The Many Forms of NIST 2020 MS Libraries
Author: Stephen E. Stein.
Contact: stephen.stein@nist.gov

Developing a Data Processing Pipeline for Extending a Comprehensive Tandem Mass Spectral Library
Authors: Xiaoyu Yang , Pedatsur Neta, Yuxue Liang, Connie A. Remoroza , Yamil Simón Manso , Kelly H. Telu , Yuri Mirokhin , Dmitrii Tchekhovskoi , Alexey Mayorov , Tytus D. Mak , Lewis Geer,
Stephen E. Stein.
Contact: xiaoyu.yang@nist.gov

Spectrum Acquisition and Evaluation for Building the 2020 NIST Tandem MS Library
Authors: Yuxue Liang, Neta Pedatsur, Xiaoyu Yang, Stephen Stein.
Contact: Yuxue.Liang@nist.gov

Beyond the Top Hit: Extracting Unknown Structural Information from Hybrid Similarity Search Hit Lists
Authors: Brian T. Cooper, Tytus D. Mak, Stephen E. Stein.
Contact: btcooper@uncc.edu

Spectral Library Search with NIST MSPepSearch and Error Rate Estimation

Filtering and optimization of peptide tandem mass spectral libraries.
Authors: Sergey L. Sheetlin, Guanghui Wang, Dmitrii V. Tchekhovskoi , Zheng Zhang,
Stephen E. Stein
Contact: sergey.sheetlin@nist.gov

Inferring the molecular mass of an analyte from its electron ionization mass spectrum.
Authors: A.S. Moorthy, A.J. Kearsley, W.G. Mallard, W.E. Wallace, S.E. Stein
Contact: arun.moorthy@nist.gov

Rearrangement of the TMS ester of 4-Oxo-4H-chromene-2-carboxylic acid and analogs in EI mass spectra
Authors: Quan-Long Pu, H. Martin Garraffo, Yufang Zheng, N. Rabe Andriamaharavo,
Stephen E. Stein
Contact: qlpu@nist.gov

Unraveling the chemical nature of biofluids by using reference materials, ARUS libraries and the hybrid search. Do it yourself
Authors: Yamil Simón-Manso, Xinjian Yan, Kelly H. Telu, Yuri Mirokhin, Yuxue Liang,
Stephen E. Stein
Contact: yamil.simon@nist.gov

Unexpected EI Fragmentations: Loss of Tetramethylsilane in Vicinal TMS diols
Authors: N. Rabe Andriamaharavo, H. Martin Garraffo, Stephen E. Stein
Contact: rabe@nist.gov

Spectral Library Search Based Method for the Confident Identification of Genetically Variant Peptides in Human Hair
Authors: Zheng Zhang, Meghan C. Burke, William E. Wallace, Yuxue Liang, Sergey L. Sheetlin, Yuri A. Mirokhin, Dmitrii V. Tchekhovskoi, Stephen E. Stein
Contact: zheng.zhang@nist.gov

Identifying genetically variant peptides in cancer samples by the NIST hybrid spectral library search
Authors: Guanghui Wang, Meghan C. Burke, Sergey L. Sheetlin, Yuri A. Mirokhin, Dmitrii V. Tchekhovskoi, Stephen E. Stein
Contact: guanghui.wang@nist.gov

Rearrangement of TMS of Halogenated 1-Phenylethanone and Related Compounds in EI Mass Spectra
Authors: Yufang Zheng, H. Martin Garraffo, Quan-long Pu, Weihua Ji, Stephen E. Stein
Contact: yufang.zheng@nist.gov

An underappreciated challenge in identifying metabolites: scoring matches between library spectra and LC-MS HRAM metabolite spectra from complex samples
Authors: Lewis Y. Geer, Yamil Simón-Manso, Xiaoyu Yang, Stephen E. Stein
Contact: lewis.geer@nist.gov

Trypsin – a Tired Workhorse? The Selectivity of Atypical Cleavages by Trypsin
Authors: Meghan C Burke, Yuxue Liang, Stephen E. Stein
Contact: meghan.burke@nist.gov

NIST20 MS Libraries Handout

NIST20 MS Analysis Tools Handout

NIST20 Library Release Banner with Periodic Table Handout

Peptide Libraries Handout

NISTmAb Handout