Hi, in addition of those nice comments, I think you can do also derivatization (see link) for your extracts. For detecting the possible active compounds you can do metabolite profiling of your crude extract with GC MS and bio-activity tests; and predict the possible active compounds using PLS-DA, with best wishes, Gunawan
Similar questions have been asked in the past by many people working with phytochemicals. Well to repeat the answer: you have to do the extraction in a series of polar and nonpolar solvents and then run GCMS. Note that the limitations of GCMS is every thing cannot be detected by it (since it depends upon the GC column). You directly inject it in to the MS filament (if there is facility in your instrument) or try MS-MS to get better results.