Publications and Presentations
Group members
Members of the Chemical Reference Data Group, NIST, July 2009.
Publications
- “Estimating Probabilities of Correct Identification from Results of
Mass Spectral Library Searches” Stephen E. Stein, J. Am. Soc. Mass
Spectrom., 1994, 5, 316-323. [doi:10.1016/1044-0305(94)85022-4]
- “Optimization and Testing of Mass Spectral Library Search Algorithms
for Compound Identification” Stephen E. Stein and Donald R. Scott, J.
Am. Soc. Mass Spectrom., 1994, 5, 859-866. [doi:10.1016/1044-0305(94)87009-8]
- “Chemical Substructure Identification by Mass Spectral Library
Searching” Stephen E. Stein, J. Am. Soc. Mass Spectrom., 1995,
6, 644-655. [10.1016/1044-0305(95)00291-K]
- “The Critical Evaluation of a Comprehensive Mass Spectral Library”
P. Ausloos, C.L. Clifton, S.G. Lias, A.I. Mikaya, S.E. Stein, D.V.
Tchekhovskoi, O.D. Sparkman, V. Zaikin, Damo Zhu, J. Am. Soc. Mass Spectrom.,
1999, 10, 287-299.[doi:10.1016/S1044-0305(98)00159-7]
- “Deconvolution Gas Chromatography/Mass Spectrometry of Urinary Organic
Acids - Potential for Pattern Recongnition and Automated Identification of
Metabolic Disorders” John M. Halket, Anna Przyborowska, Stephen E. Stein,
W. Gary Mallard, Stephen Down and Ronald Chalmers, Rapid Commun. Mass
Spectrom., 1999, 13, 279-284. [doi:10.1002/(SICI)1097-0231(19990228)13:4<279::AID-RCM478>3.0.CO;2-I]
- An Integrated Method for Spectrum Extraction and Compound Identification
from Gas Chromatography/Mass Spectrometry Data, S.E. Stein, J. Am. Soc.
Mass Spectrom., 1999, 10, 770-781. [doi:10.1016/S1044-0305(99)00047-1]
- P. Neta, Q-L Pu, L. Kilpatrick, X. Yang, and S.E. Stein,
“Dehydration vs. Deamination of N-Terminal Glutamine in Collision-Induced Dissociation of Protonated Peptides”,
J. Amer. Soc. Mass Spectrom. Volume: 18 Issue: 1 Pages: 27-36 Published: JAN 2007. [doi:10.1016/j.jasms.2006.08.016]
- M. Campbell, S.E. Stein, P.S. Blank, J.A. Epstein, M.L. Vestal, A. L. Yergey
“Fragmentation of Leucine Enkephalin as a Function of Laser Fluence in a MALDI TOF-TOF”,
J. Amer. Soc. Mass Spectrom. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY Volume: 18 Issue: 4 Pages: 607-616 Published: APR 2007. [doi:10.1016/j.jasms.2006.11.008]
- H. Lam, E. Deutsch, J. Eddes, J. Eng, N. King, S. Stein, R. Aebersold
“Development and Application of a Spectral Library Searching Method for Peptide Identification from Tandem Mass Spectrometry”,
Proteomics, Volume: 7 Issue: 5 Pages: 655-667 Published: MAR 2007. [doi:10.1002/pmic.200600625]
- Neta P, Pu QL, Yang XY, Stein SE.
“Consecutive neutral losses of H2O and C2H4O from N-Terminal Thr-Thr and Thr-Ser in collision-induced dissociation of protonated peptides Position dependent water loss from single Thr or Ser”,
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY Volume: 267 Issue: 1-3 Pages: 295-301, 2007. [doi:10.1016/j.ijms.2007.02.055]
- Lam H, Deutsch EW, Eddes JS, Eng JK, King N, Stein SE, Aebersold R et al.
“Development and validation of a spectral library searching method for peptide identification from MS/MS”
PROTEOMICS Volume: 7 Issue: 5 Pages: 655-667 MAR 2007. [doi:10.1002/pmic.200600625]
- Babushok VI, Linstrom PJ, Reed JJ, Zenkevich IG, Brown RL, Mallard WG, Stein SE.
“Development of a database of gas chromatographic retention properties of organic compounds”,
JOURNAL OF CHROMATOGRAPHY A Volume: 1157 Issue: 1-2 Pages: 414-421 JUL 20 2007. [doi:10.1016/j.chroma.2007.05.044]
- Stein SE, Babushok VI, Brown RL, Linstrom PJ
“Estimation of Kovats retention indices using group contributions”
JOURNAL OF CHEMICAL INFORMATION AND MODELING Volume: 47 Issue: 3 Pages: 975-980 MAY-JUN 2007. [doi:10.1021/ci600548y]
- Lam H, Deutsch EW , Eddes JS, Eng JK, Stein SE , Aebersold R.
“Building consensus spectral libraries for peptide identification in proteomics”
NATURE METHODS Volume: 5 Issue: 10 Pages: 873-875 Published: OCT 2008. [doi:10.1038/nmeth.1254]
Presentations
If you have difficulty accessing any of any of these documents, please
contact the Chemical Reference Data Group
office for assistance.