The invention discloses a new multi-label algorithm analysis method combining infrared spectroscopy and chemometrics. Four components of (octogen (HMX), hexogen(RDX), triamino trinitrobenzene (TATB) and trinitrotoluene (TNT)) in plastic bonded explosives (PBX) can be fast and quantitatively recognized at the same time, and measurable samples comprise single-component, double-component and three-component PBX. The method includes the following main steps that PBX samples in different concentrations are prepared, wherein 118 training sets exist, 28 independent testing sets exist, four kinds of explosives in the training sets are recognized through a support vector machine to be subjected to modeling and optimization, an optimal model is applied to the training sets and five true samples, and whether unknown mixed explosives contain HMX, RDX, TATB and TNT or not can be directly predicted. Compared with a traditional experimental method, no pre-separation needs to be performed on PBX, only the sample infrared spectrum needs to be measured, operation is easy, analysis speed is high, and accuracy is high.