Synthesis, MS/MS characteristics and quantification of six aromatic organosulfates in atmospheric PM2.5

In this work, six aromatic organosulfates (phenyl, 2-/3-/4-methylphenyl, benzyl and phenethyl sulfates) were synthesized, with the purpose to obtain the standards and apply them to quantify the organosulfates in ambient aerosols. The purity of the synthesized organosulfates was determined by high performance liquid chromatography/ultraviolet detector (HPLC/UV). Meanwhile, the organosulfate standards and atmospheric PM(2.5 )samples were measured by high performance liquid chromatography/electrospray ionization/tandem mass spectrometry (HPLC/ESI/MS/MS). The characteristic ion fragments were phenolate anion m/z 93 for phenyl sulfate, creylate anion m/z 107 for methylphenyl sulfate, sulfate radical anion center dot SO4-(m/z 96) for benzyl sulfate, and hydrogen sulfate anion HSO4-(m/z 97) for phenethyl sulfate. The characteristic fragment ions used for quantification can improve the identification of target compounds in chromatograms, obtain lower detection limits, and will minimize analytical errors caused by the introduction of surrogates. The concentrations of phenyl, methylphenyl, benzyl and phenethyl sulfates in winter PM2.5 in Wenjiang District of Chengdu were 0.58 +/- 0.56, 2.37 +/- 3.59, 1.79 +/- 3.51, 0.04 +/- 0.08 ng/m(3), respectively.

Automated summary

In this study, six aromatic organosulfates were synthesized and their purity and concentration were determined using high performance liquid chromatography/ultraviolet detector and high performance liquid chromatography/electrospray ionization/tandem mass spectrometry. The characteristic ion fragments were found to improve the identification and detection of target compounds.