Analysis of Cyanide Ion and Cyanogen Chloride in Mineral Water by Ion Chromatograph-Post Column Method

Importance of the Topic

Multi-target screening of toxicological compounds in blood is essential for forensic casework and clinical toxicology. It ensures accurate detection of a broad spectrum of drugs to support legal investigations and medical diagnostics while addressing challenges such as laborious sample preparation and risk of false negatives.

Study Objectives and Overview

The study aimed to develop and evaluate a fully automated workflow combining CLAM 2000 sample preparation with an LCMS 8060 triple quadrupole system. The goal was to screen 61 drugs of abuse and toxic compounds in human whole blood using a ready-to-use Rapid Toxicology Screening method package.

Methodology and Instrumentation

The automated process on the CLAM 2000 module included:

• Wetting of the filter vial
• Dispensing 50 μL of whole blood
• Addition of acetonitrile
• Mixing at 2000 rpm for 60 seconds
• Filtration for 90 seconds
• Transfer of filtrate and co-injection with water to reduce solvent effects

Chromatographic separation was performed on a C18 column (2.1 mm × 100 mm, 2.6 μm) with a 26-minute gradient from 5 % to 95 % methanol in 10 mM ammonium formate and 0.1 % formic acid. The LCMS 8060 system used electrospray ionization in positive MRM mode. Data processing was handled by LabSolutions Insight software, employing a Flag ID feature for automatic quality checks.

Main Results and Discussion

The MRM method applied 2–3 transitions per compound from the kit. Calibration curves for all 61 targets showed linearity over 4–100 ppb with R² ≥ 0.99. Recoveries for 53 analytes and 23 deuterated internal standards were within 70–130 %; a few compounds fell outside this range. Precision (RSD) values were ≤ 14.4 % for analytes and ≤ 17.8 % for internal standards. The Flag ID tool effectively flagged retention time shifts and ion ratio deviations.

Benefits and Practical Applications

This automated workflow reduces manual preparation to 3–5 minutes per sample, enhances throughput, and minimizes human error. It is well suited for forensic toxicology, clinical toxicology, workplace drug testing, and QA/QC in pharmaceutical laboratories.

Future Trends and Opportunities

Emerging trends include integration with high-resolution mass spectrometry, expansion of compound libraries, AI-driven data analysis, miniaturization of automation platforms, and adaptation to multiple biological matrices for broader applicability.

Conclusion

The integration of CLAM 2000 automation with the LCMS 8060 mass spectrometer provides a robust, high-throughput platform for screening 61 toxicological compounds in whole blood, offering reliable quantitative performance and significant time savings.

References

• Robin et al. Analytical and Bioanalytical Chemistry 410:5071–5083 (2018)
• Shimadzu Method Package Rapid Toxicology Screening Version 2 Shimadzu Corporation (2014)