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Bio
Dr. Stein has led the development of the NIST/EPA/NIH Mass Spectral Library for the past 20 years. This has involved the acquisition of reference quality EI mass spectra and related information, quality control and the development of algorithms and applications. This Library and associated algorithms are used for unknown compound identification by GC/MS. Search and analysis algorithms for the Library continue to be under development, including AMDIS (Automated Deconvolution and Identification System). His group is also developing a comprehensive GC retention index library for use with the Library. Over the past five years his group has been building MS/MS libraries for small molecules and peptides along with data analysis methods for LC/MS quality control. A new focus has been the examination of reproducibility between tandem MS platforms and the development standard mixtures for performance analysis. He also has long been involved in the development of the NIST Chemistry Webbook (http://webbook.nist.gov), especially sections dealing with spectroscopy and thermochemistry. Another interest is in the representation of chemical structures, leading to the recent development of the International Chemical Identifier, InChI, in cooperation with IUPAC. His work has also resulted in nearly 100 peer-reviewed publications.
Research Interests
Papers共 250 篇Author StatisticsCo-AuthorSimilar Experts
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Concepcion A. Remoroza,Meghan C. Burke,Tytus D. Mak,Sergey L. Sheetlin,Yuri A. Mirokhin,Brian T. Cooper, Zachary C. Goecker,Mark S. Lowenthal,Xiaoyu Yang, Guanghui Wang,Dmitrii V. Tchekhovskoi,Stephen E. Stein
JOURNAL OF PROTEOME RESEARCHno. 4 (2024): 1443-1457
JOURNAL OF CHEMICAL INFORMATION AND MODELINGno. 3 (2024): 690-696
Journal of proteome researchno. 7 (2023): 2246-2255
arXiv (Cornell University) (2023)
Meghan C Burke, Yi Liu,Concepcion Remoroza,Yuri A Mirokhin,Sergey L Sheetlin,Dmitrii V Tchekhovskoi, Guanghui Wang,Xiaoyu Yang,Stephen E Stein
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