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Poster Presentations
Day 2, June 23（Mon.）
Room P (Maesato East, Foyer, Ocean Wing)
- 2P-AM-26
Structural Analysis of the Aroma Compounds in the Japanese Pickles by Gas Chromatography Olfactometry Time-of-Flight Mass Spectrometry
(JEOL)
oNaomi Watanabe, Azusa Kubota, Yoshio Abe, Haruo Iwabuchi, Masaaki Ubukata
The gas chromatography olfactometry mass spectrometry (GC-O-MS) is utilized in the qualitative analysis of aroma compounds in foods and other products, as well as in the analysis of off-flavor. In the qualitative analysis of aroma compounds in foods using GC-MS, it is common to identify compounds using commercially available mass spectral databases (DB) provided by NIST. On the other hand, it is difficult to identify aroma compounds not registered in the DB using only GC-MS data, which was a challenge. Therefore, the aroma compounds of food were measured by using a gas chromatography olfactometry time-of-flight mass spectrometry (GC-O-TOFMS) using headspace-solid phase microextraction (HS-SPME) method, and integrated analysis by the EI/FI method and structural analysis using machine learning were performed. For the detected DB unregistered compounds, structural formula was estimated by predicted EI mass spectral database using machine learning. For the estimation of structural formula, we narrowed down the candidate structural formula to those with functional groups that are assumed to be included, and also confirmed the validity of the interpretation of fragment patterns in the EI mass spectrum. GC-O-TOFMS and structural analysis by machine learning enabled smooth analysis of food aroma compounds.