Spectral similarity and compound identification for metabolomics. Use for comparing mass spectra, computing similarity scores (cosine, modified cosine), and identifying unknown compounds from spectral libraries. Best for metabolite identification, spectral matching, library searching. For full LC-MS/MS proteomics pipelines use pyopenms.

用于代谢组学的光谱相似性分析与化合物鉴定。适用于比较质谱、计算相似性得分（余弦相似度、修正余弦相似度）以及从光谱库中识别未知化合物。最适合代谢物鉴定、光谱匹配和库搜索。如需完整的LC-MS/MS蛋白组学分析流程，请使用pyopenms。