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140 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Liang Y, Simón-Manso Y, Neta P, Yang X, Stein SE. CID Fragmentation of Deprotonated -Acyl Aromatic Sulfonamides. Smiles-Type and Nitrogen-Oxygen Rearrangements. Journal of the American Society For Mass Spectrometry. PMID 33586949 DOI: 10.1021/jasms.0c00470  0.32
2021 Dong Q, Yan X, Liang Y, Markey SP, Sheetlin SL, Remoroza CA, Wallace WE, Stein SE. Comprehensive Analysis of Tryptic Peptides Arising from Disulfide Linkages in NISTmAb and Their Use for Developing a Mass Spectral Library. Journal of Proteome Research. PMID 33555887 DOI: 10.1021/acs.jproteome.0c00823  0.32
2021 Telu KH, Marupaka R, Andriamaharavo NR, Simón-Manso Y, Liang Y, Mirokhin YA, Bukhari TH, Preston RJ, Kashi L, Kelman Z, Stein SE. Creation and Filtering of a Recurrent Spectral Library of CHO Cell Metabolites and Media Components. Biotechnology and Bioengineering. PMID 33404064 DOI: 10.1002/bit.27661  0.36
2020 Remoroza CA, Liang Y, Mak TD, Mirokhin YA, Sheetlin SL, Yang X, San Andres JV, Power ML, Stein SE. 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. Analytical Chemistry. PMID 32639750 DOI: 10.1021/acs.analchem.0c00342  0.36
2020 Yan X, Markey SP, Marupaka R, Dong Q, Cooper BT, Mirokhin YA, Wallace WE, Stein SE. A Mass Spectral Library of Acylcarnitines Derived from Human Urine. Analytical Chemistry. PMID 32271007 DOI: 10.1021/acs.analchem.0c00129  0.36
2019 Simón-Manso Y, Marupaka R, Yan X, Liang Y, Telu KH, Mirokhin Y, Stein SE. Correction to Mass Spectrometry Fingerprints of Small-Molecule Metabolites in Biofluids: Building a Spectral Library of Recurrent Spectra for Urine Analysis. Analytical Chemistry. PMID 31859486 DOI: 10.1021/acs.analchem.9b05505  0.32
2019 Zhang Z, Burke MC, Wallace WE, Liang Y, Sheetlin SL, Mirokhin YA, Tchekhovskoi DV, Stein SE. Sensitive Method for the Confident Identification of Genetically Variant Peptides in Human Hair Keratin. Journal of Forensic Sciences. PMID 31670846 DOI: 10.1111/1556-4029.14229  0.36
2019 Cooper BT, Yan X, Simón-Manso Y, Tchekhovskoi DV, Mirokhin YA, Stein SE. Hybrid Search: A Method for Identifying Metabolites Absent from Tandem Mass Spectrometry Libraries. Analytical Chemistry. PMID 31600070 DOI: 10.1021/acs.analchem.9b03415  0.36
2019 Simón-Manso Y, Marupaka R, Yan X, Liang Y, Telu KH, Mirokhin YA, Stein SE. Mass Spectrometry Fingerprints of Small-Molecule Metabolites in Biofluids - Building a Spectral Library of Recurrent Spectra for Urine Analysis. Analytical Chemistry. PMID 31424920 DOI: 10.1021/acs.analchem.9b02977  0.36
2019 Burke MC, Zhang Z, Mirokhin YA, Tchekhovskoi DV, Liang Y, Stein SE. FDR Estimation for Hybrid Mass Spectral Library Search Identifications in Bottom-up Proteomics. Journal of Proteome Research. PMID 31364354 DOI: 10.1021/acs.jproteome.8b00863  0.36
2018 De Leoz MLA, Simón-Manso Y, Woods RJ, Stein SE. Cross-Ring Fragmentation Patterns in the Tandem Mass Spectra of Underivatized Sialylated Oligosaccharides and Their Special Suitability for Spectrum Library Searching. Journal of the American Society For Mass Spectrometry. PMID 30565163 DOI: 10.1007/s13361-018-2106-8  0.32
2018 Remoroza CA, Mak TD, De Leoz ML, Mirokhin YA, Stein SE. Creating a Mass Spectral Reference Library for Oligosaccharides in Human Milk. Analytical Chemistry. PMID 29969231 DOI: 10.1021/acs.analchem.8b01176  0.36
2018 Dong Q, Liang Y, Yan X, Markey SP, Mirokhin YA, Tchekhovskoi DV, Bukhari TH, Stein SE. The NISTmAb tryptic peptide spectral library for monoclonal antibody characterization. Mabs. 0. PMID 29425077 DOI: 10.1080/19420862.2018.1436921  0.36
2017 Zhang Z, Burke M, Mirokhin YA, Tchekhovskoi DV, Markey SP, Yu W, Chaerkady R, Hess S, Stein SE. Reverse and Random Decoy Methods for False Discovery Rate Estimation in High Mass Accuracy Peptide Spectral Library Searches. Journal of Proteome Research. PMID 29281288 DOI: 10.1021/acs.jproteome.7b00614  0.36
2017 Moorthy AS, Wallace WE, Kearsley AJ, Tchekhovskoi DV, Stein SE. Combining fragment-ion and neutral-loss matching during mass spectral library searching: A new general purpose algorithm applicable to illicit drug identification. Analytical Chemistry. PMID 29156120 DOI: 10.1021/acs.analchem.7b03320  0.32
2017 Liang Y, Neta P, Yang X, Stein SE. Collision-Induced Dissociation of Deprotonated Peptides. Relative Abundance of Side-Chain Neutral Losses, Residue-Specific Product Ions, and Comparison with Protonated Peptides. Journal of the American Society For Mass Spectrometry. PMID 29143271 DOI: 10.1007/s13361-017-1842-5  0.32
2017 Burke MC, Mirokhin YA, Tchekhovskoi DV, Markey SP, Heidbrink Thompson JL, Larkin C, Stein SE. The Hybrid Search: A Mass Spectral Library Search Method for Discovery of Modifications in Proteomics. Journal of Proteome Research. PMID 28367633 DOI: 10.1021/acs.jproteome.6b00988  0.36
2017 Wallace WE, Ji W, Tchekhovskoi DV, Phinney KW, Stein SE. Mass Spectral Library Quality Assurance by Inter-Library Comparison. Journal of the American Society For Mass Spectrometry. PMID 28127680 DOI: 10.1007/s13361-016-1589-4  0.32
2017 Telu KH, Yan X, Wallace WE, Stein SE, Simón-Manso Y. Analysis of human plasma metabolites across different liquid chromatography/mass spectrometry platforms: Cross-platform transferable chemical signatures. Rapid Communications in Mass Spectrometry : Rcm. 31: 152. PMID 27943490 DOI: 10.1002/rcm.7773  0.32
2016 Zhang Z, Yang X, Mirokhin YA, Tchekhovskoi DV, Ji W, Markey SP, Roth J, Neta P, Baycin Hizal D, Bowen MA, Stein SE. Interconversion of Peptide Mass Spectral Libraries Derivatized with iTRAQ or TMT Labels. Journal of Proteome Research. PMID 27386737 DOI: 10.1021/acs.jproteome.6b00406  1
2016 Dong Q, Yan X, Liang Y, Stein SE. In-depth Characterization and Spectral Library Building of Glycopeptides in the Tryptic Digest of a Monoclonal Antibody Using 1D and 2D LC-MS/MS. Journal of Proteome Research. PMID 26990841 DOI: 10.1021/acs.jproteome.5b01046  0.32
2016 Rudnick PA, Markey SP, Roth J, Mirokhin Y, Yan X, Tchekhovskoi DV, Edwards NJ, Thangudu RR, Ketchum KA, Kinsinger CR, Mesri M, Rodriguez H, Stein SE. A Description of the Clinical Proteomic Tumor Analysis Consortium (CPTAC) Common Data Analysis Pipeline. Journal of Proteome Research. PMID 26860878 DOI: 10.1021/acs.jproteome.5b01091  0.32
2016 Telu KH, Yan X, Wallace WE, Stein SE, Simón-Manso Y. Analysis of human plasma metabolites across different liquid chromatography/mass spectrometry platforms: Cross-platform transferable chemical signatures. Rapid Communications in Mass Spectrometry : Rcm. 30: 581-93. PMID 26842580 DOI: 10.1002/rcm.7475  0.32
2015 Liang Y, Neta P, Simón-Manso Y, Stein SE. Reaction of arylium ions with the collision gas N2 in electrospray ionization mass spectrometry. Rapid Communications in Mass Spectrometry : Rcm. 29: 629-36. PMID 26212280 DOI: 10.1002/rcm.7147  0.32
2015 Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier Journal of Cheminformatics. 7. DOI: 10.1186/s13321-015-0068-4  1
2015 Liang Y, Neta P, Simõn-Manso Y, Stein SE. Reaction of arylium ions with the collision gas N2 in electrospray ionization mass spectrometry Rapid Communications in Mass Spectrometry. 29: 629-636. DOI: 10.1002/rcm.7147  0.32
2014 Neta P, Farahani M, Simón-Manso Y, Liang Y, Yang X, Stein SE. Unexpected peaks in tandem mass spectra due to reaction of product ions with residual water in mass spectrometer collision cells Rapid Communications in Mass Spectrometry. 28: 2645-2660. PMID 25366411 DOI: 10.1002/rcm.7055  0.32
2014 Mallard WG, Andriamaharavo NR, Mirokhin YA, Halket JM, Stein SE. Creation of libraries of recurring mass spectra from large data sets assisted by a dual-column workflow. Analytical Chemistry. 86: 10231-8. PMID 25233296 DOI: 10.1021/ac502379x  0.4
2014 Neta P, Simón-Manso Y, Liang Y, Stein SE. Loss of H2 and CO from protonated aldehydes in electrospray ionization mass spectrometry. Rapid Communications in Mass Spectrometry : Rcm. 28: 1871-82. PMID 25088131 DOI: 10.1002/rcm.6968  0.32
2014 Zhang B, Wang J, Wang X, Zhu J, Liu Q, Shi Z, Chambers MC, Zimmerman LJ, Shaddox KF, Kim S, Davies SR, Wang S, Wang P, Kinsinger CR, Rivers RC, et al. Proteogenomic characterization of human colon and rectal cancer. Nature. 513: 382-7. PMID 25043054 DOI: 10.1038/nature13438  0.32
2014 Dong Q, Yan X, Kilpatrick LE, Liang Y, Mirokhin YA, Roth JS, Rudnick PA, Stein SE. Tandem mass spectral libraries of peptides in digests of individual proteins: Human Serum Albumin (HSA). Molecular & Cellular Proteomics : McP. 13: 2435-49. PMID 24889059 DOI: 10.1074/mcp.O113.037135  0.32
2014 Rudnick PA, Wang X, Yan X, Sedransk N, Stein SE. Improved normalization of systematic biases affecting ion current measurements in label-free proteomics data Molecular and Cellular Proteomics. 13: 1341-1351. PMID 24563535 DOI: 10.1074/mcp.M113.030593  0.32
2014 Wang X, Chambers MC, Vega-Montoto LJ, Bunk DM, Stein SE, Tabb DL. QC metrics from CPTAC raw LC-MS/MS data interpreted through multivariate statistics. Analytical Chemistry. 86: 2497-509. PMID 24494671 DOI: 10.1021/ac4034455  0.32
2014 Lowenthal MS, Liang Y, Phinney KW, Stein SE. Quantitative bottom-up proteomics depends on digestion conditions. Analytical Chemistry. 86: 551-8. PMID 24294946 DOI: 10.1021/ac4027274  0.32
2014 Mallard WG, Andriamaharavo NR, Mirokhin YA, Halket JM, Stein SE. Creation of libraries of recurring mass spectra from large data sets assisted by a dual-column workflow Analytical Chemistry. 86: 10231-10238. DOI: 10.1021/ac502379x  0.32
2014 Yang X, Neta P, Stein SE. Quality control for building libraries from electrospray ionization tandem mass spectra Analytical Chemistry. 86: 6393-6400. DOI: 10.1021/ac500711m  0.32
2014 Neta P, Simón-Manso Y, Liang Y, Stein SE. Loss of H2 and CO from protonated aldehydes in electrospray ionization mass spectrometry Rapid Communications in Mass Spectrometry. 28: 1871-1882. DOI: 10.1002/rcm.6968  0.32
2013 Simón-Manso Y, Lowenthal MS, Kilpatrick LE, Sampson ML, Telu KH, Rudnick PA, Mallard WG, Bearden DW, Schock TB, Tchekhovskoi DV, Blonder N, Yan X, Liang Y, Zheng Y, Wallace WE, ... ... Stein SE, et al. Metabolite profiling of a NIST Standard Reference Material for human plasma (SRM 1950): GC-MS, LC-MS, NMR, and clinical laboratory analyses, libraries, and web-based resources. Analytical Chemistry. 85: 11725-31. PMID 24147600 DOI: 10.1021/ac402503m  0.32
2013 Walmsley SJ, Rudnick PA, Liang Y, Dong Q, Stein SE, Nesvizhskii AI. Comprehensive analysis of protein digestion using six trypsins reveals the origin of trypsin as a significant source of variability in proteomics. Journal of Proteome Research. 12: 5666-80. PMID 24116745 DOI: 10.1021/pr400611h  1
2013 Lowenthal MS, Andriamaharavo NR, Stein SE, Phinney KW. Characterizing Vaccinium berry Standard Reference Materials by GC-MS using NIST spectral libraries. Analytical and Bioanalytical Chemistry. 405: 4467-76. PMID 23291961 DOI: 10.1007/s00216-012-6610-6  0.32
2013 Lowenthal MS, Phillips MM, Rimmer CA, Rudnick PA, Simón-Manso Y, Stein SE, Tchekhovskoi D, Phinney KW. Developing qualitative LC-MS methods for characterization of Vaccinium berry Standard Reference Materials. Analytical and Bioanalytical Chemistry. 405: 4451-65. PMID 22941178 DOI: 10.1007/s00216-012-6346-3  0.32
2012 Kilpatrick LE, Neta P, Yang X, Simón-Manso Y, Liang Y, Stein SE. Formation of y + 10 and y + 11 ions in the collision-induced dissociation of peptide ions Journal of the American Society For Mass Spectrometry. 23: 655-663. PMID 22161574 DOI: 10.1007/s13361-011-0277-7  0.32
2012 Kinsinger CR, Apffel J, Baker M, Bian X, Borchers CH, Bradshaw R, Brusniak MY, Chan DW, Deutsch EW, Domon B, Gorman J, Grimm R, Hancock W, Hermjakob H, Horn D, ... ... Stein SE, et al. Recommendations for mass spectrometry data quality metrics for open access data (corollary to the Amsterdam principles). Proteomics. 12: 11-20. PMID 22069307 DOI: 10.1002/pmic.201100562  0.32
2011 Kinsinger CR, Apffel J, Baker M, Bian X, Borchers CH, Bradshaw R, Brusniak MY, Chan DW, Deutsch EW, Domon B, Gorman J, Grimm R, Hancock W, Hermjakob H, Horn D, ... ... Stein SE, et al. Recommendations for mass spectrometry data quality metrics for open access data (corollary to the Amsterdam principles). Proteomics. Clinical Applications. 5: 580-9. PMID 22213554 DOI: 10.1002/prca.201100097  0.32
2011 Simón-Manso Y, Neta P, Yang X, Stein SE. Loss of 45 Da from a 2 ions and preferential loss of 48 Da from a 2 ions containing methionine in peptide ion tandem mass spectra Journal of the American Society For Mass Spectrometry. 22: 280-289. PMID 21472587 DOI: 10.1007/s13361-010-0025-4  0.32
2011 Neta P, Stein SE. Charge states of y ions in the collision-induced dissociation of doubly charged tryptic peptide ions Journal of the American Society For Mass Spectrometry. 22: 898-905. PMID 21472524 DOI: 10.1007/s13361-011-0089-9  0.32
2011 Todua NG, Tretyakov KV, Borisov RS, Zhilyaev DI, Zaikin VG, Stein SE, Mikaia AI. Electron ionization mass spectra of alkylated sulfabenzamides Rapid Communications in Mass Spectrometry. 25: 750-754. PMID 21337636 DOI: 10.1002/rcm.4918  0.32
2011 Frenkel M, Chirico RD, Diky V, Brown PL, Dymond JH, Goldberg RN, Goodwin ARH, Heerklotz H, Königsberger E, Ladbury JE, Marsh KN, Remeta DP, Stein SE, Wakeham WA, Williams PA. Extension of ThermoML: The IUPAC standard for thermodynamic data communications (IUPAC Recommendations 2011) Pure and Applied Chemistry. 83: 1937-1969. DOI: 10.1351/PAC-REC-11-05-01  0.32
2011 Frenkel M, Diky V, Chirico RD, Goldberg RN, Heerklotz H, Ladbury JE, Remeta DP, Dymond JH, Goodwin ARH, Marsh KN, Wakeham WA, Stein SE, Brown PL, Königsberger E, Williams PA. ThermoML: An XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. 5. Speciation and complex equilibria Journal of Chemical and Engineering Data. 56: 307-316. DOI: 10.1021/je100999j  0.32
2010 Neta P, Godugu B, Liang Y, Simón-Manso Y, Yang X, Stein SE. Electrospray tandem quadrupole fragmentation of quinolone drugs and related ions. on the reversibility of water loss from protonated molecules Rapid Communications in Mass Spectrometry. 24: 3271-3278. PMID 20973001 DOI: 10.1002/rcm.4769  0.32
2010 Tu C, Rudnick PA, Martinez MY, Cheek KL, Stein SE, Slebos RJC, Liebler DC. Depletion of abundant plasma proteins and limitations of plasma proteomics Journal of Proteome Research. 9: 4982-4991. PMID 20677825 DOI: 10.1021/pr100646w  0.32
2010 Godugu B, Neta P, Simón-Manso Y, Stein SE. Effect of n-terminal glutamic acid and glutamine on fragmentation of peptide ions Journal of the American Society For Mass Spectrometry. 21: 1169-1176. PMID 20413325 DOI: 10.1016/j.jasms.2010.03.027  0.32
2010 Johann DJ, Wei BR, Prieto DA, Chan KC, Ye X, Valera VA, Simpson RM, Rudnick PA, Xiao Z, Issaq HJ, Linehan WM, Stein SE, Veenstra TD, Blonder J. Combined blood/tissue analysis for cancer biomarker discovery: Application to renal cell carcinoma Analytical Chemistry. 82: 1584-1588. PMID 20121140 DOI: 10.1021/ac902204k  0.32
2010 Tabb DL, Vega-Montoto L, Rudnick PA, Variyath AM, Ham AJ, Bunk DM, Kilpatrick LE, Billheimer DD, Blackman RK, Cardasis HL, Carr SA, Clauser KR, Jaffe JD, Kowalski KA, Neubert TA, ... ... Stein SE, et al. Repeatability and reproducibility in proteomic identifications by liquid chromatography-tandem mass spectrometry. Journal of Proteome Research. 9: 761-76. PMID 19921851 DOI: 10.1021/pr9006365  0.32
2010 Paulovich AG, Billheimer D, Ham AJ, Vega-Montoto L, Rudnick PA, Tabb DL, Wang P, Blackman RK, Bunk DM, Cardasis HL, Clauser KR, Kinsinger CR, Schilling B, Tegeler TJ, Variyath AM, ... ... Stein SE, et al. Interlaboratory study characterizing a yeast performance standard for benchmarking LC-MS platform performance. Molecular & Cellular Proteomics : McP. 9: 242-54. PMID 19858499 DOI: 10.1074/mcp.M900222-MCP200  0.32
2010 Rudnick PA, Clauser KR, Kilpatrick LE, Tchekhovskoi DV, Neta P, Blonder N, Billheimer DD, Blackman RK, Bunk DM, Cardasis HL, Ham AJ, Jaffe JD, Kinsinger CR, Mesri M, Neubert TA, ... ... Stein SE, et al. Performance metrics for liquid chromatography-tandem mass spectrometry systems in proteomics analyses. Molecular & Cellular Proteomics : McP. 9: 225-41. PMID 19837981 DOI: 10.1074/mcp.M900223-MCP200  0.32
2010 Knyazev VD, Stein SE. Monte carlo/RRKM/classical trajectories modeling of collisional excitation and dissociation of n -butylbenzene ion in multipole collision cells of tandem mass spectrometers Journal of Physical Chemistry A. 114: 6384-6393. DOI: 10.1021/jp101526m  0.32
2010 Knyazev VD, Stein SE. Classical Trajectories and RRKM Modeling of Collisional Excitation and Dissociation of Benzylammonium and tert-Butyl Benzylammonium Ions in a Quadrupole-Hexapole-Quadrupole Tandem Mass Spectrometer Journal of the American Society For Mass Spectrometry. 21: 425-439. DOI: 10.1016/j.jasms.2009.11.007  0.32
2010 Tretyakov KV, Todua NG, Borisov RS, Zaikin VG, Stein SE, Mikaia AI. Unique para-effect in electron ionization mass spectra of bis(perfluoroacyl) derivatives of bifunctional aminobenzenes Rapid Communications in Mass Spectrometry. 24: 2529-2532. DOI: 10.1002/rcm.4661  0.32
2009 Zenkevich IG, Babushok VI, Linstrom PJ, White EV, Stein SE. Application of histograms in evaluation of large collections of gas chromatographic retention indices. Journal of Chromatography. A. 1216: 6651-61. PMID 19683242 DOI: 10.1016/j.chroma.2009.07.065  0.32
2009 Rodriguez H, Snyder M, Uhlén M, Andrews P, Beavis R, Borchers C, Chalkley RJ, Cho SY, Cottingham K, Dunn M, Dylag T, Edgar R, Hare P, Heck AJ, Hirsch RF, ... ... Stein SE, et al. Recommendations from the 2008 International Summit on Proteomics Data Release and Sharing Policy: the Amsterdam principles. Journal of Proteome Research. 8: 3689-92. PMID 19344107 DOI: 10.1021/pr900023z  1
2009 Loevenich SN, Brunner E, King NL, Deutsch EW, Stein SE, Aebersold R, Hafen E. The Drosophila melanogaster PeptideAtlas facilitates the use of peptide data for improved fly proteomics and genome annotation. Bmc Bioinformatics. 10: 59. PMID 19210778 DOI: 10.1186/1471-2105-10-59  1
2009 Neta P, Simon-Manso Y, Yang X, Stein SE. Collisional Energy Dependence of Peptide Ion Fragmentation Journal of the American Society For Mass Spectrometry. 20: 469-476. PMID 19056297 DOI: 10.1016/j.jasms.2008.11.005  1
2009 Zenkevich IG, Babushok VI, Linstrom PJ, White V E, Stein SE. Application of histograms in evaluation of large collections of gas chromatographic retention indices Journal of Chromatography A. 1216: 6651-6661. DOI: 10.1016/j.chroma.2009.07.065  0.32
2008 Lam H, Deutsch EW, Eddes JS, Eng JK, Stein SE, Aebersold R. Building consensus spectral libraries for peptide identification in proteomics. Nature Methods. 5: 873-5. PMID 18806791 DOI: 10.1038/nmeth.1254  1
2007 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. 1157: 414-421. PMID 17543315 DOI: 10.1016/j.chroma.2007.05.044  1
2007 Stein SE, Babushok VI, Brown RL, Linstrom PJ. Estimation of Kováts retention indices using group contributions. Journal of Chemical Information and Modeling. 47: 975-80. PMID 17367127 DOI: 10.1021/ci600548y  0.32
2007 Lam H, Deutsch EW, Eddes JS, Eng JK, King N, Stein SE, Aebersold R. Development and validation of a spectral library searching method for peptide identification from MS/MS Proteomics. 7: 655-667. PMID 17295354 DOI: 10.1002/pmic.200600625  1
2007 Campbell JM, Vestal ML, Blank PS, Stein SE, Epstein JA, Yergey AL. Fragmentation of leucine enkephalin as a function of laser fluence in a MALDI TOF-TOF. Journal of the American Society For Mass Spectrometry. 18: 607-16. PMID 17204430 DOI: 10.1016/j.jasms.2006.11.008  1
2007 Neta P, Pu QL, Kilpatrick L, Yang X, Stein SE. Dehydration Versus Deamination of N-Terminal Glutamine in Collision-Induced Dissociation of Protonated Peptides Journal of the American Society For Mass Spectrometry. 18: 27-36. PMID 17005415 DOI: 10.1016/j.jasms.2006.08.016  1
2007 Stein SE, Babushok VI, Brown RL, Linstrom PJ. Estimation of kováts retention indices using group contributions Journal of Chemical Information and Modeling. 47: 975-980. DOI: 10.1021/ci600548y  1
2007 Neta P, Pu QL, Yang X, 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. 267: 295-301. DOI: 10.1016/j.ijms.2007.02.055  1
2006 Frenkel M, Chirico RD, Diky V, Muzny C, Dong Q, Marsh KN, Dymond JH, Wakeham WA, Stein SE, Königsberger E, Goodwin AR, Magee JW, Thijssen M, Haynes WM, Watanasiri S, et al. New global communication process in thermodynamics: impact on quality of published experimental data. Journal of Chemical Information and Modeling. 46: 2487-93. PMID 17125189 DOI: 10.1021/ci600208f  1
2006 Barker PE, Wagner PD, Stein SE, Bunk DM, Srivastava S, Omenn GS. Standards for plasma and serum proteomics in early cancer detection: A needs assessment report from the National Institute of Standards and Technology-National Cancer Institute Standards, Methods, Assays, Reagents and Technologies Workshop, August 18-19, 2005 Clinical Chemistry. 52: 1669-1674. PMID 16840585 DOI: 10.1373/clinchem.2006.067249  1
2006 Frenkel M, Chirico RD, Diky V, Dong Q, Marsh KN, Dymond JH, Wakeham WA, Stein SE, Königsberger E, Goodwin ARH. XML-based IUPAC standard for experimental predicted, and critically evaluated thermodynamic property data and storage and capture (ThermoML): (IUPAC recommendations 2008) Pure and Applied Chemistry. 78: 541-612. DOI: 10.1351/pac200678030541  1
2006 Stein SE, Heller DN. On the Risk of False Positive Identification Using Multiple Ion Monitoring in Qualitative Mass Spectrometry: Large-Scale Intercomparisons with a Comprehensive Mass Spectral Library Journal of the American Society For Mass Spectrometry. 17: 823-835. DOI: 10.1016/j.jasms.2006.02.021  1
2003 Bethem R, Boison J, Gale J, Heller D, Lehotay S, Loo J, Musser S, Price P, Stein S. Establishing the fitness for purpose of mass spectrometric methods. Journal of the American Society For Mass Spectrometry. 14: 528-41. PMID 12745222 DOI: 10.1016/S1044-0305(03)00137-5  1
1999 Ausloos P, Clifton CL, Lias SG, Mikaya AI, Stein SE, Tchekhovskoi DV, Sparkman OD, Zaikin V, Zhu D. The critical evaluation of a comprehensive mass spectral library. Journal of the American Society For Mass Spectrometry. 10: 287-99. PMID 10197350 DOI: 10.1016/S1044-0305(98)00159-7  1
1999 Halket JM, Przyborowska A, Stein SE, Mallard WG, Down S, Chalmers RA. Deconvolution gas chromatography/mass spectrometry of urinary organic acids - Potential for pattern recognition and automated identification of metabolic disorders Rapid Communications in Mass Spectrometry. 13: 279-284. PMID 10097403 DOI: 10.1002/(SICI)1097-0231(19990228)13:4<279::AID-RCM478>3.0.CO;2-I  1
1999 Stein SE. An integrated method for spectrum extraction and compound identification from gas chromatography/mass spectrometry data Journal of the American Society For Mass Spectrometry. 10: 770-781. DOI: 10.1016/S1044-0305(99)00047-1  1
1995 Stein SE. Chemical substructure identification by mass spectral library searching Journal of the American Society For Mass Spectrometry. 6: 644-655. DOI: 10.1016/1044-0305(95)00291-K  1
1994 Stein SE, Scott DR. Optimization and testing of mass spectral library search algorithms for compound identification Journal of the American Society For Mass Spectrometry. 5: 859-866. DOI: 10.1016/1044-0305(94)87009-8  1
1994 Stein SE. Estimating probabilities of correct identification from results of mass spectral library searches Journal of the American Society For Mass Spectrometry. 5: 316-323. DOI: 10.1016/1044-0305(94)85022-4  1
1994 Stein SE, Brown RL. Estimation of normal boiling points from group contributions Journal of Chemical Information and Computer Sciences. 34: 581-587.  1
1993 Scott DR, Levitsky A, Stein SE. Large scale evaluation of a pattern recognition/expert system for mass spectral molecular weight estimation Analytica Chimica Acta. 278: 137-147. DOI: 10.1016/0003-2670(93)80092-Y  1
1992 Shoemaker JD, Stein SE. Letters to the editor Journal of the American Society For Mass Spectrometry. 3: 472-473. DOI: 10.1016/1044-0305(92)87077-C  1
1991 Stein SE, Walker JA, Suryan MM, Fahr A. A new path to benzene in flames Symposium (International) On Combustion. 23: 85-90. DOI: 10.1016/S0082-0784(06)80245-6  1
1991 Stein SE, Ausloos P, Lias SG. Comparative Evaluations of Mass Spectral Databases Journal of the American Society For Mass Spectrometry. 2: 441-443. DOI: 10.1016/1044-0305(91)85012-U  1
1991 Stein SE. Thermal reactions and properties of polycyclic aromatic hydrocarbons Accounts of Chemical Research. 24: 350-356.  1
1991 Stein SE, Brown RL. Prediction of carbon-hydrogen bond dissociation energies for polycyclic aromatic hydrocarbons of arbitrary size Journal of the American Chemical Society. 113: 787-793.  1
1990 Herron JT, Stein SE, Tsang W, Golden DM. Introductory remarks Journal of Physical Chemistry. 94: 3229-3230.  1
1990 Stein SE. Diamond and graphite precursors Nature. 346: 517.  1
1989 Fahr A, Stein SE. Reactions of vinyl and phenyl radicals with ethyne, ethene and benzene Symposium (International) On Combustion. 22: 1023-1029. DOI: 10.1016/S0082-0784(89)80112-2  0.4
1989 Chen RH, Kafafi SA, Stein SE. Reactivity of polycyclic aromatic aryl radicals Journal of the American Chemical Society. 111: 1418-1423.  1
1989 Lias SG, Stein SE. Mass spectral databases [2] Chemical and Engineering News. 67: 2.  1
1989 Suryan MM, Kafafi SA, Stein SE. Dissociation of substituted anisoles: Substituent effects on bond strengths Journal of the American Chemical Society. 111: 4594-4600.  1
1989 Suryan MM, Kafafi SA, Stein SE. The thermal decomposition of hydroxy- and methoxy-substituted anisoles Journal of the American Chemical Society. 111: 1423-1429.  1
1989 Suryan MM, Stein SE. Stabilities of substituted benzyl radicals: Dissociation rates of amino-, hydroxy-, and cyanoethylbenzenes Journal of Physical Chemistry. 93: 7362-7365.  1
1988 Frenklach M, Clary DW, Gardiner WC, Stein SE. Effect of fuel structure on pathways to soot Symposium (International) On Combustion. 21: 1067-1076. DOI: 10.1016/S0082-0784(88)80337-0  1
1988 Fahr A, Gary Mallard W, Stein SE. Reactions of phenyl radicals with ethene, ethyne, and benzene Symposium (International) On Combustion. 21: 825-831. DOI: 10.1016/S0082-0784(88)80314-X  1
1988 Senthilnathan VP, Stein SE. Mechanisms of condensation of biaryl hydrocarbons Journal of Organic Chemistry. 53: 3000-3007.  1
1988 Stein SE, Senthilnathan VP. Thermal polymerization of O-, M-, and P-dihydroxybenzenes Preprints Symposia. 33: 403.  1
1988 Fahr A, Stein SE. Gas-phase reactions of phenyl radicals with aromatic molecules Journal of Physical Chemistry. 92: 4951-4955.  1
1987 Stein SE, Brown RL. π-Electron properties of large condensed polyaromatic hydrocarbons Journal of the American Chemical Society. 109: 3721-3729.  1
1987 Stein SE, Griffith LL, Billmers R, Chen RH. Pyrocondensation of anthracene Journal of Organic Chemistry. 52: 1582-1591.  1
1986 Robaugh DA, Stein SE. Stabilities of highly conjugated radicals from bond homolysis rates Journal of the American Chemical Society. 108: 3224-3229.  1
1986 Herron JT, Tsang W, Stein SE, Golden DM. International conference on chemical kinetics Journal of Physical Chemistry. 90: 343-344.  1
1986 Stein SE, Senthilnathan VP. Mechanisms of ring formation in the pyrolysis of polycyclic aromatic hydrocarbons Preprints Symposia. 31: 848.  1
1986 Billmers R, Griffith LL, Stein SE. Hydrogen transfer between anthracene structures Journal of Physical Chemistry. 90: 517-523.  1
1985 Frenklach M, Clary DW, Gardiner WC, Stein SE. Detailed kinetic modeling of soot formation in shock-tube pyrolysis of acetylene Symposium (International) On Combustion. 20: 887-901. DOI: 10.1016/S0082-0784(85)80578-6  1
1985 Stein SE, Brown RL. Chemical theory of graphite-like molecules Carbon. 23: 105-109. DOI: 10.1016/0008-6223(85)90204-0  1
1985 Stein SE, Brown RL. CHEMICAL THEORY OF GRAPHITE Extended Abstracts and Program - Biennial Conference On Carbon. 215.  1
1985 Stein SE, Fahr A. High-temperature stabilities of hydrocarbons Journal of Physical Chemistry. 89: 3714-3725.  1
1985 Manka MJ, Brown RL, Stein SE. Flow ESR and static studies of the decomposition of phenyl-substituted ethanes Journal of Physical Chemistry. 89: 5421-5427.  1
1985 Billmers RL, Griffith LL, Stein SE. HYDROGEN TRANSFER BETWEEN 9,10-POSITIONS IN ANTHRACENE AND PHENANTHRENE Acs Division of Fuel Chemistry, Preprints. 30: 283-290.  1
1985 Stein SE. FREE RADICALS IN COAL CONVERSION Chem of Coal Convers. 13-44.  1
1984 Greenberg A, Stein SE, Brown RL. Relative thermochemical stabilities and reactivities of benzo[a]pyrene and selected isomers Science of the Total Environment, The. 40: 219-221,224-230. DOI: 10.1016/0048-9697(84)90352-8  1
1984 Manka MJ, Stein SE. Disproportionation-recombination rate ratios for hydroaromatic radicals Journal of Physical Chemistry. 88: 5914-5919.  1
1984 Stein SE, Brown RL, Griffith LL, Manka M. CHEMICAL FUNDAMENTALS OF COAL CHAR FORMATION Acs Division of Fuel Chemistry, Preprints. 29: 42-48.  1
1984 Mallard WG, Fahr A, Stein SE. RATE CONSTANTS FOR PHENYL REACTIONS WITH ETHYLENE AND ACETYLENE Chemical and Physical Processes in Combustion, Fall Technical Meeting, the Eastern States Section. 92. 1-92. 4.  1
1983 Stein SE. Structure and equilibria of polyaromatic flame ions Combustion and Flame. 51: 357-364. DOI: 10.1016/0010-2180(83)90113-X  1
1983 Stein SE, Griffith LL. LIQUID PHASE PYROLYSIS OF ANTHRACENE Extended Abstracts and Program - Biennial Conference On Carbon. 13.  1
1983 Stein SE, Manka M, Griffith LL. FREE RADICAL REACTIONS IN COAL THERMOLYSIS . 548-549.  1
1982 Stein SE, Robaugh DA, Alfieri AD, Miller RE. BOND HOMOLYSIS IN HIGH-TEMPERATURE FLUIDS Journal of the American Chemical Society. 104: 6567-6570.  1
1981 Barton BD, Stein SE. Pyrolysis of ethylpyridines. Relative stability of isomeric picolinyl radicals Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 77: 1755-1762. DOI: 10.1039/F19817701755  1
1981 Stein SE. Application of additive estimation methods to vaporization properties of liquids. n-alkanes Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 77: 1457-1467. DOI: 10.1039/F19817701457  1
1981 Stein SE, Barton BD. Chemical thermodynamics of polyaromatic compounds containing heteroatoms and five-membered rings Thermochimica Acta. 44: 265-281. DOI: 10.1016/0040-6031(81)85020-4  1
1981 Stein SE. Thermochemical kinetics of anthracene pyrolysis Carbon. 19: 421-429. DOI: 10.1016/0008-6223(81)90025-7  1
1981 Miller RE, Stein SE. Liquid-phase pyrolysis of 1,2-diphenylethane Journal of Physical Chemistry. 85: 580-589.  1
1981 Robaugh DA, Barton BD, Stein SE. Thermal decomposition of propyl-, isobutyl-, and neopentylbenzene Journal of Physical Chemistry. 85: 2378-2383.  1
1981 Stein SE. Comparison of equilibrium constants in gas and liquid phases Journal of the American Chemical Society. 103: 5685-5690.  1
1980 Barton BD, Stein SE. Pyrolysis of alkyl benzenes. Relative stabilities of methyl-substituted benzyl radicals Journal of Physical Chemistry. 84: 2141-2145.  1
1978 Stein SE. On the high temperature chemical equilibria of polycyclic aromatic hydrocarbons Journal of Physical Chemistry. 82: 566-571.  1
1977 Stein SE, Rabinovitch BS. On the use of exact state counting methods in RRKM rate calculations Chemical Physics Letters. 49: 183-188. DOI: 10.1016/0009-2614(77)80471-5  1
1977 Stein SE, Golden DM, Benson SW. Predictive scheme for thermochemical properties of polycyclic aromatic hydrocarbons Journal of Physical Chemistry. 81: 314-317.  1
1977 Stein SE, Golden DM. Resonance stabilization energies in polycyclic aromatic hydrocarbon radicals Journal of Organic Chemistry. 42: 839-841.  1
1976 Stein SE, Benson SW, Golden DM. Very low-pressure pyrolysis (VLPP) of hydrazine, ethanol, and formic acid on fused silica Journal of Catalysis. 44: 429-438. DOI: 10.1016/0021-9517(76)90420-6  1
1975 Stein SE, Rabinovitch BS. Ring opening and isomerization of a series of chemically activated cycloalkyl radicals Journal of Physical Chemistry. 79: 191-198.  1
1974 Stein SE, Rabinovitch BS. Examination of approximations to hindered internal rotation in the calculation of energy level sums The Journal of Chemical Physics. 60: 908-917.  1
1973 Stein SE, Rabinovitch BS. Accurate evaluation of internal energy level sums and densities including anharmonic oscillators and hindered rotors The Journal of Chemical Physics. 58: 2438-2445.  1
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