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Acetic acid, hexyl ester

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Normal alkane RI, non-polar column, custom temperature program

Go To: Top, References, Notes

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 Polydimethyl siloxane with 5 % Ph groupsPolydimethyl siloxane with 5 % Ph groupsSiloxane, 5 % PhHP-1CP-Sil 8 CB
Column length (m)     30.
Carrier gas     Hydrogen
Substrate      
Column diameter (mm)     0.25
Phase thickness (mum)     0.25
Program not specifiednot specifiednot specifiednot specified30 0C 3 0C/min -> 150 0C 20 0C/min -> 220 0C
I 1007.1016.997.996.1015.
ReferenceRobinson, Adams, et al., 2012Robinson, Adams, et al., 2012VOC BinBase, 2012Yasuda and Higuchi, 2012de Freitas, Garruti, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5Polydimethyl siloxane, 5 % phenylHP-5 MSBPX-5BPX-5
Column length (m) 60. 30.30.30.
Carrier gas Helium HeliumHeliumHelium
Substrate      
Column diameter (mm) 0.25 0.320.250.25
Phase thickness (mum) 1.00 0.250.250.25
Program 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)not specifiednot specified70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min)35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)
I 1018.997.1009.1015.1022.
ReferenceMiyazaki, Plotto, et al., 2011Skogerson, Wohlgemuth, et al., 2011Pino, Marquez, et al., 2010Ortiz, Echeverra, et al., 2009se Souza, Cardeal, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5DB-5 MSSqualaneCB-1CB-1
Column length (m) 30.30. 30.30.
Carrier gas HeliumHelium HeliumHelium
Substrate      
Column diameter (mm) 0.250.25 0.250.25
Phase thickness (mum) 0.250.25 0.250.25
Program not specifiednot specifiednot specified40 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 220 0C (1 min)not specified
I 1013.1007.988.1003.1006.
Referencese Souza, Cardeal, et al., 2009Su, Wang, et al., 2009Chen, 2008Kannaste, Vongvanich, et al., 2008Kannaste, Vongvanich, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Sil 8CB-MSHP-5HP-5HP-1DB-5
Column length (m) 30.30.30.50.30.
Carrier gas Helium  He 
Substrate      
Column diameter (mm) 0.250.250.250.20.25
Phase thickness (mum) 0.250.250.250.330.25
Program 50 0C(3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 260 0C40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)not specified40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)50C(1min) => 5C/min => 100C => 10C/min => 250C (9min)
I 1009.1013.1015.990.1011.
ReferenceProfitt, Schatz, et al., 2008Zhao, Li, et al., 2008Zhao, Li, et al., 2008Barra, Baldovini, et al., 2007Beaulieu and Lancaster, 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1DB-5LM-5LM-5LM-5
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.25   
Program 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)40C(1min) => 7C/min => 110C => 5C/min => 180C => 10C/min => 240C(10min)50 0C (10 min) 2 oC/min -> 75 0C 3 0C/min -> 150 0C 5 0C/min -> 200 0Cnot specifiednot specified
I 1012.1010.1024.1010.1012.
ReferenceBosch-Fuste, Riu-Aumatell, et al., 2007Greger and Schieberle, 2007Janzanntti, Franco, et al., 2007Janzanntti, Franco, et al., 2007Janzanntti, Franco, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VB-5SE-30CP-SilCP-SilUltra-2
Column length (m) 60. 30.30.25.
Carrier gas He HeliumHeliumH2
Substrate      
Column diameter (mm) 0.25 0.250.250.25
Phase thickness (mum) 1. 0.250.250.33
Program 35C(1min) => 4C/min => 175C => 10C/min => 260Cnot specified50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0Cnot specified
I 997.988.1009.1012.1008.
ReferenceKarlshøj, Nielsen, et al., 2007Liu, Liang, et al., 2007Proffit, 2007Proffit, 2007Ceva-Antunes, Bizzo, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1DB-5CP-Sil5 CB MSPolydimethyl siloxane with 5 % Ph groupsHP-5
Column length (m) 30.60.50.  
Carrier gas      
Substrate      
Column diameter (mm) 0.250.250.32  
Phase thickness (mum) 0.250.251.2  
Program not specified50C => 5C/min => 100C => 15C/min => 250C (19C)36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)not specifiednot specified
I 1012.1011.992.1008.1008.
ReferenceRiu-Aumatell, Bosch-Fuste´, et al., 2006Beaulieu, 2005Iraqi, Vermeulen, et al., 2005Pino, Marbot, et al., 2005Riu-Aumatell, Lopez-Tamames, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5DB-5MSSE-30HP-5HP-5
Column length (m) 30.30. 30.30.
Carrier gas HeHe He 
Substrate      
Column diameter (mm) 0.250.25 0.250.25
Phase thickness (mum) 0.250.25 0.250.25
Program 30C(3min) => 5C/min => 80C => 4C/min => 95C => 5C/min => 115C => 10C/min => 200C40C => 2C/min => 60C => 4C/min => 260Cnot specified40C(1min) => 5C/min => 180C => 10C/min => 220C(2min)40C(6min) => 2.5C/min => 150C => 90C/min => 250C
I 1008.1008.995.1015.1014.
ReferenceCrook, Boylston, et al., 2004Maia, Andrade, et al., 2004Vinogradov, 2004Demyttenaere, Dagher, et al., 2003Jordán, Margaría, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5OV-101HP-5MSHP-5HP-5
Column length (m) 30. 30.30.30.
Carrier gas   He  
Substrate      
Column diameter (mm) 0.25 0.250.250.25
Phase thickness (mum) 0.25 0.250.250.25
Program 40C(6min) => 2.5C/min => 150C => 90C/min => 250Cnot specified40C(1min) => 5C/min => 220C => 10C/min => 240C(2min)not specifiednot specified
I 1008.1012.1015.1008.1010.
ReferenceJordán, Margaría, et al., 2003Krings, Banavara, et al., 2003Demyttenaere, Dagher, et al., 2002Jordán, Goodner, et al., 2002Jordán, Goodner, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101Methyl SiliconeSPB-1DB-5DB-5
Column length (m) 50. 60.30.30.
Carrier gas N2 He  
Substrate      
Column diameter (mm) 0.25 0.530.320.32
Phase thickness (mum)   5.1.1.
Program not specifiednot specified40C(6min) => 5C/min => 80C => 10C/min => 200C0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min)0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min)
I 993.996.992.1003.995.
ReferenceYang, 2001Estrada and Gutierrez, 1999Flanagan, Streete, et al., 1997Storer, Elmore, et al., 1993Storer, Elmore, et al., 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SPB-1DB-1DB-1OV-101
Column length (m) 30.60.30.30.25.
Carrier gas  HeliumH2H2He
Substrate      
Column diameter (mm) 0.320.530.250.250.31
Phase thickness (mum) 1.5.00.250.25 
Program 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min)40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250Cnot specified
I 997.992.995.995.1012.
ReferenceStorer, Elmore, et al., 1993Strete, Ruprah, et al., 1992Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988Morales and Duque, 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase OV-101OV-101SF96+IgepalOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Column length (m) 50.50.152.50.
Carrier gas HeHe Hydrogen
Substrate     
Column diameter (mm) 0.240.240.760.32
Phase thickness (mum)     
Program not specifiednot specified25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180Cnot specified
I 1012.994.1000.990.
ReferenceZenkevich and Malamakhov, 1987Zenkevich and Malamakhov, 1987Flath, Altieri, et al., 1984Waggott and Davies, 1984
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-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.

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [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]

de Freitas, Garruti, et al., 2011
de Freitas, V.M.; Garruti, D. dosS.; Souza Neto, M.A.; Facundo, H.V. daV.; Correia, J.M., Stability of volatile profile and sensory properties of passion fruit during storage in glass bottles, Ciencia e Tecnologia de Alimentos, Campinas, 2011, 31, 2, 349-354, https://doi.org/10.1590/S0101-20612011000200011 . [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]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D., Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages, Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028 . [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]

se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J., Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways, J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061 . [all data]

Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G., Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices, Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]

Chen, 2008
Chen, H.-F., Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression, Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003 . [all data]

Kannaste, Vongvanich, et al., 2008
Kannaste, A.; Vongvanich, N.; Borg-Karlson, A.-K., Infestation by a Nalepella species induces emissions of alpha- and beta-farnesenes, (-)-linalool and aromatic compounds in Norway spruce clones of different susceptibility to the large pine weevil, Anthropod-Plant Interactions, 2008, 2, 1, 31-41, https://doi.org/10.1007/s11829-008-9029-4 . [all data]

Profitt, Schatz, et al., 2008
Profitt, M.; Schatz, B.; Bessiere, J.-M.; Chen, C.; Soler, C.; Hossaert-McKey, M., Signalling receptivity: comparison of the emission of volatile compounds by figs of Ficus hispida before, during and after the phase of receptivity to pollinators, Symbiosis, 2008, 45, 1-10. [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L., Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE), Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027 . [all data]

Beaulieu and Lancaster, 2007
Beaulieu, J.C.; Lancaster, V.A., Correlating Volatile Compounds, Sensory Attributes, and Quality Parameters in Stored Fresh-Cut Cantaloupe, J. Agric. Food Chem., 2007, 55, 23, 9503-9513, https://doi.org/10.1021/jf070282n . [all data]

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]

Janzanntti, Franco, et al., 2007
Janzanntti, N.S.; Franco, M.R.B.; Lancas, F.M., Identificacao de compostos volateis de macas (Malus domestica) cultivar fuji, por chromatoghrafia gasosa-espectrometria de massas, 2007, retrieved from http://www.bibvirt.futuro.nsp.br/content/download/7005/56300/file/cta20u26.pdf. [all data]

Karlshøj, Nielsen, et al., 2007
Karlshøj, K.; Nielsen, P.V.; Larsen, T.O., Prediction of Penicillium expansum Spoilage and Patulin Concentration in Apples Used for Apple Juice Production by Electronic Nose Analysis, J. Agric. Food Chem., 2007, 55, 11, 4289-4298, https://doi.org/10.1021/jf070134x . [all data]

Liu, Liang, et al., 2007
Liu, F.; Liang, Y.; Cao, C.; Zhou, N., QSPR study of GC retention indices for saturated esters on seven stationary phases based on novel topological indices, Talanta, 2007, 72, 4, 1307-1315, https://doi.org/10.1016/j.talanta.2007.01.038 . [all data]

Proffit, 2007
Proffit, M., Mediation chimique et structuration des communautes d'hymenopteres parasites du mutualisme figuier / pollinisateur (These pour obtenir le grade de Docteur de l'Universite Montpellier II) (Dissertation), 2007. [all data]

Ceva-Antunes, Bizzo, et al., 2006
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Silva, A.S.; Carvalho, C.P.S.; Antunes, O.A.C., Analysis of volatile composition of siriguela (Spondias purpurea L.) by solid phase microextraction (SPME), LWT, 2006, 39, 4, 437-443, https://doi.org/10.1016/j.lwt.2005.02.007 . [all data]

Riu-Aumatell, Bosch-Fuste´, et al., 2006
Riu-Aumatell, M.; Bosch-Fuste´, J.; Lopez-Tamames, E.; Buxaderas, S., Development of volatile compounds of cava (Spanish sparkling wine) during long ageing time in contact with lees, Food Chem., 2006, 95, 2, 237-242, https://doi.org/10.1016/j.foodchem.2005.01.029 . [all data]

Beaulieu, 2005
Beaulieu, J.C., Within-Season Volatile and Quality Differences in Stored Fresh-Cut Cantaloupe Cultivars, J. Agric. Food Chem., 2005, 53, 22, 8679-8687, https://doi.org/10.1021/jf050241w . [all data]

Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S., Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis, J. Agric. Food Chem., 2005, 53, 4, 1179-1184, https://doi.org/10.1021/jf040349w . [all data]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2005, 20, 98-100. [all data]

Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S., Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments, J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z . [all data]

Crook, Boylston, et al., 2004
Crook, L.R.; Boylston, T.D.; Glatz, B.A., Effect of gas environment and sorbate addition on flavor characteristics of irradiated apple cider during storage, J. Agric. Food Chem., 2004, 52, 23, 6997-7004, https://doi.org/10.1021/jf049454w . [all data]

Maia, Andrade, et al., 2004
Maia, J.G.S.; Andrade, E.H.A.; Zoghbi, M.G.B., Aroma volatiles from two fruit varieties of jackfruit (Artocarpus heterophyllus Lam.), Food Chem., 2004, 85, 2, 195-197, https://doi.org/10.1016/S0308-8146(03)00292-9 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Demyttenaere, Dagher, et al., 2003
Demyttenaere, J.C.R.; Dagher, C.; Sandra, P.; Kallithraka, S.; Verhé, R.; de Kimpe, N., Flavour analysis of Greek white wine by solid-phase microextraction-capillary gas chromatography-mass spectrometry, J. Chromatogr. A, 2003, 985, 1-2, 233-246, https://doi.org/10.1016/S0021-9673(02)01467-X . [all data]

Jordán, Margaría, et al., 2003
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L., Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruid puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O, J. Agric. Food Chem., 2003, 51, 5, 1421-1426, https://doi.org/10.1021/jf020765l . [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]

Demyttenaere, Dagher, et al., 2002
Demyttenaere, J.C.R.; Dagher, C.; Verhé, R.; Sandra, P., Flavour analysis of Greek white wine using solid phase microextraction - capillary GC/MS in 25th International Symposium on Capillary Chromatography, 2002, 1-16. [all data]

Jordán, Goodner, et al., 2002
Jordán, M.J.; Goodner, K.L.; Shaw, P.E., Characterization of the aromatic profile in aqueous essence and fruit juice of yellow passion fruit (Passiflora edulis Sims F. Flavicarpa degner) by GC-MS and GC/O, J. Agric. Food Chem., 2002, 50, 6, 1523-1528, https://doi.org/10.1021/jf011077p . [all data]

Yang, 2001
Yang, R., Analysis of the volatile components in peel oil of Yuzu by gas chromatography/mass spectrometry, Chin. J. Anal. Chem., 2001, 29, 3, 313-316. [all data]

Estrada and Gutierrez, 1999
Estrada, E.; Gutierrez, Y., Modeling chromatographic parameters by a novel graph theoretical sub-structural approach, J. Chromatogr. A, 1999, 858, 2, 187-199, https://doi.org/10.1016/S0021-9673(99)00808-0 . [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

Storer, Elmore, et al., 1993
Storer, J.R.; Elmore, J.S.; van Emden, H.F., Airborne volatiles from the foliage of three cultivars of autumn flowering chrysanthemums, Phytochemistry, 1993, 34, 6, 1489-1492, https://doi.org/10.1016/S0031-9422(00)90833-1 . [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037 . [all data]

Morales and Duque, 1987
Morales, A.L.; Duque, C., Aroma constituents of the fruit of the moutain papaya (Carica pubescens) from Colombia, J. Agric. Food Chem., 1987, 35, 4, 538-540, https://doi.org/10.1021/jf00076a024 . [all data]

Zenkevich and Malamakhov, 1987
Zenkevich, I.G.; Malamakhov, A.C., Evaluation of Molecular Weights of Organic Compounds based on Retention Parameters at Chromato-Spectral Analysys. Additional Criterion of Molecular Ions' Identification, Vestn. St. Petersb. Univ. Ser. 4: Fiz. Khim, 1987, 2, 101-106. [all data]

Flath, Altieri, et al., 1984
Flath, R.A.; Altieri, M.A.; Mon, T.R., Volatile constituents of Amaranthus retroflexus L., J. Agric. Food Chem., 1984, 32, 1, 92-94, https://doi.org/10.1021/jf00121a024 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

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