peptidew:lib:disulfidepeptides

The NISTmAb Mass Spectral Library of Disulfide-Linked Peptides

As a result of a major upgrade of the earlier version of the spectral library, this 2021 New Release added 596 “best” individual spectra (Selected) of disulfide-bonded peptides, in addition to consensus spectra. The details can be found in the library new release note (75.34 KiB) and Readme (78.34 KiB) PDF files.

The library is presented in two parts, including 321 and 907 spectra generated by Orbitrap Fusion Lumos (Lumos) and Q Exactive Hybrid Quadrupole-Orbitrap (QE) mass spectrometers, respectively. Altogether, there are 155 different peptides identified from native SS linkages in the NISTmAb and 207 different peptides detected from experiment-induced SS bonds.

Reference: Comprehensive Analysis of Tryptic Peptides Arising from Disulfide Linkages in NISTmAb and Their Use for Developing a Mass Spectral Library. J Proteome Res. 2021 Mar 5;20(3):1612-1629. Dong Q, Yan X, Liang Y, Markey SP, Sheetlin SL, Remoroza CA, Wallace WE, Stein SE. https://pubs.acs.org/doi/10.1021/acs.jproteome.0c00823

Two disulfide spectral libraries:

File Size Link to download
1 The spectral library generated from Lumos
NISTmAb_Disulfide_Lumos_v211.zip - Archive file with the Library in NIST MS Search format. Unzip whole folder where the NIST MS Search program installed. If you do not have NIST MS Search Program see Notes below. 3.8MB Download
NISTmAb_Disulfide_LumosMSP_v211.zip - Archive file with the Library in MSP (text) format. 1.2MB Download
2 The spectral library generated from Q-Exactive
NISTmAb_Disulfide_QE_v211.zip - Archive file with the Library in NIST MS Search format. Unzip whole folder where the NIST MS Search program installed. If you do not have NIST MS Search Program see Notes below. 3.5MB Download
NISTmAb_Disulfide_QEMSP_v211.zip - Archive file with the Library in MSP (text) format. 841KB Download
md5_checklist.chk - MD5 hash file. 1KB Download

NOTES
You will need NIST MS Search software v.2.3 to search the oligosaccharides library. The software can be download: here (Download installation program) (32.03 MiB). Download archive and unzip installation file. Run NIST17Demo.exe to install the search program.

The Version v1 Release Date: September 19, 2020
The Version v21.1 Release Date: March 8, 2021

For questions, please contact
Dr. Qian Dong
(email: qian.dong@nist.gov)


© Copyright information
These mass spectral libraries are protected by copyright law and may not be re-distributed without a valid Distribution Agreement. To receive such an agreement, contact the Standard Reference Data Program at the National Institute of Standards and Technology by emailing data@nist.gov or calling 301-975-2008.


peptidew/lib/disulfidepeptides.txt · Last modified: 2021/07/08 23:09 (external edit)

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