Yuxue Liang

Publications

Molecular Oxygen (O2) Artifacts in Tandem Mass Spectra

November 20, 2024

Author(s)

Yuxue Liang, Pedatsur Neta, Xiaoyu (Sara) Yang, Hugo Garraffo, Tallat Bukhari, Yi Liu, Stephen Stein

The NIST 2023 tandem mass spectral library contains 1,832,086 spectra of positive ions and 541,978 of negative ions from 51,501 compounds. Peak annotation plays

On the challenge of unambiguous identification of fentanyl analogs: exploring measurement diversity using standard reference mass spectral libraries

July 11, 2023

Author(s)

Arun Moorthy, Edward Erisman, Anthony J. Kearsley, Yuxue Liang, Edward Sisco, William E. Wallace

Fentanyl analogs are a class of designer drugs that are particularly challenging to unambiguously identify due to the mass spectral and retention time

Unexpected Gas-Phase Nitrogen-Oxygen Smiles Rearrangement: CID of Deprotonated 2-(N-Methylanilino)ethanol and Morpholinylbenzoic Acid Derivatives

October 21, 2022

Author(s)

Yuxue Liang, Yamil Simon, Pedatsur Neta, Stephen E. Stein

A nitrogen-oxygen Smiles rearrangement was reported to occur after collisional activation of the PhN(R)CH2CH2O- (R = alkyl) anion, which undergoes a five

MS_Piano: A Software Tool for Annotating Peaks in CID Tandem Mass Spectra of Peptides and N-Glycopeptides

July 15, 2021

Author(s)

Xiaoyu (Sara) Yang, Pedatsur Neta, Yuri Mirokhin, Dmitrii V. Tchekhovskoi, Concepcion Remoroza, Meghan Burke Harris, Yuxue Liang, Sanford Markey, Stephen E. Stein

Annotating product ion peaks in tandem mass spectra is essential for evaluating spectral quality and validating peptide identification. This task is more

Comprehensive Analysis of Tryptic Peptides Arising from Disulfide Linkages in NISTmAb and Their Use for Developing a Mass Spectral Library

June 22, 2021

Author(s)

Qian Dong, Xinjian Yan, Yuxue Liang, Sanford Markey, Sergey L. Sheetlin, Concepcion Remoroza, William E. Wallace, Stephen Stein

This work presents methods for identifying and then creating a mass spectral library for disulfide-linked peptides originating from the NISTmAb. Analysis

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Yuxue Liang (Fed)

Publications