科学計算
GC-MS Data Processing
Process GC-MS data for metabolomics and volatile compound analysis including peak detection, deconvolution, and NIST library matching. Use when: user has GC-MS data, needs retention index calculation, wants to identify volatiles, match EI spectra against NIST, or process derivatized metabolites. Triggers: GC-MS, gas chromatography, volatile analysis, NIST library, retention index, Kovats index, EI spectrum, electron ionization, deconvolution, AMDIS, TMS derivatives, volatile profiling, headspace analysis, SPME.