Those standards are mixtures of compounds. The Nitrosamine standard from Agilent NSM-800-1 has seven peaks. ASTM D8311-20 Standard Test Method for Impurities in Monoethylene Glycol by Gas Chromatography with Normalization is at least four peaks.
The NIST MS Search app that comes along with the NIST libraries can find individual spectra in the NIST library a number of ways - Molecular Weight (Nominal Mass), Exact Mass, Formula, Any Peaks, Sequential Method, CAS Number, ID Number, and Name.
Use the help in the app to learn the best way to find your compound's library spectrum.
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