===== 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> \\ {{:chemdata:asms2019_tytus.pptx|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> \\ {{:chemdata:asms2019_telu_final.pdf|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> \\ {{:chemdata:asms2019_presentation_qian_dong.pptx|Download PowerPoint file}} \\ \\ 

  * **MS Library-based, Sensitive Method for Identification of Genetically-Variant Peptides in Human Hair.** \\ //Authors//: __Zheng Zhang, Stephen E. Stein__ \\ Contact e-mail:  <zheng.zhang@nist.gov>, <stephen.stein@nist.gov> \\ {{:chemdata:asms2019_workshop_stein.pptx|Download PowerPoint file}} \\ \\ 

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==== Posters ====
  - **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> \\ {{:chemdata:asm-posterwriteup-v2.pdf|Download PDF file}} \\ \\ 
  - **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> \\ {{:chemdata:asms2019_poster_remoroza.pdf|Download PDF file}} \\ \\ 
  - **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> \\ {{:chemdata:asms2019_poster_burke.pdf|Download PDF file}} \\ \\ 
  - **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> \\ {{:chemdata:asms2019_poster_sergey_sheetlin_c2.pdf|Download PDF file}} \\ \\ 
  - **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> \\ {{:chemdata:asms2019_poster_67th_long_f1.pdf|Download PDF file}} \\ \\ 
  - **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> \\ {{:chemdata:asms2019_poster_6_amayorov.pdf|Download PDF file}} \\ \\ 
  - **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> \\ {{:chemdata:asms2019_hair_gvp_detection_jane_zhang.pdf.pdf|Download PDF file}} \\ \\
  - **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> \\ {{:chemdata:asms2019_sara_xiaoyu_yang.pdf|Download PDF file}} \\ \\
  - **Spectral Derivatives. Exploring and Exploiting the Collision Energy Dependence of Tandem Mass Spectra.** \\ //Authors//: __Yamil Simón-Manso__ \\ Contact e-mail:  <yamil.simon@nist.gov> \\ {{:chemdata:asms2019_presentation_yamil-simon.pdf|Download PDF file}} \\ \\
  - **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> \\ {{:chemdata:asms2019_weihua_ji.pdf|Download PDF file}} \\ \\
  - **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> \\ {{:chemdata:asms2019_spectrum_factory.pdf|Download PDF file}} \\ \\
  - **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> \\ {{:chemdata:asms2019_eric.pdf|Download PDF file}} \\ \\


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==== Flyers ====

  - {{:chemdata:2017-nistmsdc-ei.pdf|NIST/EPA/NIH EI-MS Library - 2017 Release}} \\ \\
  - {{:chemdata:2017-nistmsdc-tandem.pdf|NIST TANDEM MS Library - 2017 Release}} \\ \\
  - {{:chemdata:2017-nistmsdc-rackcard.pdf|NIST 2017 Library Release Pamphlet}} \\ \\
  - {{:chemdata:2019-nistmsdc-tandemavailability.pdf|NIST 2017 Tandem Library Availability}} \\ \\
  - {{:chemdata:2019-nistmsdc-msinterpreter.pdf|NIST MS Interpreter - 2019 Version }} \\ \\