Mass spectrum data acquisition and analysis method

A mass spectrum data acquisition and analysis method, comprising the steps of:

• providing at least one ion source for generating ions, the generated ions containing ions of a substance to be analyzed;
• dividing a full mass-to-charge ratio range of the ions of the substance to be analyzed into sub mass-to-charge ratio ranges, feeding ions within each of the sub mass-to-charge ratio ranges in sequence into a collision cell to fragment at least part of the ions, and respectively recording mass spectra of the ions passing through the collision cell as product ion spectra;
• searching for ion peaks within a mass-to-charge ratio window set in each of the product ion spectra, a range of the mass-to-charge ratio window being the same as a corresponding one of the sub mass-to-charge ratio ranges;
• and
• determining ions corresponding to the ion peaks as precursor ions corresponding to one of the product ion spectra, wherein the determining step comprises:
• performing charge deconvolution on the ion peaks to obtain a mass of the ions corresponding to the ion peaks;
• calculating a difference in mass between the ions corresponding to the ion peaks, and determining, based on the difference in mass, whether ions having a mass less than a first threshold are generated from ions having a mass greater than a second threshold due to a neutral loss;
• and
• removing the ions generated by the neutral loss, and using the remaining ions as the precursor ions corresponding to the product ion spectra.