Development of quantitative screen for 1550 chemicals with GC-MS.

ABSTRACT: With hundreds of thousands of chemicals in the environment, effective monitoring requires high-throughput analytical techniques. This paper presents a quantitative screening method for 1550 chemicals based on statistical modeling of responses with identification and integration performed using deconvolution reporting software. The method was evaluated with representative environmental samples. We tested biological extracts, low-density polyethylene, and silicone passive sampling devices spiked with known concentrations of 196 representative chemicals. A multiple linear regression (R² = 0.80) was developed with molecular weight, logP, polar surface area, and fractional ion abundance to predict chemical responses within a factor of 2.5. Linearity beyond the calibration had R²

SUBMITTER: Bergmann AJ 

PROVIDER: S-EPMC5910463 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature