 2022 \\ [[https://doi.org/10.1021/acs.jproteome.1c00442]] \\ <wrap round download 20%>[[peptidew:human_n_linked_glyco|Read more and download...>]]</wrap>
 +
 +  * **SARS-CoV-2 Spike Protein Glycopeptides** \\ Determining Site-Specific Glycan Profiles of Recombinant SARS-CoV-2 Spike Proteins from Multiple Sources. \\ M.C. Burke et al., 2023 \\ [[https://pubs.acs.org/doi/full/10.1021/acs.jproteome.3c00271]] \\ <wrap round download>[[peptidew:sars-cov-2_spike_protein_n_linked_glyco|Read more and download...>]]</wrap>
 +
 +
 +
  
chemdata/nistlibs.txt ยท Last modified: 2023/10/16 14:25 (external edit)

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