===== ASMS 2023 Presentations and Posters ===== ==== Promotional material ==== * **{{ :chemdata:asms2023:asms2023_nist23_features.pdf |NIST23 Features}}** \\ - NIST23 EI library and EI library software, and NIST23 Tandem library and Tandem library software. * **{{ :chemdata:asms2023:asms2023_flyer_prepress.pdf |ASMS2023_flyer_prepress.pdf}}** \\ - NIST periodic table and the flyer of NIST23 MS libraries. * **{{ :chemdata:asms2023:asms2023_nist_rack_card.pdf |ASMS2023_NIST_rack_card.pdf}}** \\ - rack card of NIST23 MS libraries. ==== Presentations and Posters ==== * **{{ :chemdata:asms2023:nist_2023_release_presentation.pdf |NIST 2023 Release Presentation}}** - - Overview of NIST MS Reference Libraries & Software * **{{:chemdata:asms2023:asms2023_aliyah_remoroza.pdf|ASMS2023_aliyah_remoroza.pdf}}** \\ - INTERFACING CHROMATOGRAPHIC, MASS SPECTROMETRY, AND IONIZATION TECHNIQUES FOR BETTER PROFILING ENDOGENOUS AND EXOGENOUS METABOLITES IN HUMAN MILK // Authors:// __Aliyah Hannah A. Remoroza__, Yamil Simón-Manso, Chengpeng Chen, William E. Wallace, Stephen E. Stein. * **{{:chemdata:asms2023:asms2023_connie_remoroza.pdf|ASMS2023_connie_remoroza.pdf}}** \\ - COMPARISON OF GLYCOPEPTIDE AND RELEASED GLYCAN ABUNDANCES FOR IgG-BASED THERAPEUTIC ANTIBODIES \\ //Authors:// __Concepcion Remoroza__, Meghan Burke-Harris, Tytus Mak, Sergey Sheetlin, Xiaoyu Yang, Yuri Mirokhin, Brian Cooper, Zachary Goecker, Guanghui Wang, Dmitrii Tchekhovkoi, Stephen Stein. * **{{:chemdata:asms2023:asms2023_douglas_slotta_masskit.pdf|ASMS2023_douglas_slotta_masskit.pdf}}** \\ - MassKit: A Flexible and High Performance API for Mass Spectrometry \\ //Authors:// __Douglas J. Slotta__, Lewis Y. Geer. * **{{:chemdata:asms2023:asms2023_edward_erisman_poster.pdf|ASMS2023_edward_erisman_poster.pdf}}** \\ - Using High Resolution Mass Spectrometry to Clarify Ambiguous Benzodiazepine Ions in the NIST EI MS Library \\ //Authors:// __Edward P. Erisman__; Arun S. Moorthy; William E. Wallace; Stephen E. Stein. * **{{:chemdata:asms2023:asms2023_guanghui_wang_poster.pdf|ASMS2023_guanghui_wang_poster.pdf}}** \\ - An XIC-centric approach for improved identification, quantification, and reproducibility in proteomic data analyses \\ //Authors:// __Guanghui Wang__, Zheng Zhang, Yi Liu, Meghan C. Burke, Sergey L. Sheetlin, Stephen E. Stein. * **{{:chemdata:asms2023:asms2023_lewis_geer_airi.pdf|ASMS2023_lewis_geer_airi.pdf}}** \\ - Estimating the uncertainty of AI predictions of the Kováts retention index \\ //Authors:// __Lewis Y. Geer__, Douglas J. Slotta, Stephen E. Stein. * **{{:chemdata:asms2023:asms2023_hani_habra_poster.pdf|ASMS2023_hani_habra_poster.pdf}}** \\ - Publicly Available Metabolomics Data Alignment of Human Urine Measured by RPLC-MS \\ //Authors:// __Hani Habra__, Yamil Simon, Tytus Mak. * **{{:chemdata:asms2023:asms2023_meghan_burke_poster.pdf|ASMS2023_meghan_burke_poster.pdf}}** \\ - Characterizing Reproducibility of Glycoform Distributions for SARS-CoV-2 Spike Protein-Derived Glycopeptides Across Recombinant Protein Sources Using Automated, Mass Spectral Library-Based Methods \\ //Authors:// __Meghan C. Burke__, Yi Liu, Concepcion Remoroza, Yuri A. Mirokhin, Sergey L. Sheetlin, Dmitrii V. Tchekhovskoi, Guanghui Wang, Xiaoyu Yang, Stephen E. Stein. * **{{:chemdata:asms2023:asms2023_nirina_r_andriamaharavo.pdf|ASMS2023_nirina_r_andriamaharavo.pdf}}** \\ - Measurement and Evaluation of Plant Derived Compounds for a Comprehensive Electron Ionization MS Library \\ //Authors:// __N. Rabe Andriamaharavo__, Mak Tytus, Ji Weihua, William E. Wallace, Stephen E. Stein. * **{{:chemdata:asms2023:asms2023_qian_dong.pdf|ASMS2023_qian_dong.pdf}}** \\ -Deep Learning based Comprehensive Prediction of Peptide Tandem Mass Spectra to Generate Proteome Scale Mass Spectral Libraries \\ //Authors:// __Qian Dong__, Joel Lapin, Xinjian (Eric) Yan. * **{{:chemdata:asms2023:asms2023_quan_long-pu_poster.pdf|ASMS2023_quan_long-pu_poster.pdf}}** \\ -Rearrangement of The TMS ester of 4-Difluoromethoxy-N-methylbenzylamine and analogs in EI mass spectra \\ //Authors:// __Quan-Long Pu__, Yufang Zheng, Kirill Tretyakov, Edward Erisman. * **{{:chemdata:asms2023:asms2023_sara_xiaoyu_yang.pdf|ASMS2023_sara_xiaoyu_yang.pdf}}** \\ -Extending a Tandem Mass Spectral Library with High-Quality Reference Spectra of 11,000 Plant Metabolites \\ //Authors:// __Xiaoyu Yang__, Pedatsur Neta, H. Martin Garraffo, Yuxue Liang, Yamil Simón-Manso, Yi Liu, Dmitrii Tchekhovskoi, Yuri Mirokhin, Stephen Stein. * **{{:chemdata:asms2023:asms2023_sergey_sheetlin_poster.pdf|ASMS2023_sergey_sheetlin_poster.pdf}}** \\ - Creating a data analysis pipeline for producing high-quality glycopeptide mass spectral libraries \\ //Authors:// __Sergey L. Sheetlin__, Yuri A. Mirokhin, Guanghui Wang, Xiaoyu Yang, Concepcion A. Remoroza, Yi Liu, Xinjian Yan, Dmitrii V. Tchekhovskoi, Zachary C. Goecker, Meghan C. Burke, Stephen E. Stein. * **{{:chemdata:asms2023:asms2023_weihua_ji.pdf|ASMS2023_weihua_ji.pdf}}** \\ - More Than 43,400 High Quality Spectra Added to a Comprehensive Electron Ionization (EI) Mass Spectral Library \\ //Authors:// __Weihua Ji__, Lewis Y. Geer, Nirina Rabe Andriamaharavo, Yufang Zheng, Edward P. Erisman, H. Martin Garraffo, James Little, Gary Mallard, Sanford P. Markey, Yuri A. Mirokhin, Quan-Long Pu, Dmitrii V. Tchekhovskoi, Nino G. Todua, Oleg V. Toropov, Kirill V. Tretyakov, William E. Wallace, Stephen E. Stein. * **{{:chemdata:asms2023:asms2023_xinjian_yan.pdf|ASMS2023_xinjian_yan.pdf}}** \\ - Reproducibility Analyses of Metabolomic Data \\ //Authors:// __Xinjian Yan__, Stephen Stein. * **{{:chemdata:asms2023:asms2023_yamil_simon_poster.pdf|ASMS2023_yamil_simon_poster.pdf}}** \\ - The Role of Mass Spectrometry in the Circular Economy of Plastics.Deconvolution of Mass-Spectral-Data Derived from Extracts of Polymer Mixtures \\ //Authors:// __Yamil Simón-Manso__, Tytus Mak, Edward P. Erisman, Kelly H. Telu, Xiaoyu Yang, Yuxue Liang, William E. Wallace, and Stephen E. Stein. * **{{:chemdata:asms2023:asms2023_yi_liu_poster.pdf|ASMS2023_yi_liu_poster.pdf}}** \\ - Optimization of Sample Preparation Methods for Building Human Glycopeptide Libraries \\ //Authors:// __Yi Liu__, Meghan C. Burke, Zachary C. Goecker, Sergey L. Sheetlin, Guanghui Wang, Yuri A. Mirokhin, Zheng Zhang, Yuxue Liang, Xiaoyu Yang, Dmitrii V. Tchekhovskoi, Stephen E. Stein. * **{{:chemdata:asms2023:asms2023_yufang_zheng.pdf|ASMS2023_yufang_zheng.pdf}}** \\ - Enhancing the Coverage and Quality of Spectra of Per- and Polyfluoroalkyl Substances in a Comprehensive Electron Ionization Mass Spectral Library \\ //Authors:// __Yufang Zheng__, Edward Erisman; Quanlong Pu; Weihua Ji; Tytus Mak; William E Wallace; Stephen Stein. * **{{:chemdata:asms2023:asms2023_yuxue_liang.pdf|ASMS2023_yuxue_liang.pdf}}** \\ - Unexpected Gas Phase Nitrogen Oxygen Smiles Rearrangement: Collision induced Dissociation of Deprotonated 2-(N Methylanilino)ethanol and Morpholinylbenzoic Acid Derivatives \\ //Authors:// __Yuxue Liang__, Yamil Simon, Pedatsur Neta, Xiaoyu Yang, Yi Liu, Tallat Bukhari, Stephen E. Stein. * **{{:chemdata:asms2023:asms2023_zachary_goecker_poster.pdf|ASMS2023_zachary_goecker_poster.pdf}}** \\ - Variation of Site-Specific Glycosylation Profiles for Influenza Glycoproteins from Different Vaccines and Recombinant Sources \\ //Authors:// __Zachary C. Goecker__, Meghan C. Burke, Concepcion A. Remoroza, Yi Liu, Yuri A. Mirokhin, Sergey L. Sheetlin, Xiaoyu Yang, Dmitrii V. Tchekhovskoi, Stephen E. Stein. * **{{:chemdata:asms2023:asms2023_zheng_zhang_poster.pdf|ASMS2023_zheng_zhang_poster.pdf}}** \\ - Comparison of Sample Preparation Methods for Genetically Variant Peptide Identification in Human Hair \\ //Authors:// __Zheng Zhang__, William E. Wallace, Guanghui Wang, Meghan C. Burke Harris, Yi Liu, Sergey L. Sheetlin, Stephen E. Stein. ----