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

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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 5 % Phenyl methyl siloxaneEquity-5MSHP-5MSBP-1HP-5
Column length (m) 30.30.30.50.30.
Carrier gas  HeHeHeN2
Substrate      
Column diameter (mm) 0.250.250.250.220.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.50.60.60.50.
Tend (C) 270.250.250.220.220.
Heat rate (K/min) 15.3.2.2.5.
Initial hold (min)   8. 10.
Final hold (min) 15.10.30.20. 
I 1426.1401.1409.1386.1411.
ReferenceZaikin, 2010Belsito E.L., Carbone C., et al., 2007Benkaci-Ali, Baaliouamer, et al., 2007Duquesnoy, Castola, et al., 2007Flamini, Tebano, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-1HP-5MSDB-5HP-5MSHP-5MS
Column length (m) 60.30.30.20.30.
Carrier gas HeHe  He
Substrate      
Column diameter (mm) 0.220.250.250.250.25
Phase thickness (μm) 0.250.251.0.250.25
Tstart (C) 60.60.50.60.60.
Tend (C) 230.280.290.240.280.
Heat rate (K/min) 2.4.10.5.3.
Initial hold (min)  5.1.4. 
Final hold (min) 35. 10.15. 
I 1388.1407.1420.1411.1405.
ReferencePaolini, Muselli, et al., 2007Saroglou, Marin, et al., 2007Bylaite and Meyer, 2006Kallio, Jussila, et al., 2006Kukic J., Petrovic S., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSHP-5CP Sil 5 CBDB-5MSHP-5
Column length (m) 30.30.25.30.30.
Carrier gas HeHeHeHeN2
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.40.250.25
Tstart (C) 60.40.80.40.60.
Tend (C) 280.300.270.200.220.
Heat rate (K/min) 4.4.10.5.5.
Initial hold (min) 5.5. 5.10.
Final hold (min)    45. 
I 1416.1405.1389.1402.1410.
ReferenceSaroglou, Dorizas, et al., 2006Vundac, Pfeifhofer, et al., 2006Ziegenbein, Hanssen, et al., 2006Carunchia Whetstine, Croissant, et al., 2005Celik, Gokturk, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5BPX-5MDN-55 % Phenyl methyl siloxaneDB-5
Column length (m) 60.25.30.30.25.
Carrier gas N2HeHeHeN2
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.251.0.25
Tstart (C) 70.50.50.40.75.
Tend (C) 230.300.250.250.210.
Heat rate (K/min) 2.5.3.7.3.
Initial hold (min) 2.5. 10.10.
Final hold (min) 20.  5.1.
I 1401.1421.1407.1440.1409.
ReferenceChoi, 2005Dickschat J.S., Wagner-Dobler I., et al., 2005Dugo, Mondello, et al., 2005Estevez, Ventanas, et al., 2005bin Jantan, Yalvema, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase ZB-5Mega 5MSRTX-5HP-5MSHP-5
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (μm) 0.50.250.250.25 
Tstart (C) 40.40.45.60.60.
Tend (C) 265.240.300.280.260.
Heat rate (K/min) 7.3.3.4.3.
Initial hold (min)  2.6.5. 
Final hold (min) 5. 10.  
I 1403.1402.1408.1407.1413.
ReferenceMahattanatawee, Rouseff, et al., 2005Verzera, Trozzi, et al., 2005Dugo, Mondello, et al., 2004Grujic-Jovanovic, Skaltsa, et al., 2004Javidnia, Miri, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5SPB-1SPB-1SPB-1SPB-1
Column length (m) 30.30.30.25.25.
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 50.35.35.35.35.
Tend (C) 310.225.225.225.225.
Heat rate (K/min) 4.4.4.4.4.
Initial hold (min)  5.5.10.10.
Final hold (min)  20.20.  
I 1409.1386.1390.1388.1388.
ReferenceSinger, Flach, et al., 2004Chisholm, Jell, et al., 2003Chisholm, Jell, et al., 2003Chisholm, Wilson, et al., 2003Chisholm, Wilson, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1DB-5HP-5HP-5DB-5
Column length (m) 25.30.30.30.30.
Carrier gas  N2N2N2 
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (μm) 0.250.250.250.250.5
Tstart (C) 35.70.60.60.40.
Tend (C) 225.230.220.220.265.
Heat rate (K/min) 4.2.5.5.7.
Initial hold (min) 10.2.10.10. 
Final hold (min)  20.  5.
I 1387.1401.1412.1410.1409.
ReferenceChisholm, Wilson, et al., 2003Choi, 2003Dural, Bagci, et al., 2003Flamini, Luigi Cioni, et al., 2003Högnadóttir and Rouseff, 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5Mega 5MSBPX-5DB-5
Column length (m) 30.30.30.50.30.
Carrier gas  HeHe He
Substrate      
Column diameter (mm) 0.320.250.250.320.25
Phase thickness (μm) 0.50.250.250.50.25
Tstart (C) 40.60.40.60.70.
Tend (C) 265.280.240.250.230.
Heat rate (K/min) 7.4.3.4.4.
Initial hold (min)  5.2.5.2.
Final hold (min) 5.  20.20.
I 1411.1407.1402.1422.1401.
ReferenceHögnadóttir and Rouseff, 2003Skaltsa, Demetzos, et al., 2003Verzera, Trozzi, et al., 2003Bredie, Mottram, et al., 2002Choi, Kim. M.-S.L., et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBBP-1CP Sil 8 CBSPB-1SPB-1
Column length (m) 50.50.60.15.15.
Carrier gas H2HeHe  
Substrate      
Column diameter (mm) 0.250.220.250.250.25
Phase thickness (μm) 0.150.250.250.250.25
Tstart (C) 40.60.40.35.35.
Tend (C) 300.220.250.225.225.
Heat rate (K/min) 4.2.4.6.6.
Initial hold (min) 3. 8.3.3.
Final hold (min)  20.10.10.10.
I 1408.1389.1399.1387.1395.
ReferenceHeinrich, Pfeifhofer, et al., 2002Lota, de Rocca Serra, et al., 2002Oruna-Concha, Ames, et al., 2002Chisholm, Wilson, et al., 2001Chisholm, Wilson, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-5HP-5HP-5MSCP Sil 8 CB
Column length (m) 30.30.30.30.60.
Carrier gas  H2HeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (μm) 0.250.25 0.250.25
Tstart (C) 40.60.50.60.40.
Tend (C) 240.240.200.280.280.
Heat rate (K/min) 7.3.4.4.4.
Initial hold (min)   1.5.2.
Final hold (min) 5.    
I 1385.1407.1417.1407.1414.
ReferenceLin and Rouseff, 2001Nogueira, Bittrich, et al., 2001Shalit, Katzir, et al., 2001Skaltsa, Mavrommati, et al., 2001Elmore, Mottram, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5DB-5HP-5Mega 5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 50.50.100.70.40.
Tend (C) 280.280.275.230.240.
Heat rate (K/min) 4.4.5.2.3.
Initial hold (min) 5.5.1. 2.
Final hold (min)   3.  
I 1406.1404.1407.1408.1402.
ReferenceLazari, Skaltsa, et al., 2000Lazari, Skaltsa, et al., 2000, 2Marques, McElfresh, et al., 2000Song, Sawamura, et al., 2000Verzera, la Rosa, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Mega 5MSHP-5BP-1OV-1OV-1
Column length (m) 30.30.50.20.20.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.220.320.32
Phase thickness (μm) 0.250.250.250.30.3
Tstart (C) 40.50.60.45.45.
Tend (C) 240.280.230.220.220.
Heat rate (K/min) 3.4.2.10.10.
Initial hold (min) 2.5. 5.5.
Final hold (min)   35.10.10.
I 1402.1406.1389.1389.1396.
ReferenceVerzera, Trozzi, et al., 2000Lazari, Skaltsa, et al., 1999Lota, Serra, et al., 1999Valero, Sanz, et al., 1999Valero, Sanz, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1OV-101OV-101OV-101OV-101
Column length (m) 30.50.50.50.50.
Carrier gas  HeN2N2He
Substrate      
Column diameter (mm) 0.250.310.250.250.32
Phase thickness (μm) 1.0.5  0.50
Tstart (C) -50.50.80.80.50.
Tend (C) 180.250.200.200.250.
Heat rate (K/min) 6.4.2.2.2.
Initial hold (min)      
Final hold (min)      
I 1390.1375.1387.1388.1367.
ReferenceHelmig, Pollock, et al., 1996Misharina, Golovnya, et al., 1992Yang, Sugisawa, et al., 1992Yang, Sugisawa, et al., 1992Misharina, Aerove, et al., 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryPackedPackedPacked
Active phase OV-1Apiezon MApiezon MSE-30
Column length (m) 60.1.51.5 
Carrier gas HeN2N2 
Substrate  Celite 545Celite 545Celite
Column diameter (mm) 0.25   
Phase thickness (μm)     
Tstart (C) 50.75.75.75.
Tend (C) 225.200.200.228.
Heat rate (K/min) 1.56.6. 
Initial hold (min)     
Final hold (min) 50.   
I 1388.1375.1382.1397.
ReferenceChen and Ho, 1987Golovnya and Uraletz, 1971Golovnya and Uraletz, 1971van den Dool and Kratz, 1963
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-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.

Zaikin, 2010
Zaikin, V.G., Personal communication: Retention indices measured during 2010, 2010. [all data]

Belsito E.L., Carbone C., et al., 2007
Belsito E.L.; Carbone C.; Di Gioia M.L.; Leggio A.; Liguoiri A.; Perri F.; Siciliano C.; Viscomi M.C., Comparison of the volatile constituents in cold-pressed bergamot oil and a volatile oil isolated by vacuum distillation, J. Agric. Food Chem., 2007, 55, 19, 7847-7851, https://doi.org/10.1021/jf070997q . [all data]

Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F., Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation, Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773 . [all data]

Duquesnoy, Castola, et al., 2007
Duquesnoy, E.; Castola, V.; Casanova, J., Composition and chemical variability of the twig oil of Abies alba Miller from Corsica, Flavour Fragr. J., 2007, 22, 4, 293-299, https://doi.org/10.1002/ffj.1796 . [all data]

Flamini, Tebano, et al., 2007
Flamini, G.; Tebano, M.; Cioni, P.L., Volatiles emission patterns of different plant organs and pollen of Citrus limon, Anal. Chim. Acta., 2007, 589, 1, 120-124, https://doi.org/10.1016/j.aca.2007.02.053 . [all data]

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Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J., Thymol derivatives from essential oil of Doronicum corsicum L., Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824 . [all data]

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Bylaite, E.; Meyer, A.S., · Characterisation of volatile aroma compounds of orange juices by three dynamic and static headspace gas chromatography techniques, Eur. Food Res. Technol., 2006, 222, 1-2, 176-184, https://doi.org/10.1007/s00217-005-0141-8 . [all data]

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Kukic J., Petrovic S., et al., 2006
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Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Vundac, Pfeifhofer, et al., 2006
Vundac, V.B.; Pfeifhofer, H.W.; Brantner, A.H.; Males, Z.; Plazibat, M., Essential oils of seven Stachys taxa from Croatia, Biochem. Syst. Ecol., 2006, 34, 12, 875-881, https://doi.org/10.1016/j.bse.2006.04.010 . [all data]

Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A., Chemical constituents of the essential oils of three wood-rotting fungi, Flavour Fragr. J., 2006, 21, 5, 813-816, https://doi.org/10.1002/ffj.1732 . [all data]

Carunchia Whetstine, Croissant, et al., 2005
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Celik, Gokturk, et al., 2005
Celik, S.; Gokturk, R.S.; Flamini, G.; Cioni, P.L.; Morelli, I., Essential oils of Phlomis leucophracta, Phlomis chimerae and Phlomis grandiflora var. grandiflora from Turkey, Biochem. Syst. Ecol., 2005, 33, 6, 617-623, https://doi.org/10.1016/j.bse.2004.11.010 . [all data]

Choi, 2005
Choi, H.-S., Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil, J. Agric. Food Chem., 2005, 53, 5, 1642-1647, https://doi.org/10.1021/jf040324x . [all data]

Dickschat J.S., Wagner-Dobler I., et al., 2005
Dickschat J.S.; Wagner-Dobler I.; Schulz S., The chafer pheromone buibuilactone and ant pyrazines are also produced by marine bacteria, J. Chem. Ecol., 2005, 31, 4, 925-947, https://doi.org/10.1007/s10886-005-3553-9 . [all data]

Dugo, Mondello, et al., 2005
Dugo, P.; Mondello, L.; Favoino, O.; Cicero, L.; Rodriguez Zenteno, N.A.; Dugo, G., Characterization of cold-pressed Mexican dancy tangerine oils, Flavour Fragr. J., 2005, 20, 1, 60-66, https://doi.org/10.1002/ffj.1367 . [all data]

Estevez, Ventanas, et al., 2005
Estevez, M.; Ventanas, S.; Ramirez, R.; Cava, R., Influence of the Addition of Rosemary Essential Oil on the Volatiles Pattern of Porcine Frankfurters, J. Agric. Food Chem., 2005, 53, 21, 8317-8324, https://doi.org/10.1021/jf051025q . [all data]

bin Jantan, Yalvema, et al., 2005
bin Jantan, I.; Yalvema, M.F.; Ayop, N.; Ahmad, A.S., Constituents of the essential oils of Cinnamomum sintoc Blume from a mountain forest of Peninsular Malaysia, Flavour Fragr. J., 2005, 20, 6, 601-604, https://doi.org/10.1002/ffj.1495 . [all data]

Mahattanatawee, Rouseff, et al., 2005
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Verzera, Trozzi, et al., 2005
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Dugo, Mondello, et al., 2004
Dugo, P.; Mondello, L.; Zappia, G.; Bonaccorsi, I.; Cotroneo, A.; Russo, M.T., The composition of the volatile fraction and the enantiomeric distribution of five volatile components of faustrime oil (Monocitrus australatica x Fortunella sp. x Citrus aurantifolia), J. Essent. Oil Res., 2004, 16, 4, 328-333, https://doi.org/10.1080/10412905.2004.9698734 . [all data]

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Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Kamalinejad, M.; Sarkarzadeh, H.; Jamalian, A., Chemical composition of the essential oils of Anthemis altissima L. grown in Iran, Flavour Fragr. J., 2004, 19, 3, 213-216, https://doi.org/10.1002/ffj.1277 . [all data]

Singer, Flach, et al., 2004
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Chisholm, Jell, et al., 2003
Chisholm, M.G.; Jell, J.A.; Cass, D.M., Jr., Characterization of the major odorants found in the peel oil of Citrus reticulata Blanco cv. Clementine using gas chromatography-olfactometry, Flavour Fragr. J., 2003, 18, 4, 275-281, https://doi.org/10.1002/ffj.1188 . [all data]

Chisholm, Wilson, et al., 2003
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M., Characterization of aroma volatiles in key lime essential oils (Cirtrus aurantifolia Swingle), Flavour Fragr. J., 2003, 18, 2, 106-115, https://doi.org/10.1002/ffj.1172 . [all data]

Choi, 2003
Choi, H.-S., Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil, J. Agric. Food Chem., 2003, 51, 9, 2687-2692, https://doi.org/10.1021/jf021069o . [all data]

Dural, Bagci, et al., 2003
Dural, H.; Bagci, Y.; Ertugrul, K.; Demirelma, H.; Flamini, G.; Cioni, P.L.; Morelli, I., Essential oil composition of two endemic Centaurea species from Turkey, Centaurea mucronifera and Centaurea chrysantha, collected in the same habitat, Biochem. Syst. Ecol., 2003, 31, 12, 1417-1425, https://doi.org/10.1016/S0305-1978(03)00128-5 . [all data]

Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I., Short communication. Use of solid-phase micro-extraction as a sampling technique in the determination of volatiles emitted by flowers, isolated flower parts and pollen, J. Chromatogr. A, 2003, 998, 1-2, 229-233, https://doi.org/10.1016/S0021-9673(03)00641-1 . [all data]

Högnadóttir and Rouseff, 2003
Högnadóttir, Á.; Rouseff, R.L., Identification of aroma active compounds in organce essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry, J. Chromatogr. A, 2003, 998, 1-2, 201-211, https://doi.org/10.1016/S0021-9673(03)00524-7 . [all data]

Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M., Essential oil analysis and antimicrobial activity of eight Stachys species from Greece, Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8 . [all data]

Verzera, Trozzi, et al., 2003
Verzera, A.; Trozzi, A.; Gazea, F.; Cicciarelloi, G.; Cotroneo, A., Effects of rootstock on the composition of bergamot (Citrus bergamia Risso et Poiteau) essential oil, J. Agric. Food Chem., 2003, 51, 1, 206-210, https://doi.org/10.1021/jf0206872 . [all data]

Bredie, Mottram, et al., 2002
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E., Effect of temperature and pH on the generation of flavor volatiles in extrusion cooking of wheat flour, J. Agric. Food Chem., 2002, 50, 5, 1118-1125, https://doi.org/10.1021/jf0111662 . [all data]

Choi, Kim. M.-S.L., et al., 2002
Choi, H.-S.; Kim. M.-S.L.; Sawamura, M., Constituents of the essential oil of cnidium officinale Makino, a Korean medicinal plant, Flavour Fragr. J., 2002, 17, 1, 49-53, https://doi.org/10.1002/ffj.1038 . [all data]

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Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References