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Van Den Dool and Kratz RI, polar column, temperature ramp

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 DB-WaxDB-WaxDB-WaxDB-WaxZB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.320.32
Phase thickness (μm) 0.50.50.50.50.25
Tstart (C) 40.40.40.40.40.
Tend (C) 240.250.250.240.250.
Heat rate (K/min) 7.4.4.7.5.
Initial hold (min)  5.5. 2.
Final hold (min) 5.15.15.5.5.
I 1295.1289.1292.1301.1282.
ReferenceMahattanatawee K., Perez-Cacho P.R., et al., 2007Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007Ruiz Perez-Cacho, Mahattanatawee, et al., 2007Wu, Zorn, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10DB-Wax EtrDB-WaxHP-WaxDB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeN2He
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (μm) 0.50.250.250.250.5
Tstart (C) 70.40.50.60.40.
Tend (C) 220.250.230.220.265.
Heat rate (K/min) 4.5.10.5.7.
Initial hold (min) 7.3.5.10. 
Final hold (min) 20.15.25. 5.
I 1319.1291.1286.1277.1306.
ReferenceArena, Guarrera, et al., 2006Aubert C. and Pitrat M., 2006Fernandez-Segovia, Escriche, et al., 2006Flamini, Tebano, et al., 2006Gurbuz O., Rouseff J.M., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase ZB-WaxDB-WaxCP-Wax 52CBLM-120DB-Wax
Column length (m) 30.30.50.50.30.
Carrier gas HeHe  He
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (μm) 0.150.5 0.50.5
Tstart (C) 35.40.60.50.50.
Tend (C) 220.240.220.240.260.
Heat rate (K/min) 5.5.4.3.4.
Initial hold (min) 5. 5.  
Final hold (min) 10.10.30.30.5.
I 1282.1293.1290.1306.1291.
ReferenceLedauphin, Basset, et al., 2006Lopez-Galilea I., Fournier N., et al., 2006Mahadevan and Farmer, 2006Pinto, Guedes, et al., 2006Selli, Rannou, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBDB-WaxDB-WaxStabilwaxSupelcowax-10
Column length (m) 60.30.30.60.60.
Carrier gas  He HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 35.40.40.40.40.
Tend (C) 203.250.200.240.280.
Heat rate (K/min) 3.3.10.3.4.
Initial hold (min) 4. 3.5.2.
Final hold (min)  20.20.10. 
I 1282.1267.1275.1277.1297.
ReferenceAlasalvar, Taylor, et al., 2005Berlinet, Ducruet, et al., 2005Carunchia Whetstine, Croissant, et al., 2005Cros, Lignot, et al., 2005Elmore, Nisyrios, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20DB-WaxDB-WaxSupelcowax-10Supelcowax-10
Column length (m) 50.30.60.30.60.
Carrier gas HeHeN2HeHe
Substrate      
Column diameter (mm) 0.220.250.250.250.2
Phase thickness (μm) 0.250.250.250.250.2
Tstart (C) 60.40.70.60.60.
Tend (C) 220.250.230.240.200.
Heat rate (K/min) 2.3.2.3.2.
Initial hold (min)   2.5. 
Final hold (min) 20.20.20.10.10.
I 1294.1277.1303.1299.1256.
ReferenceFerrari, Tomi, et al., 2005Gancel, Ollitrault, et al., 2005Njoroge, Koaze, et al., 2005Riu-Aumatell, Lopez-Tamames, et al., 2005Smadja, Rondeau, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MMegawaxDB-WaxZB-WaxDB-Wax
Column length (m) 60.30.30.30.30.
Carrier gas HeHe HeHelium
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (μm) 0.250.250.250.250.50
Tstart (C) 45.40.40.40.40.
Tend (C) 250.220.200.250.240.
Heat rate (K/min) 2.2.10.5.7.
Initial hold (min) 0.176.3.2. 
Final hold (min)  10.20.5.5.
I 1278.1270.1273.1277.1306.
ReferenceVerzera, Campisi, et al., 2005Verzera, Trozzi, et al., 2005Whetstine, Cadwallader, et al., 2005Wu, Zorn, et al., 2005Bell, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-WaxHP-WaxDB-WaxZB-WaxDB-Wax
Column length (m) 30.30.0.30.30.
Carrier gas HeN2 HeHe
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (μm) 0.250.250.50.150.25
Tstart (C) 45.60.40.35.45.
Tend (C) 240.220.240.220.240.
Heat rate (K/min) 3.5.7.1.86.
Initial hold (min) 6.10. 10.10.
Final hold (min) 10. 5.10.30.
I 1274.1278.1292.1282.1299.
ReferenceDugo, Mondello, et al., 2004Flamini, Luigi Cioni, et al., 2004Gocmen, Gurbuz, et al., 2004Ledauphin, Saint-Clair, et al., 2004Nielsen, Larsen, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (μm) 0.250.250.250.50.25
Tstart (C) 45.45.45.40.40.
Tend (C) 240.240.240.240.240.
Heat rate (K/min) 6.6.3.5.6.
Initial hold (min) 10.10.10.5.10.
Final hold (min) 30.30.30. 25.
I 1299.1299.1279.1293.1273.
ReferenceNielsen, Larsen, et al., 2004, 2Nielsen, Larsen, et al., 2004, 3Nielsen and Poll, 2004Rega, Fournier, et al., 2004Varming, Andersen, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxHP-WaxHP-WaxInnowax
Column length (m) 30.30.30.30.15.
Carrier gas HeHeN2N2He
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.40.60.60.35.
Tend (C) 240.250.220.220.225.
Heat rate (K/min) 6.3.5.5.4.
Initial hold (min) 10. 10.10.5.
Final hold (min) 25.20.  20.
I 1278.1264.1280.1280.1289.
ReferenceVarming, Petersen, et al., 2004Brat, Rega, et al., 2003Campeol, Flamini, et al., 2003Campeol, Flamini, et al., 2003Chisholm, Jell, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SupelcowaxStabilwaxDB-WaxDB-WaxCP-Wax 52CB
Column length (m) 25.60.60.30.50.
Carrier gas  HeH2 He
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (μm) 0.250.250.250.50.2
Tstart (C) 35.40.40.40.32.
Tend (C) 225.240.245.240.220.
Heat rate (K/min) 4.3.1.57.1.
Initial hold (min) 5.5.  1.
Final hold (min) 10.10.20.5. 
I 1302.1277.1277.1307.1274.
ReferenceChisholm, Wilson, et al., 2003Cros, Vandanjon, et al., 2003Gancel, Ollitrault, et al., 2003Högnadóttir and Rouseff, 2003Kjeldsen, Christensen, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxMegawaxZB-WaxSupelcowax-10
Column length (m) 30.30.30.60.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.320.25
Phase thickness (μm) 0.250.50.250.250.25
Tstart (C) 40.35.40.40.35.
Tend (C) 240.240.220.220.195.
Heat rate (K/min) 6.5.2.3.2.
Initial hold (min) 10.5.6. 5.
Final hold (min) 30.5.10. 90.
I 1299.1293.1270.1289.1293.
ReferenceNielsen, Larsen, et al., 2003Rega, Fournier, et al., 2003Verzera, Trozzi, et al., 2003Brunton, Cronin, et al., 2002Chung, Yung, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20RTX-WaxAT-WaxDB-WaxSupelcowax-10
Column length (m) 50.30.60.30.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.220.250.320.530.25
Phase thickness (μm) 0.250.250.251.0.25
Tstart (C) 60.45.65.40.35.
Tend (C) 220.250.250.200.195.
Heat rate (K/min) 2.3.2.10.2.
Initial hold (min)  6.10.5.5.
Final hold (min) 20.10.60.30.90.
I 1285.1272.1275.1289.1293.
ReferenceLota, de Rocca Serra, et al., 2002Mondello, Zappia, et al., 2002Pino, Marbot, et al., 2002Wu and Cadwallader, 2002Chung, Yung, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase EC-WAXDB-WaxCP-Wax 52CBDB-WaxDB-Wax
Column length (m) 30.60.50.60.60.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (μm) 0.50.250.20.250.25
Tstart (C) 40.40.32.40.40.
Tend (C) 250.200.220.200.200.
Heat rate (K/min) 5.2.1.2.2.
Initial hold (min) 2.5.1.  
Final hold (min) 10.30.   
I 1303.1285.1274.1263.1263.
Referencele Guen, Prost, et al., 2001Kim, 2001Kjeldsen, Christensen, et al., 2001Lee, Suriyaphan, et al., 2001Lee, Suriyaphan, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCP-Wax 52CBBP-20AT-WaxAT-Wax
Column length (m) 30.50.50.60.60.
Carrier gas HeH2HeHeHe
Substrate      
Column diameter (mm) 0.320.320.220.320.32
Phase thickness (μm) 0.50 0.250.250.25
Tstart (C) 40.50.60.65.65.
Tend (C) 240.200.220.250.250.
Heat rate (K/min) 7.2.2.2.2.
Initial hold (min)    10.10.
Final hold (min) 5.  60.60.
I 1329.1280.1285.1279.1276.
ReferenceLin and Rouseff, 2001Liu, Yang, et al., 2001Lota, Serra, et al., 2001Pino and Marbot, 2001Pino, Marbot, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBDB-WaxDB-WaxCP-Wax 52CBDB-Wax
Column length (m) 60.60.60.50.60.
Carrier gas HeHeHe N2
Substrate      
Column diameter (mm) 0.250.50.320.320.25
Phase thickness (μm) 0.250.320.5 0.25
Tstart (C) 45.40.30.60.70.
Tend (C) 250.290.160.220.230.
Heat rate (K/min) 2.4.3.4.2.
Initial hold (min) 0.172. 5.2.
Final hold (min)  5.5.30.20.
I 1278.1296.1315.1280.1296.
ReferenceVerzera, Campisi, et al., 2001Bartley and Jacobs, 2000Beauchene, Grua-Priol, et al., 2000Chevance, Farmer, et al., 2000Choi and Sawamura, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCP-Wax 52CBSupelcowax-10DB-WaxDB-Wax
Column length (m) 60.50.30.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (μm) 0.50.20.250.50.5
Tstart (C) 40.30.75.40.40.
Tend (C) 250.220.200.250.250.
Heat rate (K/min) 3.2.2.54.4.
Initial hold (min) 5.1.3 2.2.
Final hold (min) 10.  10.10.
I 1303.1270.1301.1301.1303.
Referencele Guen, Prost, et al., 2000Jensen, Christensen, et al., 2000Lazari, Skaltsa, et al., 2000Le Guen, Prost, et al., 2000Le Guen, Prost, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20DB-WaxHP-WaxMegawaxCP-Wax 52CB
Column length (m) 50.15.15.30.50.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.220.530.530.250.32
Phase thickness (μm) 0.251.1.0.25 
Tstart (C) 60.40.40.40.60.
Tend (C) 230.220.220.220.220.
Heat rate (K/min) 2.5.5.2.4.
Initial hold (min)  3.3.6.5.
Final hold (min) 35.30.30.10.30.
I 1285.1315.1307.1270.1280.
ReferenceLota, de Rocca Serra, et al., 2000Peng, 2000Peng, 2000Verzera, Trozzi, et al., 2000Chevance and Farmer, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBCP-Wax 52CBBP-20FFAPFFAP
Column length (m) 50.50.50.60.30.
Carrier gas   He He
Substrate      
Column diameter (mm) 0.320.320.220.250.25
Phase thickness (μm)   0.250.50.25
Tstart (C) 60.40.60.50.20.
Tend (C) 220.220.230.230.200.
Heat rate (K/min) 4.4.2.5.4.
Initial hold (min) 5.5. 3.1.
Final hold (min) 30.30.35.15.1.
I 1280.1281.1285.1314.1317.
ReferenceChevance and Farmer, 1999, 2Chevance and Farmer, 1999, 2Lota, Serra, et al., 1999Stephan and Steinhart, 1999Ott, Fay, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase PEG-20MDB-WaxDB-WaxCarbowax 20MDB-Wax
Column length (m) 60.60.60.60.60.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (μm) 0.250.250.250.4250.25
Tstart (C) 50.50.50.45.50.
Tend (C) 230.230.230.300.230.
Heat rate (K/min) 2.2.3.3.2.
Initial hold (min)    3. 
Final hold (min) 60.60. 20.60.
I 1291.1291.1291.1281.1287.
ReferenceShimoda, Nakada, et al., 1997Shimoda, Shiratsuchi, et al., 1996Shimoda, Wu, et al., 1996Mondello, Dugo, et al., 1995Shiratsuchi, Shimoda, et al., 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxSupelcowax-10CP-Wax 52CBDB-Wax
Column length (m) 60.60.60.50.30.
Carrier gas HeHeHeH2He
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (μm) 0.25 0.25 0.25
Tstart (C) 50.40.40.50.40.
Tend (C) 230.200.195.200.220.
Heat rate (K/min) 2.3.2.1.55.
Initial hold (min)  5.5.10.3.
Final hold (min) 60. 40.80. 
I 1287.1289.1290.1247.1268.
ReferenceShiratsuchi, Shimoda, et al., 1994, 2Sumitani, Suekane, et al., 1994Chung and Cadwallader, 1993Wu and Liou, 1992Frohlich and Schreier, 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Supelcowax-10Carbowax 20MCP-WAX 57CBSupelcowax-10
Column length (m) 60.60.60.50.60.
Carrier gas   He  
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (μm) 0.250.25  0.25
Tstart (C) 40.40.50.60.40.
Tend (C) 175.175.225.200.175.
Heat rate (K/min) 2.2.1.54.2.
Initial hold (min) 5.5. 5.5.
Final hold (min) 20.20.80. 20.
I 1294.1297.1274.1280.1293.
ReferenceTanchotikul and Hsieh, 1989Tanchotikul and Hsieh, 1989Chen and Ho, 1988Salter L.J., Mottram D.S., et al., 1988Vejaphan, Hsieh, et al., 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase Supelcowax-10DB-WaxCarbowax 20M
Column length (m) 60.60.50.
Carrier gas  HeHe
Substrate    
Column diameter (mm) 0.250.320.32
Phase thickness (μm) 0.25  
Tstart (C) 40.50.50.
Tend (C) 175.225.200.
Heat rate (K/min) 2.1.52.
Initial hold (min) 5. 5.
Final hold (min) 20.50.40.
I 1294.1275.1274.
ReferenceVejaphan, Hsieh, et al., 1988Chen and Ho, 1987Chen, Kuo, et al., 1986
Comment MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes

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

Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Mahattanatawee K.; Perez-Cacho P.R.; Davenport T.; Rouseff R., Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection, J. Agric. Food Chem., 2007, 55, 5, 1939-1944, https://doi.org/10.1021/jf062925p . [all data]

Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N., Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes, J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y . [all data]

Ruiz Perez-Cacho, Mahattanatawee, et al., 2007
Ruiz Perez-Cacho, P.; Mahattanatawee, K.; Smoot, J.M.; Rouseff, R., Identification of Sulfur Volatiles in Canned Orange Juices Lacking Orange Flavor, J. Agric. Food Chem., 2007, 55, 14, 5761-5767, https://doi.org/10.1021/jf0703856 . [all data]

Wu, Zorn, et al., 2007
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Arena, Guarrera, et al., 2006
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Aubert C. and Pitrat M., 2006
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Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A., A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey, Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3 . [all data]

Gurbuz O., Rouseff J.M., et al., 2006
Gurbuz O.; Rouseff J.M.; Rouseff R.L., Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry, J. Agric. Food Chem., 2006, 54, 11, 3990-3996, https://doi.org/10.1021/jf053278p . [all data]

Ledauphin, Basset, et al., 2006
Ledauphin, J.; Basset, B.; Cohen, S.; Payot, T.; Barillier, D., Identification of trace volatile compounds in freshly distilled Calvados and Cognac: Carbonyl and sulphur compounds, J. Food Comp. Anal., 2006, 19, 1, 28-40, https://doi.org/10.1016/j.jfca.2005.03.001 . [all data]

Lopez-Galilea I., Fournier N., et al., 2006
Lopez-Galilea I.; Fournier N.; Cid C.; Guichard E., Changes in headspace volatile concentrations of coffee brews caused by the roasting process and the brewing procedure, J. Agric. Food Chem., 2006, 54, 22, 8560-8566, https://doi.org/10.1021/jf061178t . [all data]

Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [all data]

Pinto, Guedes, et al., 2006
Pinto, A.B.; Guedes, C.M.; Moreira, R.F.A.; de Maria, C.A.B., Volatile constituents from headspace and aqueous solution of genipap (Genipa americana) fruit isolated by the solid-phase extraction method, Flavour Fragr. J., 2006, 21, 3, 488-491, https://doi.org/10.1002/ffj.1623 . [all data]

Selli, Rannou, et al., 2006
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Notes

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