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ASMS 2019 Presentations and Posters

Presentations

  • MetaboPique. A High-Throughput Computational Workflow for Validating, Annotating, and Organizing MS/MS Spectra Derived from Biological Samples.
    Authors: Tytus D. Mak, Concepcion A. Remoroza, Meghan C. Burke, Stephen E. Stein
    Contact e-mail: tytus.mak@nist.gov
    Download PowerPoint file

  • Creation and Annotation of a Recurrent Spectral Library of CHO Cell Metabolites and Media Components.
    Authors: Kelly H. Telu, Ramesh Marupaka, Nirina R. Andriamaharavo, Yamil Simón-Manso, Yuxue Liang, Yuri A. Mirokhin, Xinjian Yan, Tallat H. Bukhari and Stephen E. Stein
    Contact e-mail: kelly.telu@nist.gov
    Download PDF file

  • Challenges in Protein Oxidation Analysis by LC-MS/MS: Observations from NISTmAb and CPTAC Two-Dimensional (2D) Fractionation Data.
    Authors: Qian Dong, Xinjian Yan, Meghan C. Burke, Sanford P. Markey, Yuxue Liang, Yuri A. Mirokhin, Dmitrii V. Tchekhovskoi, Tallat H. Bukhari, and Stephen E. Stein
    Contact e-mail: qian.dong@nist.gov
    Download PowerPoint file

Posters

  1. Evaluation of NIST Library Search Software.
    Authors: Arun S. Moorthy, Anthony J. Kearsley, W. Gary Mallard, William E. Wallace, Stephen E. Stein
    Contact e-mail: arun.moorthy@nist.gov
    Download PDF file

  2. Tandem Mass Spectral Analysis of Free Oligosaccharides in Milk of Various Mammals.
    Authors: Connie A. Remoroza, Yuxue Liang, Tytus D. Mak, Sergey L. Sheetlin, Yuri A. Mirokhin, Joice San Andres, Michael L. Power, Stephen E. Stein
    Contact e-mail: concepcion.remoroza@nist.gov
    Download PDF file

  3. Identification of Inconsistent Peptide Recovery and Aberrant Peptide Termini as Sources of Sample Variability in Patient-derived Tumor Samples.
    Authors: Meghan C. Burke, Zheng Zhang, Yuri A. Mirokhin, Dmitrii V. Tchekhovskoi, Stephen E. Stein
    Contact e-mail: meghan.burke@nist.gov
    Download PDF file

  4. Improved algorithms for identifying phosphopeptides in peptide tandem mass spectral libraries.
    Authors: Sergey L. Sheetlin, Dmitrii V. Tchekhovskoi , Zheng Zhang, Stephen E. Stein
    Contact e-mail: sergey.sheetlin@nist.gov
    Download PDF file

  5. Rearrangement of TMS of halogenated saturated aliphatic alcohols in EI mass spectra.
    Authors: Quan-Long Pu, Yufang Zheng, Stephen Stein
    Contact e-mail: qlpu@nist.gov
    Download PDF file

  6. New Developments in the Modeling of Ion Fragmentation by MS Interpreter Software.
    Authors: Alexey Mayorov, Yuri Mirokhin, Dmitrii Tchekhovskoi, Stephen E. Stein
    Contact e-mail: alexey.mayorov@nist.gov
    Download PDF file

  7. Sensitive and Reliable Method for 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 e-mail: zheng.zhang@nist.gov
    Download PDF file

  8. Characterizing Product Ions in a Reference Tandem Mass Spectral Library.
    Authors: Xiaoyu Yang, Pedatsur Neta, Yuri Mirokhin, Dmitrii Tchekhovskoi, Yuxue Liang, Alexey Mayorov, Stephen E. Stein
    Contact e-mail: xiaoyu.yang@nist.gov
    Download PDF file

  9. Spectral Derivatives. Exploring and Exploiting the Collision Energy Dependence of Tandem Mass Spectra.
    Authors: Yamil Simón-Manso
    Contact e-mail: yamil.simon@nist.gov
    Download PDF file

  10. New Evaluation Methods for Expanding an Electron Ionization Mass Spectral Library.
    Authors: Weihua Ji, Sanford Markey, Gary Mallard, Dmitrii Tchekhovskoi, Yuri Mirokhin, Oleg Toropov, Alexey Mayorov, William Wallace, Stephen Stein
    Contact e-mail: weihua.ji@nist.gov
    Download PDF file

  11. The Spectrum Factory. A new workflow for the creation of libraries of unknown mass spectra from known precursor compounds.
    Authors: John M. Halket, Anna Caldwell, Gary Mallard, Stephen Stein
    Contact e-mail: gary.mallard@nist.gov
    Download PDF file

  12. Cysteine and Acetylcysteine Conjugated Acylcarnitines Revealed by LC-MS/MS.
    Authors: Xinjian Yan, Sanford P. Markey, Yamil Simón-Manso, Ramesh Marupaka, Qian Dong, and Stephen Stein
    Contact e-mail: xinjian.yan@nist.gov
    Download PDF file

Flyers

  1. NIST/EPA/NIH EI-MS Library - 2017 Release

  2. NIST TANDEM MS Library - 2017 Release

  3. NIST 2017 Library Release Pamphlet

  4. NIST 2017 Tandem Library Availability

  5. NIST MS Interpreter - 2019 Version

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