Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data

•Seven strategies were reviewed to improve identification accuracy.•Construction of special database of MS and RI might be advisable.•Feature mining of MS and RI data in database benefits structure elucidation.•Mass spectral transfer improves the accuracy of identifying stereoisomers.

In this review, we summarize seven strategies for structure elucidation of small molecules based on several aspects: discovery of spectral characteristics; construction of a special database; and elimination of retention-index variation and mass spectral differences.We also discuss trends and future perspectives of the structure elucidation of small molecules using data from gas chromatography coupled to mass spectrometry.