title: On-line gas chromatography combustion/pyrolysis isotope ratio mass spectrometry (HRGC-C/P-IRMS) of pineapple (Ananas comosus L. Merr.) volatiles.
abstract: By use of extracts prepared by liquid-liquid separation of the volatiles from self-prepared juices of pineapple fruits (Ananas comosus) (n = 14) as well as commercial pineapple recovery aromas/water phases (n = 3), on-line capillary gas chromatography-isotope ratio mass spectrometry was employed in the combustion (C) and the pyrolysis (P) modes (HRGC-C/P-IRMS) to determine the delta(13)C(VPDB) and delta(2)H(VSMOW) values of selected pineapple flavor constituents. In addition to methyl 2-methylbutanoate 1, ethyl 2-methylbutanoate 2, methyl hexanoate 3, ethyl hexanoate 4, and 2,5-dimethyl-4-methoxy-3[2H]-furanone 5, each originating from the fruit, the delta(13)C(VPDB) and delta(2)H(VSMOW) data of commercial synthetic 1-5 and "natural" (biotechnologically derived) 1-4 were determined. With delta(13)C(VPDB) data of pineapple volatiles 1-4 varying from -12.8 to -24.4 per thousand, the range expected for CAM metabolism was observed. Compound 5 showed higher depletion from -20.9 to -28.6 per thousand. A similar situation was given for the delta(2)H(VSMOW) values of 3-5 from pineapple ranging from -118 to -191 per thousand, whereas 1 and 2 showed higher depleted values from -184 to -263 per thousand. In nearly all cases, analytical differentiation of 1-5 from pineapple and natural as well as synthetic origin was possible. In general, natural and synthetic 1-5 exhibited delta(13)C(VPDB) data ranging from -11.8 to -32.2 per thousand and -22.7 to -35.9 per thousand, respectively. Their delta(2)H(VSMOW) data were in the range from -242 to -323 per thousand and -49 to -163 per thousand, respectively.
authors.affiliation: Lehrstuhl für Lebensmittelchemie, Universität Würzburg, Am Hubland, 97074 Würzburg, Germany.
authors.forename: Christina
authors.initials: C
authors.lastname: Preston
authors.forename: Elke
authors.initials: E
authors.lastname: Richling
authors.forename: Sandra
authors.initials: S
authors.lastname: Elss
authors.forename: Markus
authors.initials: M
authors.lastname: Appel
authors.forename: Frank
authors.initials: F
authors.lastname: Heckel
authors.forename: Ariane
authors.initials: A
authors.lastname: Hartlieb
authors.forename: Peter
authors.initials: P
authors.lastname: Schreier
mesh_terms: D031230:Ananas / Q000737:chemistry*; D002087:Butyrates / Q000032:analysis; D002208:Caproates / Q000032:analysis; D002849:Chromatography, Gas / Q000379:methods*; D005638:Fruit / Q000737:chemistry*; D005663:Furans / Q000032:analysis; D013058:Mass Spectrometry / Q000379:methods*; D009812:Odorants / Q000032:analysis; D010936:Plant Extracts / Q000737:chemistry; D014835:Volatilization
chemical_list: D002087:Butyrates; D002208:Caproates; D005663:Furans; D010936:Plant Extracts; C060775:methyl caproate; C079237:ethyl hexanoate