A strategy to improve the identification reliability of the chemical constituents by high-resolution mass spectrometry-based isomer structure prediction combined with a quantitative structure retention relationship analysis: Phthalide compounds in Chuanxi
Keywords: EICs; extracted ion chromatograms; ESI; electrospray ionization; HRMS; high resolution mass spectrometry; HRMS-ISP; HRMS based isomer structure prediction; MLR; multiple linear regression; QSRR; quantitative structure retention relationship; RMS; root mea