NIST lybrary matching result. Phenylpropanoid volatiles. Phenolic volatiles

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1 Supplemental data I. Results of putative identification of 70 volatiles represented in Table 2 of the text. For each compound 5 first matching hits derived from the NIST library are given with corresponding match value and probability. The identity of compounds depicted in bold were confirmend by authentic chemical standards. GC/MS data NIST lybrary matching result compound# R.T., min selective ion, m/z Library hit match value, maximal match probability, % value = 1000 Phenylpropanoid volatiles Phenolic volatiles Salicylaldehyde Salicylaldehyde Propanoic acid, 3-chloro-,4-formy hydroxybenzaldehyde hydroxybenzaldehyde Guaiacol Guaiacol Guaiacol p-guaiacol Guaiacol Methyl salicylate Methyl salicylate Methyl salicylate Methyl salicylate Methyl salicylate Ethyl slicylate Ethyl slicylate Ethyl slicylate ethoxy-benzoic acid Ethyl slicylate Eugenol Eugenol Isoeugenol Eugenol Allyl-6-methoxyphenol Toluene ,3,5-Cycloheptatriene Toluene Toluene Cyclobutene, 2-propenylidene Ethylbenzen Ethylbenzen Ethylbenzen Ethylbenzen o-xylene

2 Styrene Styrene Benzocyclobutane Benzocyclobutane Styrene Phenylpropane Phenylpropane N-Benzyl-2-phenylethylamine Benzylethanolamine Benzylethanolamine Benzaldehyde Benzaldehyde Benzaldehyde Benzaldehyde Phenylglyoxal Phenol Phosphoric acid, (p-hydroxypheny Phenol Phenol Phenol o-methylstyrene Phenyl-3-buten-1-ol ,5-Diphenyl-1-pentane o-methylstyrene β-methylstyrene Benzonitrile Benzonitrile Benzonitrile Tricyclo [2,4] hex-3-ene Benzonitrile Phenyl-3-buten-1-ol Z-β-Methylstyrene ,5-Diphenyl-1-pentane Benzen, cyclopropyl Benzocyclopentane Benzyl alcohol Benzyl alcohol Benzyl alcohol N-Benzyloxycabonyl-L-tyrosine Phenyl-1,2-propanediol Phenylacetaldehyde Phenylacetaldehyde Phenylacetaldehyde Phenylacetaldehyde Phtalan p-cresol p-cresol m-cresol p-cresol p-cresol α-phenylpropionaldehyde α-phenylpropionaldehyde α-methyl styrene oxide Nitro-1-phenylethane Toluene, p-propyl

3 Phenylethanol Phenylethanol Phenylethanol Benzyl hyrazide Benzyl hyrazide Phenylacetonitrile o-tolunitrile p-tolylisonitrile m-tolunitrile Phenylacetonitrile β-phenylpropionaldehyde β-phenylpropionaldehyde n-butylbenzene n-butylbenzene n-butylbenzene Leucine and Isoleucine derived volatiles Butanal, 3-methyl Butanal, 3-methyl Butanal, 3-methyl Butanal, 3-methyl Pentanal Butanal, 2-methyl Butanal, 2-methyl Butanal, 2-methyl Propene, 3-ethoxy Formic acid, 2-propenyl ester Butanol, 3-methyl Butanol, 3-methyl Butanol, 3-methyl (3H)-Furanone, dihydro-3,5-dim Pentanol Butanol, 2-methyl Butanol, 2-methyl-, (S) Butanol, 2-methyl-, (+) Butanol, 2-methyl Butanol, 2-methyl Butenal, 2-methyl-, (E) Butenal, 2-methyl Butenal, 2-methyl Butenal, 2-methyl Butenal, 2-methyl Butanoic acid, 3-methyl Butanoic acid, 3-methyl Pentanoic acid, 3-methyl Pentanoic acid, 3-methyl Hexanoic acid Methylbutanol nitrite Pentane, 1-nitro Butanol, 2-ethyl Pentane, 1-nitro Pentanol, 2-methyl

4 Cyclopentane, nitro Pentene, 5-nitro Cyclopentanemethanol Butene, 2-methyl-4-[(3-methyl Buten-1-ol, 3-methyl-, acetate Amyl nitrite Pentane, 1-nitro Pentane, 1-nitro ,6-Heptadien-4-ol Hexane, 1-nitro Isobutylthiazole Isobutylthiazole Isobutylthiazole Isobutylthiazole Propylthiazole Lipid derived volatiles Z-3-Hexenol Hexen-1-ol Hexen-1-ol, (E) Hexen-1-ol, (Z) Hexen-1-ol, (Z) Penten-3-ol Penten-3-ol Penten-3-ol Penten-3-ol Ethylcyclopropanol Penten-3-one Penten-3-one H-Imidazole, 4,5-dihydro-2-meth (5H)-Furanone (5H)-Furanone Pentanal Pentanal Pentanal Butanal, 3-methyl Butanal, 3-methyl Furan, 2-ethyl Furan, 2-ethyl ,4-Hexadienal, (E,E) Cyclopentene, 1,5-dimethyl Cyclopentene, 4,4-dimethyl Pentenal, (E) Pentenal, (E) Pentenal, (E) Cyclobut-1-enylmethanol Pentenal Pentanol Pentanol Pentanol Pentanol Pentanol

5 Penten-1-ol, (Z) Penten-1-ol, (Z) Penten-1-ol, (E) Cyclopentanol Penten-1-ol, (Z) Hexenal, (Z) Pentenal, 2-methyl Hexenal Pentene, 2,3-dimethyl Hexenal Hexanal Hexanal Hexanal Hexanal Cyclobutanol, 2-ethyl Hexenal Hexenal Hexenal, (E) Hexenal, (E) Hexenal, (E) Hexenal, (E) Hexenal, (E) Hexenal, (E) Hexenal Hexenal Hexanol Hexanol Hexanol Hexanol Formic acid Heptanal Heptanal Heptanal Heptanal Hexanal, 3-methyl ,4-Hexadienal, (E,E) ,4-Hexadienal, (E,E) ,4-Hexadienal, (E,E) Furan, 2-ethyl Furan, 2-ethyl Heptenal, (E) Heptenal, (Z) Heptenal, (E) Pentenal, 2-ethyl Hexene, 3,5-dimethyl Furan, 2-pentyl Furan, 2-pentyl Furan, 2-pentyl ,4-Nonadienal, (E,E) ,4-Nonadienal, (E,E) ,4-Heptadienal, (E,E) Hexyne, 5-methyl Hexyne, 5-methyl Hexyne, 5-methyl Ethylcyclohexanol

6 Hexanol, 2-ethyl Hexanol, 2-ethyl Hexanol, 2-ethyl Hexanol, 2-ethyl Propyl-1-pentanol Open chain carotenoid derivitives volatiles Hepten-2-one, 6-methyl Hepten-2-one, 6-methyl Hepten-2-one, 6-methyl Hepten-6-one, 2-methyl Hepten-2-one, 5-methyl Hepten-2-ol, 6-methyl dl-6-methyl-5-hepten-2-ol Hepten-2-ol, 6-methyl Hepten-2-ol, 6-methyl Hepten-1-ol, 2-methyl Hexen-2-one, 5-methyl-3-methy Ethanone, 1-(1-cyclohexen-1-yl) Ethanone, 1-(2-methyl-1-cyclopen Ethanone, 1-(1-cyclohexen-1-yl) Ethanone, 1-(1-cyclohexen-1-yl) Acetophenone Acetophenone Acetophenone Acetophenone Acetophenone Methyl-3,5-heptadiene-2-one Ethanone, 1-(2-methyl-1-cyclopen Ethanone, 1-(2-methyl-1-cyclopen Methyl-3,5-heptadiene-2-one Ethanone, 1-(2-methyl-1-cyclopen Acetophenone, 4'-methyl Acetophenone, 4'-methyl Acetophenone, 3'-methyl Acetophenone, 3'-methyl Acetophenone, 3'-methyl β-citral β-citral α-citral Citral α-citral α-citral α-citral Citral Citral Citral Geranyl acetone trans-geranylacetone cis-geranylacetone trans-geranylacetone trans-geranylacetone

7 Terpenoids Pseudoionone Pseudoionone ,4-Hexadiene, 3,3,5-trimethyl ,5-Heptadiene, 2,6-dimethyl ,5-Heptadiene, 2,6-dimethyl (-)-Limonene D-Limonene (+)-Limonene D-Limonene Limonene cis-linalool Oxide α-methyl-α-[4-methyl-3-pentenyl]o Furanmethanol, 5-ethenyltetrah cis-linalool Oxide Linalool oxide E-Linaloloxide Z-Linalool Oxide E-Linaloloxide Z-Linaloloxide Linalool oxide Ocimenol Thujanol τ-terpinen Cyclopropane, 1,1-dimethyl-2-(3-m α-fenchene p-cymen-8-ol p-cymen-8-ol p-cymen-8-ol (2,4-Dimethylphenyl)ethanol α,2,5-trimethylbenzyl alcohol α-terpineol α-terpineol α-terpieol α-terpineol α-terpieol Caren-10-al Benzenemethanol, à-propyl Nonen-5-yne, 4-ethyl ,3-Cyclohexadiene-1-carboxalde Nonen-5-yne, 4-ethyl-, (E) Cyclic carotenoid derivatives α-isophoron α-isophoron H-Pyrazole, 4,5-dihydro-5,5-dim α-isophoron α-isophoron

8 β-cyclocitral β-cyclocitral Isopropylidene-5-methyl-hex Cyclohexene-1-carboxaldehyde Cyclohexene-1-carboxaldehyde β-damascenone β-damascenone E-β-Damascenone β-damascenone β-damascenone β-ionone E-β-Ionone β-ionone E-β-Ionone E-β-Ionone