Understanding of protomers/deprotomers by combining mass spectrometry and computation

D Fu, SG Habtegabir, H Wang, S Feng… - Analytical and Bioanalytical …, 2023 - Springer
Multifunctional compounds may form different prototropic isomers under different conditions,
which are known as protomers/deprotomers. In biological systems, these …

Gas-Phase Internal Proton-Transfer of Protonated para-Aminobenzoic Acid Catalyzed by One Methanol Molecule

B Ucur, OJ Shiels, SJ Blanksby… - Journal of the American …, 2023 - ACS Publications
Electrospray ionization (ESI) is used to deliver analytes for mass analysis across a huge
range of mass spectrometry applications. Despite its ubiquitous application and many …

Impact of Ambient Vapors on Spectra of 4-Nitroaniline Recorded under Atmospheric Solids Analysis Probe (ASAP) Mass Spectrometric Conditions

I Samarasinghe, AB Attygalle - Journal of the American Society for …, 2023 - ACS Publications
Thermally desorbed 4-nitroaniline (4-NA), upon atmospheric pressure chemical ionization
(APCI), generates gaseous ions for its protonated species. The APCI mass spectrum …

Solvent-Mediated Proton-Transfer Catalysis of the Gas-Phase Isomerization of Ciprofloxacin Protomers

B Ucur, AT Maccarone, SR Ellis… - Journal of the …, 2022 - ACS Publications
Understanding how neutral molecules become protonated during positive-ion electrospray
ionization (ESI) mass spectrometry is critically important to ensure analytes can be efficiently …

LC-MS analysis of p-aminosalicylic acid under electrospray ionization conditions manifests a profound solvent effect

J Chandran, Z Zheng, VI Thomas, C Rajalakshmi… - Analyst, 2020 - pubs.rsc.org
Selected-ion recording (SIR) or multiple-reaction monitoring (MRM) protocols are widely
employed for the quantification of targeted analytes by liquid chromatography-mass …

Dependence of Collision-Induced Mass Spectra of Protonated Michler's Ketone on the Nature of LC-MS Mobile Phase

M Kumar, I Samarasinghe… - Journal of the American …, 2023 - ACS Publications
Michler's ketone (MK) is a dimethylamino ketone that undergoes facile protonation under
electrospray-ionization conditions to produce an ion of m/z 269. Initial LC-MS results …

[PDF][PDF] Methods to Identify Protonation Isomers and Control their Populations in Mass Spectrometry

B Ucur - 2023 - ro.uow.edu.au
Molecules with multiple protonation sites pose a challenge to the assignment of analyte ions
in mass spectrometry due to the formation of protonation isomers (protomers). This thesis …