A cloud server platform end is used to construct a mass spectrum species classification model, extract a mass spectrum data feature, and construct a training model of the convolutional neural network; a user platform end is used to upload the mass spectrum, experiment condition and device data, directly screen and identify the type of the mass spectrum based on the mass spectrum species classification model or the mass spectrum information base, automatically compare and identify the species and name of the pesticides based on the neural network model trained by the cloud server platform end, and feedback the comparison result to the user. The disclosure solves the restriction on the purchase of standards for user, the use of the system is not limited by the location, and the pesticide residues could be detected automatically, quickly and accurately.