Targeted screening and profiling of massive components of colistimethate sodium by two-dimensional-liquid chromatography-mass spectrometry based on self-constructed compound database

Bibliographic Details
Title: Targeted screening and profiling of massive components of colistimethate sodium by two-dimensional-liquid chromatography-mass spectrometry based on self-constructed compound database
Authors: Xuan Li, Minwen Huang, Yue-Mei Zhao, Wenxin Liu, Nan Hu, Jie Zhou, Zi-Yi Wang, Sheng Tang, Jian-Bin Pan, Hian Kee Lee, Yao-zuo Yuan, Taijun Hang, Hai-Wei Shi, Hongyuan Chen
Source: Journal of Pharmaceutical Analysis, Vol 15, Iss 2, Pp 101072- (2025)
Publisher Information: Elsevier, 2025.
Publication Year: 2025
Collection: LCC:Therapeutics. Pharmacology
Subject Terms: Colistimethate sodium, 2D-LC-MS, Profiling, Targeted screening, Component deduction, Database, Therapeutics. Pharmacology, RM1-950
More Details: In-depth study of the components of polymyxins is the key to controlling the quality of this class of antibiotics. Similarities and variations of components present significant analytical challenges. A two-dimensional (2D) liquid chromatography-mass spectrometry (LC-MS) method was established for screening and comprehensive profiling of compositions of the antibiotic colistimethate sodium (CMS). A high concentration of phosphate buffer mobile phase was used in the first-dimensional LC system to get the components well separated. For efficient and high-accuracy screening of CMS, a targeted method based on a self-constructed high resolution (HR) mass spectrum database of CMS components was established. The database was built based on the commercial MassHunter Personal Compound Database and Library (PCDL) software and its accuracy of the compound matching result was verified with six known components before being applied to genuine sample screening. On this basis, the unknown peaks in the CMS chromatograms were deduced and assigned. The molecular formula, group composition, and origins of a total of 99 compounds, of which the combined area percentage accounted for more than 95% of CMS components, were deduced by this 2D-LC-MS method combined with the MassHunter PCDL. This profiling method was highly efficient and could distinguish hundreds of components within 3 h, providing reliable results for quality control of this kind of complex drugs.
Document Type: article
File Description: electronic resource
Language: English
ISSN: 2095-1779
Relation: http://www.sciencedirect.com/science/article/pii/S2095177924001692; https://doaj.org/toc/2095-1779
DOI: 10.1016/j.jpha.2024.101072
Access URL: https://doaj.org/article/d566b135fc1c4e48966bc838e6e67f7a
Accession Number: edsdoj.566b135fc1c4e48966bc838e6e67f7a
Database: Directory of Open Access Journals
More Details
ISSN:20951779
DOI:10.1016/j.jpha.2024.101072
Published in:Journal of Pharmaceutical Analysis
Language:English