The invention discloses a construction and identification method for a neutral loss triggering prediction
database of
phytosterol ester in
vegetable oil, and the method comprises the following steps: S1, constructing a
simulation structure of the
phytosterol ester according to a composition mechanism of a molecular structure of the
phytosterol ester; s2, acquiring a phytosterol ester
mass spectrum splitting
signal of the
training set through
mass spectrum detection scanning, and decoding a phytosterol ester
mass spectrum splitting rule; s3, constructing a phytosterol ester
mass spectrum simulation neutral loss trigger prediction
database; and S4, when the neutral loss mass of the
acyl chain in the detection sample is identified, triggering neutral loss scanning, and identifying the non-targeted phytosterol ester in the
vegetable oil. According to the method, the phytosterol ester component in the oil and
edible oil can be rapidly analyzed, analysis workers do not need to have professional
mass spectrum unfolding ability, and rapid non-targeted recognition analysis can be carried out on the sample through
mass spectrum library comparison; the method has the characteristics of no dependence on standard compounds, short analysis period, high result accuracy and good result reproducibility.