Evaluation of identification accuracy using AIQS for GC-MS for measuring heavily contaminated samples

Area of Science:

• Environmental Chemistry
• Analytical Chemistry
• Mass Spectrometry

Background:

• Automated identification and quantification systems with gas chromatography-mass spectrometry (AIQS-GC) are vital for environmental chemical screening and disaster surveys.
• Limited data exists on AIQS-GC performance in heavily contaminated samples (HCS).

Purpose of the Study:

• To evaluate the identification performance of AIQS-GC in HCS.
• To compare AIQS-GC results with GC-quadrupole-time-of-flight MS (GC-QTofMS) for accuracy assessment.

Main Methods:

• AIQS-GC was used for initial chemical identification.
• GC-QTofMS was employed to measure accurate mass and identify false positives in HCS.
• Firefighting wastewater was utilized as a heavily contaminated sample.

Main Results:

• AIQS-GC demonstrated high accuracy in normal samples like river water.
• Mass spectrum interference in HCS led to false positives with AIQS-GC.
• GC-QTofMS confirmed false positives and determined the false rate of AIQS-GC in HCS.

Conclusions:

• AIQS-GC may yield incorrect evaluations in heavily contaminated samples.
• Combining AIQS-GC with GC-QTofMS is crucial for accurate analysis of HCS.
• This combined approach ensures reliable and rapid analysis, avoiding false positives.