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Acetic acid, hexyl ester

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Normal alkane RI, polar column, custom temperature program

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelco CO Wax-10Supelco CO Wax-10Supelco CO Wax-10InnowaxHP-Innowax
Column length (m) 60.60.60.30. 
Carrier gas HeliumHeliumHeliumHelium 
Substrate      
Column diameter (mm) 0.320.320.320.25 
Phase thickness (mum) 0.250.250.250.25 
Program 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min)not specifiednot specifiednot specifiednot specified
I 1275.1272.1281.1271.1276.
ReferencePrompona, Kandylis, et al., 2012Prompona, Kandylis, et al., 2012Prompona, Kandylis, et al., 2012Siristova, Prinosilova, et al., 2012Yasuda and Higuchi, 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-InnowaxSupelko CO WaxSupelko CO WaxSupelko CO Wax
Column length (m) 60.30.60.60.60.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.500.250.250.250.25
Program 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min) 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min)not specified
I 1266.1276.1281.1283.1274.
ReferenceMiyazaki, Plotto, et al., 2011Cajka, Riddellova, et al., 2010Vekiari, Orepoulou, et al., 2010Vekiari, Orepoulou, et al., 2010Vekiari, Orepoulou, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase StabilwaxFFAPDB-WaxDB-WaxDB-Wax
Column length (m) 30.50.20.20.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.200.180.180.32
Phase thickness (mum) 0.250.330.180.180.50
Program 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min)70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min)35 0C (1 min) 2.9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min)35 0C (1 min) 2/9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min)40 0C 7 0C/min -> 110 0C 15 0C/min -> 250 0C (3 min)
I 1279.1292.1259.1259.1278.
ReferenceChinnici, Guerrero, et al., 2009Ortiz, Echeverra, et al., 2009Rowan, Hunt, et al., 2009Rowan, Hunt, et al., 2009, 2Valappil, Fan, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxSupelcowax-10DB-FFAPFFAP
Column length (m) 30.30.30.30.50.
Carrier gas HeliumHeliumHeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.320.2
Phase thickness (mum) 0.250.250.250.250.33
Program not specified40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min)40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)40C(1min) => 7C/min => 180C => 10C/min => 240C (10min)70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)
I 1265.1287.1269.1271.1283.
ReferenceZhao, Xu, et al., 2009Li, Tao, et al., 2008Bosch-Fuste, Riu-Aumatell, et al., 2007Greger and Schieberle, 2007Lara, Echeverría, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxFFAPDB-Wax EtrHP-InnowaxHP-Innowax
Column length (m) 30.50.60.30.30.
Carrier gas HeHeHeHeliumHe
Substrate      
Column diameter (mm) 0.320.20.250.250.25
Phase thickness (mum) 0.250.330.50.250.25
Program 40C(3min) => 4C/min => 160C => 7C/min => 230C (8min)70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)40C(3min) => 10C/min => 90C => 2C/min => 230C (37min)30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min)30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min)
I 1287.1283.1279.1308.1258.
ReferenceLi, Tao, et al., 2007Lopez, Villatoro, et al., 2007Loskos, Hernandez-Orte, et al., 2007Narain, Galvao, et al., 2007Narain, Galvao, et al., 2007, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxDB-WaxDB-WaxSupelcowax-10HP-Innowax
Column length (m) 30.30.30.30.30.
Carrier gas HeHydrogenHeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (mum) 0.250.500.250.250.5
Program 30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min)60 0C (3 min) 2 0C/min -> 220 0C 3 0C/min -> 245 0C (20 min)50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)40C(3min) => 4C/min => 75C => 8C/min => 250C(5min)30C(2min) => 4C/min => 130C => 8C/min => 250C(5min)
I 1268.1276.1267.1281.1278.
ReferenceNarain, Galvao, et al., 2007, 2Selli, 2007Tian, Zhang, et al., 2007Vichi, Guadayol, et al., 2007Weldegergis B.T., Tredoux A.G.J., et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPHP-InnowaxSupelcowax-10Carbowax 20MCP-Wax 52CB
Column length (m) 50.60.30.50. 
Carrier gas HeNitrogen H2Hydrogen
Substrate      
Column diameter (mm) 0.20.250.250.32 
Phase thickness (mum) 0.330.250.250.5 
Program 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)50 0C (4 min) -> 40 0C 4 0C/min -> 220 0Cnot specified25C(7min) => 0.8C/min => 33C => 2.4C/min => 80C => 3.7C/min => 155C (20min)not specified
I 1283.1303.1267.1273.1272.
ReferenceLara, Graell, et al., 2006Quijano and Pino, 2006Riu-Aumatell, Bosch-Fuste´, et al., 2006Dhifi, Angerosa, et al., 2005Jales, Maia, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-Innowax FSCFFAPBP-21Carbowax 20M
Column length (m) 60.60.50.50. 
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.20.22 
Phase thickness (mum) 0.250.250.330.25 
Program 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min)60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)50C => 2.5C/min => 180C(2min) => 1C/min => 200C(10min)not specified
I 1275.1282.1283.1275.1260.
ReferenceMattheis, Fan, et al., 2005Demirci and Baser, 2004Echeverría, Correa, et al., 2004Salinas, Zalacain, et al., 2004Vinogradov, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-FFAPCarbowax 20MDB-WaxCP-Wax 52CBTRWAX
Column length (m) 50. 30.30.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.2 0.320.250.25
Phase thickness (mum) 0.33 0.50.250.25
Program 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)not specified60C(2min) => 2C/min => 220C => 3C/min => 245C(20min)50C(5min) => 7C/min => 180C => 10C/min => 240C(10min)not specified
I 1283.1265.1269.1278.1294.
ReferenceEcheverria, Fuentes, et al., 2003Krings, Banavara, et al., 2003Selli, Cabaroglu, et al., 2003Escalona, Birkmyre, et al., 2002Torrens, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-WaxFFAPCross-linked FFAPSupelcowax-10
Column length (m) 50.60.30.50.60.
Carrier gas N2Helium N2He
Substrate      
Column diameter (mm) 0.20.320.320.20.53
Phase thickness (mum) 0.330.250.250.331.
Program 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min)not specifiednot specified70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min)40C (2min) => 16C/min => 120C => 15C/min => 240C(3min)
I 1283.1264.1268.1283.1266.
ReferenceLopez, Lavilla, et al., 2000Paniandy, Chane-Ming, et al., 2000Lambert, Demazeau, et al., 1999Lavilla, Puy, et al., 1999Forney and Jordan, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBFFAPPEGCP-Wax 52 CBDB-Wax
Column length (m) 50.50.40.30.60.
Carrier gas HeN2HydrogenH2He
Substrate      
Column diameter (mm) 0.250.20.1820.320.25
Phase thickness (mum) 0.20.330.30 0.25
Program 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min)70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min)35 0C (5 min) 5 0C/min -> 100 0C 3 0C/min -> 200 0C (1 min) 20 0C/min -> 240 0C (2 min)60 0C 2 0C/min -> 220 0C 3 0C/min -> 245 0C35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)
I 1269.1283.1282.1281.1270.
ReferenceJakobsen, Hansen, et al., 1998López, Lavilla, et al., 1998Vas, Gal, et al., 1998Carro Marino, López Tamames, et al., 1995Mattheis, Buchanan, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase DB-WaxCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.
Column length (m) 60.50.
Carrier gas HeHydrogen
Substrate   
Column diameter (mm) 0.250.32
Phase thickness (mum) 0.25 
Program 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)not specified
I 1270.1264.
ReferenceMattheis, Buchanan, et al., 1992Waggott and Davies, 1984
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Prompona, Kandylis, et al., 2012
Prompona, K.-D.; Kandylis, P.; Tsakiris, A.; Kanellaki, M.; Kourkoutas, Y., Application of alternative technologies for elimination of artificial colorings in alcoholic beverages produced by Citrus medica and potential impact on human health, Food Nutrition Sci., 2012, 3, 07, 959-969, https://doi.org/10.4236/fns.2012.37127 . [all data]

Siristova, Prinosilova, et al., 2012
Siristova, L.; Prinosilova, S.; Riddellova, K.; Hajslova, J.; Malzoch, K., Changes in quality parameters of vodka filtered through activated charcoal, Czech J. Food Sci., 2012, 30, 5, 474-482. [all data]

Yasuda and Higuchi, 2012
Yasuda, T.; Higuchi, H., Sex pheromones of Stenotus rubrovittatus and Trigonotylus caelestialium, two mirid bugs causing pecky rice and their application to insect monitoring in Japan, Psyshe, 2012, 2012, 1-8, https://doi.org/Article ID 435640 . [all data]

Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Cajka, Riddellova, et al., 2010
Cajka, T.; Riddellova, K.; Klimankova, E.; Carna, M.; Pudil, F.; Hajslova, J., Traceability of olive oil based on volatiles pattern and multivariante analysis, Food Chem., 2010, 121, 1, 282-289, https://doi.org/10.1016/j.foodchem.2009.12.011 . [all data]

Vekiari, Orepoulou, et al., 2010
Vekiari, S.A.; Orepoulou, V.; Kourkoutas, Y.; Kamoun, N.; Msallem, M.; Psimouli, V.; Arapoglou, D., Characterization and seasonal variations of the quality of virgin olive oil of the Thoumbolia and Koroneiki varieties from Southern Greece, Grasas y Aceites, 2010, 61, 3, 221-231, https://doi.org/10.3989/gya.108709 . [all data]

Chinnici, Guerrero, et al., 2009
Chinnici, F.; Guerrero, E.D.; Sonni, F.; Natali, N.; Marin, R.N.; Riponi, C., Gas chromatography - mass spectrometry (GC-MS) characterization of volatile compounds in quality vinegars with protected Europian geographical indication, J. Agric. Food Chem., 2009, 57, 11, 4784-4792, https://doi.org/10.1021/jf804005w . [all data]

Ortiz, Echeverra, et al., 2009
Ortiz, A.; Echeverra, G.; Graell, J.; Lara, I., Calcium dips enhance volatile emission of cold-stored Fuji Kiki-8 apples, J. Agric. Food Chem., 2009, 57, 11, 4931-4938, https://doi.org/10.1021/jf9003576 . [all data]

Rowan, Hunt, et al., 2009
Rowan, D.D.; Hunt, M.B.; Alspach, P.A.; Whitworth, C.J.; Oraguzie, N.C., Heriability and genetic and phenotypic correlations of apple (Malus x domestica) fruit volatiles in a genetically diverse breeding population, J. Agric. Food Chem., 2009, 57, 17, 7944-7952, https://doi.org/10.1021/jf901359r . [all data]

Rowan, Hunt, et al., 2009, 2
Rowan, D.D.; Hunt, M.B.; Dimouro A.; Alspach P.A.; Weskett R.; Volz, R.K.; Gardiner, S.E.; Chagne, D., Profiling fruit volatiles in the progeny of a Royal Gala x Granny Smith apple (Malus x domestica) cross, J. Agr. Food Chem., 2009, 57, 17, 7953-7961, https://doi.org/10.1021/jf901678v . [all data]

Valappil, Fan, et al., 2009
Valappil, Z.A.; Fan, X.; Zhang, H.Q.; Rouseff, R.L., Impact of thermal and nonthermal processing technologies on unfermented apple cider aroma vilatiles, J. Agric. Food Chem., 2009, 57, 3, 924-929, https://doi.org/10.1021/jf803142d . [all data]

Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W., Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry, J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x . [all data]

Li, Tao, et al., 2008
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Bosch-Fuste, Riu-Aumatell, et al., 2007
Bosch-Fuste, J.; Riu-Aumatell, M.; Guadayol, J.M.; Caixach, J.; Lopez-Tamames, E.; Buxaderas, S., Volatile profiles of sparkling wines obtained by three extraction methods and gas chromatography-mass spectrometry (GC-MS) analysis, Food Chem., 2007, 105, 1, 428-435, https://doi.org/10.1016/j.foodchem.2006.12.053 . [all data]

Greger and Schieberle, 2007
Greger, V.; Schieberle, P., Characterization of the Key Aroma Compounds in Apricots (Prunus armeniaca) by Application of the Molecular Sensory Science Concept, J. Agric. Food Chem., 2007, 55, 13, 5221-5228, https://doi.org/10.1021/jf0705015 . [all data]

Lara, Echeverría, et al., 2007
Lara, I.; Echeverría, G.; Graell, J.; López, M.L., Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities, J. Agric. Food Chem., 2007, 55, 15, 6087-6095, https://doi.org/10.1021/jf070464h . [all data]

Li, Tao, et al., 2007
Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L., Impact odorants of Chardonnay dry white wine from Changli County (China), Eur. Food Res. Technol., 2007, https://doi.org/10.1007/s00217-007-0722-9 . [all data]

Lopez, Villatoro, et al., 2007
Lopez, M.L.; Villatoro, C.; Fuentes, T.; Graell, J.; Lara, I.; Echeverria, G., Volatile compounds, quality parameters and consumer acceptance of 'Pink Lady®' apples stored in different conditions, Postharvest Biol. Technol., 2007, 43, 1, 55-66, https://doi.org/10.1016/j.postharvbio.2006.07.009 . [all data]

Loskos, Hernandez-Orte, et al., 2007
Loskos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V., Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions, J. Agric. Food Chem., 2007, 55, 16, 6674-6684, https://doi.org/10.1021/jf0702343 . [all data]

Narain, Galvao, et al., 2007
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Narain, Galvao, et al., 2007, 2
Narain, N.; Galvao, M.S.; Madruga, M.S., Volatile compounds captured through purge and trap technique in caja-umbu (Spondias sp.) fruits during maturation, Food Chem., 2007, 102, 3, 726-731, https://doi.org/10.1016/j.foodchem.2006.06.003 . [all data]

Selli, 2007
Selli, S., Volatile constituents of orange obtained from moro oranges (Citrus Sinensis L. Osbeck), J. Food Quality, 2007, 30, 3, 330-341, https://doi.org/10.1111/j.1745-4557.2007.00124.x . [all data]

Tian, Zhang, et al., 2007
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Vichi, Guadayol, et al., 2007
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Weldegergis B.T., Tredoux A.G.J., et al., 2007
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Lara, Graell, et al., 2006
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Quijano and Pino, 2006
Quijano, C.E.; Pino, J.A., Changes in volatile constituents during the ripening of cocona (Solanum sessiliflorum Dunal) fruit, Revista CENIC Ciencias Quimicas, 2006, 37, 3, 133-136. [all data]

Riu-Aumatell, Bosch-Fuste´, et al., 2006
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Dhifi, Angerosa, et al., 2005
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Jales, Maia, et al., 2005
Jales, K.A.; Maia, G.A.; Garruti, D.S.; Neto, M.A.S.; Janzantti, N.S.; Franco, M.R.B., Evaluation de los compuestos odoriferos del jugo de maracuya amarillo por GC-MS y GC-O (OSME), Alimentis y bebidas, 2005, 3, 12-14. [all data]

Mattheis, Fan, et al., 2005
Mattheis, J.P.; Fan, X.; Argenta, L.C., Interactive Responses of Gala Apple Fruit Volatile Production to Controlled Atmosphere Storage and Chemical Inhibition of Ethylene Action, J. Agric. Food Chem., 2005, 53, 11, 4510-4516, https://doi.org/10.1021/jf050121o . [all data]

Demirci and Baser, 2004
Demirci, F.; Baser, K.H.C., The volatiles of fresh-cut Osyris alba L. flowers, Flavour Fragr. J., 2004, 19, 1, 72-73, https://doi.org/10.1002/ffj.1299 . [all data]

Echeverría, Correa, et al., 2004
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Salinas, Zalacain, et al., 2004
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Vinogradov, 2004
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Echeverria, Fuentes, et al., 2003
Echeverria, G.; Fuentes, M.T.; Graell, J.; Lopez, M.L., Relationships between volatile production, fruit quality and sensory evaluation of Fuji apples stored in different atmospheres by means of multivariate analysis, J. Sci. Food Agric., 2003, 84, 1, 5-20, https://doi.org/10.1002/jsfa.1554 . [all data]

Krings, Banavara, et al., 2003
Krings, U.; Banavara, D.S.; Berger, R.G., Thin layer high vacuum distillation to isolate the flavor of high-fat food, Eur. Food Res. Technol., 2003, 217, 1, 70-73, https://doi.org/10.1007/s00217-003-0700-9 . [all data]

Selli, Cabaroglu, et al., 2003
Selli, s.; Cabaroglu, T.; Canbas, A., Flavour components of orange wine made from a Turkish cv. Kozan, Int. J. Food Sci. Technol., 2003, 38, 5, 587-593, https://doi.org/10.1046/j.1365-2621.2003.00691.x . [all data]

Escalona, Birkmyre, et al., 2002
Escalona, H.; Birkmyre, L.; Piggott, J.R.; Paterson, A., Effect of maturation in small oak casks on the volatility of red wine aroma compounds, Anal. Chim. Acta., 2002, 458, 1, 45-54, https://doi.org/10.1016/S0003-2670(01)01538-0 . [all data]

Torrens, 2002
Torrens, J., El análisis del aroma aplicado al control de calidad del cava [CS2002 Análisis sensorial (vino)], 2002, retrieved from http://www.percepnet.com/documenta/CS0203.pdf. [all data]

Lopez, Lavilla, et al., 2000
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Notes

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