Welcome to GCMS-ID Version 1.0

GCMS-ID (Gas Chromatography Mass Spectrometry compound IDentifier) is a webserver (https://www.gcms-id.ca) designed to help researchers identify compounds, annotate GC-MS spectra and label GC chromatograms from GC-MS experiments. GCMS-ID would be particularly useful for those working in the fields of metabolomics, exposomics, drug testing, natural product characterization and environmental chemistry. GC-MS experiments produce both electron impact mass spectra (EI-MS) and retention index (RI) data. Matching measured EI-MS, RI or EI-MS + RI data to known (or predicted) reference RI, EI-MS or RI+EI-MS data enables compound identification in GC-MS studies GCMS-ID allows users to submit either a compound structure (as a SMILES string or as a drawn structure) or experimental GC-MS data (RI, EI-MS and/or RI+EI-MS).

This website is free and open to all users and there is no login requirement.

  1. Wakoli J, Anjum A, Sajed T, Wang F, Oler E, Gautam V, Wishart D. GCMS-ID: A Webserver for Identifying Compounds from Exposomics or Metabolomics Gas Chromatography Mass Spectrometry Experiments.