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A library of 139,963 chemical compounds analyzed by gas chromatography, including 447,285 GC method and retention index citations from literature.

Get new licenses for NIST mass spectral library, EI MS spectra, MS/MS, GC data here. Includes electron ionization (EI) data, AMDIS software. Standard, Agilent, Shimadzu, Multiformat available.

A library of 2.4 million MS/MS spectra of 51K compounds, 186K precursor ions, obtained from ion trap, collision cell, and HCD (orbitrap) instruments. This is a subset of the full NIST 23 MS library, containing only the MS/MS data and search software.