This document introduces the application of LC/Q-TOF in the analysis of dyes/pigments and other environmental compounds of interest, including sample preparation, LC/Q-TOF conditions optimization, mass spectrometry identification, and structure confirmation. This document is suitable for environmental research and analysis personnel.
This document describes an application for analyzing dyes and pigments of environmental interest using Liquid Chromatography coupled with a Quadrupole Time-of-Flight mass spectrometer (LC/Q-TOF). It highlights the instrument's capability to handle 'known unknowns' and 'unknown unknowns' by providing high mass accuracy and structural confirmation through MS/MS.
The study specifically evaluates azo dyes and anthracenediones, including Acid Blue 80, Sudan Green 3, and Sudan III. The authors demonstrate the use of the MassHunter software to find compounds by formula and via the Molecular Feature Extractor (MFE), confirming identities with mass accuracy better than 3 ppm.
| LC Column | ZORBAX XDB 2.1 x 50 mm, C-18, 3.5 um particle size |
|---|---|
| Flow rate | 0.5 mL min |
| MS Scan range | 50-1100 m/z |
| Mass accuracy | < 3 ppm |
All sample analyses were performed on an Agilent 1200 SL Rapid Resolution LC coupled to an Agilent 6520 Q-TOF.
The compounds evaluated were Acid Blue 80, Acid Blue 129, Sudan Green 3, Toluidine Red, and Sudan III.
Identity is confirmed using MS/MS combined with accurate mass to generate useful formulas and confirm ion identity and structure.