NIST23 Features
- NIST23 EI library and EI library software, and NIST23 Tandem library and Tandem library software.

ASMS2023_flyer_prepress.pdf
- NIST periodic table and the flyer of NIST23 MS libraries.

ASMS2023_NIST_rack_card.pdf
- rack card of NIST23 MS libraries.

NIST 2023 Release Presentation - - Overview of NIST MS Reference Libraries & Software

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.

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.

ASMS2023_douglas_slotta_masskit.pdf
- MassKit: A Flexible and High Performance API for Mass Spectrometry
Authors: Douglas J. Slotta, Lewis Y. Geer.

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.

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.

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.

ASMS2023_hani_habra_poster.pdf
- Publicly Available Metabolomics Data Alignment of Human Urine Measured by RPLC-MS
Authors: Hani Habra, Yamil Simon, Tytus Mak.

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.

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.

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.

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.

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.

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.

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.

ASMS2023_xinjian_yan.pdf
- Reproducibility Analyses of Metabolomic Data
Authors: Xinjian Yan, Stephen Stein.

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.

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.

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.

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.

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.

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.