title: (13)C NMR-based metabolomics for the classification of green coffee beans according to variety and origin.
abstract: (13)C NMR-based metabolomics was demonstrated as a useful tool for distinguishing the species and origins of green coffee bean samples of arabica and robusta from six different geographic regions. By the application of information on (13)C signal assignment, significantly different levels of 14 metabolites of green coffee beans were identified in the classifications, including sucrose, caffeine, chlorogenic acids, choline, amino acids, organic acids, and trigonelline, as captured by multivariate analytical models. These studies demonstrate that the species and geographical origin can be quickly discriminated by evaluating the major metabolites of green coffee beans quantitatively using (13)C NMR-based metabolite profiling.
authors.affiliation: Department of Applied Biological Chemistry, Graduate School of Agricultural and Life Sciences, The University of Tokyo , 1-1-1 Yayoi, Bunkyo-ku, Tokyo 113-8657, Japan.
authors.forename: Feifei
authors.initials: F
authors.lastname: Wei
authors.forename: Kazuo
authors.initials: K
authors.lastname: Furihata
authors.forename: Masanori
authors.initials: M
authors.lastname: Koda
authors.forename: Fangyu
authors.initials: F
authors.lastname: Hu
authors.forename: Rieko
authors.initials: R
authors.lastname: Kato
authors.forename: Takuya
authors.initials: T
authors.lastname: Miyakawa
authors.forename: Masaru
authors.initials: M
authors.lastname: Tanokura
mesh_terms: D002110:Caffeine / Q000032:analysis; D002247:Carbon Isotopes; D040503:Coffea / Q000145:classification*; D009682:Magnetic Resonance Spectroscopy; D055432:Metabolomics / Q000379:methods*; D011801:Quinic Acid / Q000031:analogs & derivatives / Q000032:analysis; D012639:Seeds / Q000145:classification*; D013045:Species Specificity
chemical_list: D002247:Carbon Isotopes; C472707:caffeoylquinic acid; D011801:Quinic Acid; D002110:Caffeine