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Xiaoyu (Sara) Yang (Fed)

Dr. Yang has been working in bioinformatics since 2001, primarily in the areas of mass spectrometry-based metabolomics and proteomics. Before she joined NIST, she developed the DBParser software package for high-throughput shotgun proteomics data analysis at NIH in 2003. At NIST, she developed numerous algorithms and software programs for building the NIST Tandem Mass Spectral Library of small molecules and peptides. She developed various quality control tools for library examination. She also created the first high-resolution Tandem Mass Spectral Library of single protein digests of HSA.

NRC Postdoctoral Research Opportunity

Selected Publications:
Extending a Tandem Mass Spectral Library to Include MS2 Spectra of Fragment Ions Produced In-Source and MSn Spectra (also featured in "Women in Mass Spectrometry")
Quality Control for Building Libraries from Electrospray Ionization Tandem Mass Spectra

Scientific Societies:
American Society for Mass Spectrometry (member Since 2007)
Session Chair for "Informatics: Metabolomics" (ASMS meeting 2018)
Organizer and co-presider for the workshop "Compound Identification by Mass Spectral Library Searching" (ASMS meeting 2020)
Chair, Social Activity committee for ACS Division of Analytical Chemistry, 2020


Gears of Government Awards for distinguished contribution for building the NIST Tandem Mass Spectral Library, 2020.

Department of Commerce Gold Medal for developing novel computational algorithms that led to the extraordinary and efficient expansion of the NIST Tandem Mass Spectral Library, 2019.


Increasing the Coverage of a Mass Spectral Library of Milk Oligosaccharides Using a Hybrid- Search-Based Bootstrapping Method and Milks from a Wide Variety of Mammals

Concepcion A. Remoroza, Tytus D. Mak, Yuri A. Mirokhin, Sergey L. Sheetlin, Xiaoyu Yang, Stephen E. Stein, Power L. Michael, San Andres V. Joice, Yuxue Liang
This study significantly expands both the scope and method of identification for construction of a previously reported tandem mass spectral library of 74 human
Created October 9, 2019, Updated June 15, 2021