Non-target Analysis of PFAS in Surface Water
Some of the official methods in PFAS regulations are specified for dozens of PFAS types, but it is believed that there are far more PFAS compounds than just those indicated in the regulations. Consequently, even if the PFAS being measured are not detected in the sample, that does not mean the sample contains no untargeted PFAS.
Non-target Analysis Using
High Resolution Mass Spectrometer
The presence of potential and unknown PFAS types can be verified using an LCMS-9030 quadrupole time-of-flight (TOF) mass spectrometer system. The LCMS-9030 combines the quantitative performance of a quadrupole mass spectrometer with the qualitative performance of a TOF mass spectrometer. Potential PFAS compounds can be searched for effectively by using the qualitative capabilities in particular.
Though there are several types of clues available for qualifying relevant compounds, such as accurate masses and characteristic MS/MS fragments, mass defect filtering (MDF) can be especially useful for screening PFAS. The MDF method filters out mass defects by subtracting integer masses from monoisotopic masses to find the characteristic mass defect of fluorine atoms contained in PFAS. Acquiring data in the data dependent acquisition (DDA) mode is also a useful tool for finding characteristic components. By using a combination of such clues, the LCMS-9030 makes it possible to verify the presence of potential PFAS.
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MS Spectrum and Formula Prediction Results
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MS/MS Spectrum and Structural Formulas of Fragment Ions
The Application News article “Screening Analysis of Organofluorine Compounds (PFAS) Contained in Surface Water Using an LCMS™-9030 Q-TOF Mass Spectrometer” can be downloaded from this link.
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Relevant Instruments
Quadrupole Time-of-Flight Liquid Chromatograph Mass Spectrometer：LCMS-9030
The LCMS-9030 provides superior sensitivity for quantitative and qualitative analysis of samples over a wide concentration ranege, including ultra-trace compounds. Patented technologies ensure high resolution and excellent mass measurement accuracy (MMA), supporting structure elucidation and identification of unknown compounds. High throughput is achieved with Shimadzu's unique acceleration technologies designed for high-speed data acquisition.
Quadrupole Time-of-Flight Liquid Chromatograph Mass Spectrometer：LCMS-9050
The LCMS-9050 is a quadrupole time-of-flight (Q-TOF) mass spectrometer that inherits technology from Shimadzu's LCMS series and achieves the highest class of mass accuracy. Shimadzu's proprietary high-precision temperature control system suppresses precise mass changes due to external factors, allowing precise mass measurements to be made without the need for mass calibration.