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Table 6 Peak identification results by manual, ChromaTOF and the AIoutput software

From: GC/MS based metabolomics: development of a data mining system for metabolite identification by using soft independent modeling of class analogy (SIMCA)

  Analysis time False negatives False positives
Manual 39 ± 15 h 12 ± 6 5 ± 2
ChromaTOF 20 sec 70 5
AIoutput 2 min 0 10
  1. Manual analysis was performed by six skilled people in our laboratory. ChromaTOF software identified the compounds based on the NIST library. The AIoutput software identified compounds based on our reference library.