This abstract describes the application of the Agilent 6510 Quadrupole Time-of-Flight Mass Spectrometer (QTOF) for the analysis of pharmaceutical compounds in water.
The document details the analysis of surface water samples for pharmaceuticals and personal care products (PPCPs) using an Agilent 6510 Quadrupole Time-of-Flight Mass Spectrometer. The method utilizes a Rapid Resolution High Throughput Extend C18 column with a simple gradient elution to separate compounds.
Data processing is performed using the Agilent Molecular Feature Extractor (MFE) and Mass Profiler algorithms within the MassHunter Qualitative Analysis software. These tools help resolve co-eluting interferences, recognize isotopic clusters, and statistically compare features between samples to identify unique or common compounds.
| Column dimensions | 2.1 mm x 50 mm, 1.8 µm |
|---|---|
| Column temperature | 40 °C |
| Flow rate | 0.3 mL/min |
| Injection volume | 1 µL |
| Scan speed (MS) | 20 spectra/sec |
| Collision energy | 30V |
The Agilent Molecular Feature Extractor (MFE) and Mass Profiler algorithms are part of the MassHunter Qualitative Analysis software.
Samples are believed to contain compounds at the 10 to 100 ppb level, corresponding to the 10 to 100 ppt range in the original water sample.
Using specific filtering settings, some 5,431 features were derived for this sample in the first injection.