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
Simón-Manso, Yamil, Lowenthal, Mark S, Kilpatrick, Lisa E, Sampson, Maureen L, Telu, Kelly H, Rudnick, Paul A, Mallard, W. Gary, Bearden, Daniel W, Schock, Tracey B, Tchekhovskoi, Dmitrii V, Blonder, Niksa, Yan, Xinjian, Liang, Yuxue, Zheng, Yufang, Wallace, William E, Neta, Pedatsur, Phinney, Karen W, Remaley, Alan T, Stein, Stephen E
Published in Analytical chemistry (Washington) (17.12.2013)
Published in Analytical chemistry (Washington) (17.12.2013)
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Journal Article
Unexpected peaks in tandem mass spectra due to reaction of product ions with residual water in mass spectrometer collision cells
Neta, Pedatsur, Farahani, Mahnaz, Simón-Manso, Yamil, Liang, Yuxue, Yang, Xiaoyu, Stein, Stephen E.
Published in Rapid communications in mass spectrometry (15.12.2014)
Published in Rapid communications in mass spectrometry (15.12.2014)
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Journal Article
Analysis of human plasma metabolites across different liquid chromatography/mass spectrometry platforms: Cross‐platform transferable chemical signatures
Telu, Kelly H., Yan, Xinjian, Wallace, William E., Stein, Stephen E., Simón‐Manso, Yamil
Published in Rapid communications in mass spectrometry (15.01.2017)
Published in Rapid communications in mass spectrometry (15.01.2017)
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Journal Article
Electrospray tandem quadrupole fragmentation of quinolone drugs and related ions. On the reversibility of water loss from protonated molecules
Neta, Pedatsur, Godugu, Bhaskar, Liang, Yuxue, Simón-Manso, Yamil, Yang, Xiaoyu, Stein, Stephen E.
Published in Rapid communications in mass spectrometry (30.11.2010)
Published in Rapid communications in mass spectrometry (30.11.2010)
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Journal Article
Ion-Neutral Collision Cross Section as a Function of the Static Dipole Polarizability and the Ionization Energy of the Ion
Simón-Manso, Yamil
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.04.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.04.2023)
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Journal Article
Metabolomics Test Materials for Quality Control: A Study of a Urine Materials Suite
Bearden, Daniel W, Sheen, David A, Simón-Manso, Yamil, Benner, Jr, Bruce A, Rocha, Werickson F C, Blonder, Niksa, Lippa, Katrice A, Beger, Richard D, Schnackenberg, Laura K, Sun, Jinchun, Mehta, Khyati Y, Cheema, Amrita K, Gu, Haiwei, Marupaka, Ramesh, Nagana Gowda, G A, Raftery, Daniel
Published in Metabolites (07.11.2019)
Published in Metabolites (07.11.2019)
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Journal Article
Hybrid Search: A Method for Identifying Metabolites Absent from Tandem Mass Spectrometry Libraries
Cooper, Brian T, Yan, Xinjian, Simón-Manso, Yamil, Tchekhovskoi, Dmitrii V, Mirokhin, Yuri A, Stein, Stephen E
Published in Analytical chemistry (Washington) (05.11.2019)
Published in Analytical chemistry (Washington) (05.11.2019)
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Journal Article
Unexpected Gas-Phase Nitrogen–Oxygen Smiles Rearrangement: Collision-Induced Dissociation of Deprotonated 2‑(N‑Methylanilino)ethanol and Morpholinylbenzoic Acid Derivatives
Liang, Yuxue, Simón-Manso, Yamil, Neta, Pedatsur, Stein, Stephen E.
Published in Journal of the American Society for Mass Spectrometry (02.11.2022)
Published in Journal of the American Society for Mass Spectrometry (02.11.2022)
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Journal Article
Analysis of human plasma metabolites across different liquid chromatography/mass spectrometry platforms: Cross-platform transferable chemical signatures
Telu, Kelly H., Yan, Xinjian, Wallace, William E., Stein, Stephen E., Simón-Manso, Yamil
Published in Rapid communications in mass spectrometry (15.03.2016)
Published in Rapid communications in mass spectrometry (15.03.2016)
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Journal Article
CID Fragmentation of Deprotonated N‑Acyl Aromatic Sulfonamides. Smiles-Type and Nitrogen–Oxygen Rearrangements
Liang, Yuxue, Simón-Manso, Yamil, Neta, Pedatsur, Yang, Xiaoyu, Stein, Stephen E
Published in Journal of the American Society for Mass Spectrometry (03.03.2021)
Published in Journal of the American Society for Mass Spectrometry (03.03.2021)
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Journal Article
Mass Spectrometry Fingerprints of Small-Molecule Metabolites in Biofluids: Building a Spectral Library of Recurrent Spectra for Urine Analysis
Simón-Manso, Yamil, Marupaka, Ramesh, Yan, Xinjian, Liang, Yuxue, Telu, Kelly H, Mirokhin, Yuri, Stein, Stephen E
Published in Analytical chemistry (Washington) (17.09.2019)
Published in Analytical chemistry (Washington) (17.09.2019)
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Journal Article
Creation and filtering of a recurrent spectral library of CHO cell metabolites and media components
Telu, Kelly H., Marupaka, Ramesh, Andriamaharavo, Nirina R., Simón‐Manso, Yamil, Liang, Yuxue, Mirokhin, Yuri A., Bukhari, Tallat H., Preston, Renae J., Kashi, Lila, Kelman, Zvi, Stein, Stephen E.
Published in Biotechnology and bioengineering (01.04.2021)
Published in Biotechnology and bioengineering (01.04.2021)
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Journal Article
Retention projection enables accurate calculation of liquid chromatographic retention times across labs and methods
Abate-Pella, Daniel, Freund, Dana M., Ma, Yan, Simón-Manso, Yamil, Hollender, Juliane, Broeckling, Corey D., Huhman, David V., Krokhin, Oleg V., Stoll, Dwight R., Hegeman, Adrian D., Kind, Tobias, Fiehn, Oliver, Schymanski, Emma L., Prenni, Jessica E., Sumner, Lloyd W., Boswell, Paul G.
Published in Journal of Chromatography A (18.09.2015)
Published in Journal of Chromatography A (18.09.2015)
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Journal Article
Correction to Mass Spectrometry Fingerprints of Small-Molecule Metabolites in Biofluids: Building a Spectral Library of Recurrent Spectra for Urine Analysis
Simón-Manso, Yamil, Marupaka, Ramesh, Yan, Xinjian, Liang, Yuxue, Telu, Kelly H, Mirokhin, Yuri, Stein, Stephen E
Published in Analytical chemistry (Washington) (07.01.2020)
Published in Analytical chemistry (Washington) (07.01.2020)
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Journal Article