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.