Unusual (+/-)-electrospray ionization induced fragmentation: Structural elucidation of an in-process synthetic intermediate of doravirine (MK-1439) using liquid chromatography/high-resolution tandem mass spectrometry and two-dimensional nuclear magnetic resonance.
Huaming ShengKatrina W LexaLi-Kang ZhangRong-Sheng YangTimothy J WrightBenjamin D SherryRoy HelmyGary E MartinPublished in: Rapid communications in mass spectrometry : RCM (2018)
To the best of our knowledge, this unique ESI-induced fragmentation has not been previously reported in the literature. The underlying mechanism was explored and is supported by DFT calculations, which could greatly help the structural characterization of unknown impurities with similar structural features using ESI-MS in the future. Copyright © 2017 John Wiley & Sons, Ltd.
Keyphrases
- tandem mass spectrometry
- liquid chromatography
- mass spectrometry
- ultra high performance liquid chromatography
- high resolution
- ms ms
- magnetic resonance
- high performance liquid chromatography
- simultaneous determination
- gas chromatography
- high resolution mass spectrometry
- high glucose
- diabetic rats
- density functional theory
- systematic review
- multiple sclerosis
- drug induced
- molecular dynamics
- endothelial cells
- oxidative stress
- high speed
- contrast enhanced