Abstract
A high-resolution mass spectrometry (HR-MS) method was developed to analyze and identify small molecule compounds in distillery wastewater. According to identification confidence levels, 4 levels of compounds were identified. The five antimicrobial compounds (lactic acid, succinic acid, acetophenone, cinnamic acid, and phenyllactic acid), which shown in high concentrations, were at the highest level of confidence (level 1, confirmed structure). Thus, a rapid and sensitive liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was developed to simultaneously quantify these antimicrobial compounds. The analysis was performed in the selective reaction monitoring (SRM) mode via the electrospray ionization (ESI) source operating in the negative ionization mode. Linear calibration curves were obtained over the concentration range of 50-1000.0 ng/mL for succinic acid, acetophenone, cinnamic acid, phenyllactic acid, and 375-7500 ng/mL for lactic acid. Precision and recovery of the analytes were all satisfactory (relative standard deviation < 10%). The validated method was successfully applied to quantitative analysis of the five antimicrobial compounds in distillery wastewater.•Analyze and identify 4 levels of small molecule compounds in distillery wastewater.•Simple method for quantification of five antimicrobial compounds.•Column temperature affected the lactic and succinic acid chromatographs significantly.