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94 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
2023 Moorthy AS, Kearsley AJ, Mallard WG, Wallace WE, Stein SE. Inferring the Nominal Molecular Mass of an Analyte from Its Electron Ionization Mass Spectrum. Analytical Chemistry. PMID 37610141 DOI: 10.1021/acs.analchem.3c01815  0.318
2022 Remoroza CA, Burke MC, Yang X, Sheetlin S, Mirokhin Y, Markey SP, Tchekhovskoi DV, Stein SE. Mass Spectral Library Methods for Analysis of Site-Specific N-Glycosylation: Application to Human Milk Proteins. Journal of Proteome Research. 21: 2421-2434. PMID 36112477 DOI: 10.1021/acs.jproteome.2c00286  0.387
2021 Remoroza CA, Burke MC, Liu Y, Mirokhin YA, Tchekhovskoi DV, Yang X, Stein SE. Representing and Comparing Site-Specific Glycan Abundance Distributions of Glycoproteins. Journal of Proteome Research. PMID 34327998 DOI: 10.1021/acs.jproteome.1c00442  0.344
2021 Yang X, Neta P, Mirokhin YA, Tchekhovskoi DV, Remoroza CA, Burke MC, Liang Y, Markey SP, Stein SE. MS_Piano: A Software Tool for Annotating Peaks in CID Tandem Mass Spectra of Peptides and N-Glycopeptides. Journal of Proteome Research. PMID 34264676 DOI: 10.1021/acs.jproteome.1c00324  0.337
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  0.796
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  0.492
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  0.512
2020 Mak TD, Goudarzi M, Laiakis EC, Stein SE. Disparate Metabolomics Data Reassembler: A Novel Algorithm for Agglomerating Incongruent LC-MS Metabolomics Datasets. Analytical Chemistry. PMID 32118408 DOI: 10.1021/Acs.Analchem.9B05763  0.451
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  0.78
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  0.311
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  0.453
2019 De Leoz MLA, Duewer DL, Fung A, Liu L, Yau HK, Potter O, Staples GO, Furuki K, Frenkel R, Hu Y, Sosic Z, Zhang P, Altmann F, Gruber C, Shao C, ... ... Stein SE, et al. NIST Interlaboratory Study on Glycosylation Analysis of Monoclonal Antibodies: Comparison of Results from Diverse Analytical Methods. Molecular & Cellular Proteomics : McP. PMID 31591262 DOI: 10.1074/Mcp.Ra119.001677  0.315
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  0.809
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  0.381
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  0.47
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  0.543
2018 Megutnishvili L, Todua N, Stein S, Mikaia A. Gas chromatographic-mass spectrometric characterization of thebaol, an opium constituent, and its structural analogs. Journal of Pharmaceutical and Biomedical Analysis. 157: 116-121. PMID 29783146 DOI: 10.1016/J.Jpba.2018.05.016  0.34
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  0.452
2018 Zhang Z, Burke MC, Mirokhin YA, Tchekhovskoi DV, Markey SP, Yu W, Chaerkady R, Hess S, Stein SE. Decoy Methods for False Discovery Rate Estimation in High Mass Accuracy Peptide Spectral Library Searches Journal of Proteome Research. 17. DOI: 10.1002/Https://Dx.Doi.Org/10.1021/Acs.Jproteome.7B00614  0.349
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  0.405
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  0.395
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 Yang X, Neta P, Stein SE. Extending a Tandem Mass Spectral Library to Include MS(2) Spectra of Fragment Ions Produced In-Source and MS(n) Spectra. Journal of the American Society For Mass Spectrometry. PMID 28721670 DOI: 10.1007/S13361-017-1748-2  0.456
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  0.443
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  0.366
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  0.79
2016 Telu KH, Yan X, Wallace WE, Stein SE, Simón-Manso Y. Human Plasma Metabolites Measured with Different Liquid Chromatography/Mass Spectrometry (LC/MS) Platforms. Journal of Research of the National Institute of Standards and Technology. 121: 434-435. PMID 34434633 DOI: 10.6028/jres.121.022  0.795
2016 Haynes PA, Stein SE, Washburn MP. Data quality issues in proteomics. Proteomics. PMID 27550836 DOI: 10.1002/Pmic.201600277  0.407
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  0.414
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  0.451
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  0.401
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  0.81
2016 Telu KH, Yan X, Wallace WE, Stein SE, Simón-Manso Y. Human Plasma Metabolites Measured with Different Liquid Chromatography/Mass Spectrometry (LC/MS) Platforms Journal of Research of the National Institute of Standards and Technology. 121: 434. DOI: 10.6028/Jres.121.022  0.805
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  0.384
2015 Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. Journal of Cheminformatics. 7: 23. PMID 26136848 DOI: 10.1186/S13321-015-0068-4  0.496
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  0.465
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  0.399
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  0.448
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  0.475
2014 Yang X, Neta P, Stein SE. Quality control for building libraries from electrospray ionization tandem mass spectra. Analytical Chemistry. 86: 6393-400. PMID 24896981 DOI: 10.1021/Ac500711M  0.531
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  0.459
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  0.319
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  0.442
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  0.404
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  0.307
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  0.793
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  0.372
2013 Heller S, McNaught A, Stein S, Tchekhovskoi D, Pletnev I. InChI - the worldwide chemical structure identifier standard. Journal of Cheminformatics. 5: 7. PMID 23343401 DOI: 10.1186/1758-2946-5-7  0.499
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  0.542
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  0.515
2012 Stein S. Mass spectral reference libraries: an ever-expanding resource for chemical identification. Analytical Chemistry. 84: 7274-7282. PMID 22803687 DOI: 10.1021/Ac301205Z  0.373
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  0.339
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  0.325
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). Journal of Proteome Research. 11: 1412-9. PMID 22053864 DOI: 10.1021/Pr201071T  0.326
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). Molecular & Cellular Proteomics : McP. 10: O111.015446. PMID 22052993 DOI: 10.1074/Mcp.O111.015446  0.326
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  0.367
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  0.42
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  0.389
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 : Rcm. 24: 2529-32. PMID 20740526 DOI: 10.1002/Rcm.4661  0.345
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  0.406
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  0.302
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  0.301
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  0.436
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  0.427
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  0.475
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  0.314
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  0.302
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  0.356
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  0.333
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  0.336
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  0.445
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  0.32
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  0.341
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: 823-35. PMID 16603375 DOI: 10.1016/J.Jasms.2006.02.021  0.438
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  0.308
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  0.367
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  0.309
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  0.47
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  0.471
1995 Stein SE. Chemical substructure identification by mass spectral library searching. Journal of the American Society For Mass Spectrometry. 6: 644-55. PMID 24214391 DOI: 10.1016/1044-0305(95)00291-K  0.347
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  0.338
1994 Stein SE. Estimating probabilities of correct identification from results of mass spectral library searches. Journal of the American Society For Mass Spectrometry. 5: 316-23. PMID 24222569 DOI: 10.1016/1044-0305(94)85022-4  0.388
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: 859-66. PMID 24222034 DOI: 10.1016/1044-0305(94)87009-8  0.34
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  0.353
1991 Stein SE, Ausloos P, Lias SG. Comparative evaluations of mass spectral databases. Journal of the American Society For Mass Spectrometry. 2: 441-3. PMID 24242697 DOI: 10.1016/1044-0305(91)85012-U  0.449
1989 Lias SG, Stein SE. Mass spectral databases [2] Chemical and Engineering News. 67: 2.  0.323
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  0.308
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  0.301
1977 Stein SE, Golden DM, Benson SW. Predictive scheme for thermochemical properties of polycyclic aromatic hydrocarbons Journal of Physical Chemistry. 81: 314-317. DOI: 10.1021/J100519A007  0.357
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  0.528
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  0.385
1975 Stein SE, Rabinovitch BS. Ring opening and isomerization of a series of chemically activated cycloalkyl radicals Journal of Physical Chemistry. 79: 191-198.  0.48
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. DOI: 10.1063/1.1681167  0.537
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. DOI: 10.1063/1.1679522  0.534
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