Gomez, M. J. published the artcileRapid automated screening, identification and quantification of organic micro-contaminants and their main transformation products in wastewater and river waters using liquid chromatography-quadrupole-time-of-flight mass spectrometry with an accurate-mass database, Safety of Diatrizoic Acid, the main research area is automated screening organic micropollutant degradation product water wastewater; liquid chromatog quadrupole time of flight mass spectrometry analysis; accurate mass database organic micropollutant screening water.
This work developed and evaluated a method for rapid, automated screening and confirmation of a large number of organic micro-pollutants (nearly 400) and quantification of pos. findings in water and wastewater using liquid chromatog./electro-spray quadrupole time-of-flight mass spectrometry (LC-QTOFMS) based on an accurate mass database. The created database includes data concerning target analyte accurate masses and characteristic in-source fragment ions, isotopic pattern, and retention time data. This customized database was linked to com. available software which extracted all potential compounds of interest from LC-QTOFMS raw data for each sample and matched them to the database to search for targeted compounds in the sample. Detailed fragmentation information was also used as a tool to automatically identify unknown compounds and/or transformation products with similar structures to those of known organic pollutants in the database. The database can be continually enlarged. To confirm identification of compounds with no fragment ions (or fragments with low intensity/relative abundance) from in-source collision-induced dissociation fragmentation or isomers which were not distinguished in full single mass spectra, a targeted MS/MS method was developed. Thereafter, these compounds can be further analyzed using collision energy (CE) in QTOF-MS/MS mode. Linearity and limits of detection were assessed. In most cases, method detection limits (MDL) for effluent wastewater and river water were ≤5 and ≤2 ng/L, resp. Only 15 compounds had MDL from 5 to 50 ng/L in effluent wastewater. Calibration curves were linear over 2 orders of magnitude. The method was used to analyze actual samples and results showed that most pharmaceutically-active compounds in the created database occurred in water at ng/L to μg/L concentrations; in most of the samples 2-15 pesticides of the 300 in the database were also detected. In addition to the compounds in the database, some degradation products were observed, revealing the method as a useful tool to analyze organic micro-pollutants in water.
Journal of Chromatography A published new progress about Cosmetics and Personal care products. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Safety of Diatrizoic Acid.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem