β-Pinene

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Van Den Dool and Kratz RI, non-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 BPX-5DB-5VF-5MSBPX-5DB-5MS
Column length (m) 30.30.30.30.30.
Carrier gas He He He
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 35C => 4C/min => 200C => 30C/min => 300C (3min)40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)50C(3min) => 200C(2min) => 15C/min => 300C(5min)
I 980.977.980.985.981.
ReferenceDharmawan, Kasapis, et al., 2007Basile, Senatore, et al., 2006Carasek and Pawliszyn, 2006Cardeal, da Silva, et al., 2006Eom S.H., Yang H.S., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52DB-5HP-5MSSE-52HP-5
Column length (m) 30. 30.30.30.
Carrier gas He HeHeHe
Substrate     Chromosorb W
Column diameter (mm) 0.32 0.250.320.32
Phase thickness (μm) 0.15 0.250.150.25
Program 45C => 1C/min => 100C => 5C/min => 250C (10min)not specified50C (3min) => 3C/min => 200C => 6C/min => 240C45C => 1C/min => 100C => 5C/min => 250C(10min)80 0C 8 K/min -> 150 0C 5 K/min -> 230 0C (10 min)
I 979.981.979.978.985.
ReferenceGuerrini, Sacchetti, et al., 2006Özel, Gögüs, et al., 2006Akpulat, Tepe, et al., 2005Bruni, Pellati, et al., 2005Gopanraj, Dan, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52CBP-55 % Phenyl methyl siloxaneDB-5MSDB-5MS
Column length (m) 25.30.30.30.30.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.250.25
Phase thickness (μm) 0.430.250.150.250.25
Program 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)60C => 3C/min => 240C => 10C/min => 280C(10min)45C => 1C/min => 100C => 5C/min => 250C (10min)40 (5min) => 4C/min => 140C => 4C/min => 200C (20min)40 (5min) => 4C/min => 140C => 4C/min => 200C (20min)
I 971.973.979.975.980.
ReferenceLorenzo, Paz, et al., 2005Oliveira, Campos, et al., 2005Sacchetti, Maietti, et al., 2005Zheng, Kim, et al., 2005Zheng, Kim, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52DB-5SE-52SE-52DB-5MS
Column length (m) 25.30.25.30.30.
Carrier gas H2He HeHe
Substrate      
Column diameter (mm) 0.320.320.320.520.25
Phase thickness (μm) 0.431.0.40.150.25
Program 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)45C => 1C/min => 100C => 5C/min => 250C (10min)40C(5min) => 4C/min => 160C => 8C/min => 240C (15min)
I 970.983.969.979.971.
ReferenceFrizzo, Lorenzo, et al., 2004Klesk, Qian, et al., 2004Lorenzo, Paz, et al., 2004Sacchetti, Medici, et al., 2004Kim, Lee, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52CP Sil 8 CBCBP-5HP-5SE-52
Column length (m) 25.50.50.30.25.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (μm) 0.25 0.250.250.40
Program 60C(8min) => 3C/min => 180C => 20C/min => 230C60C (2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min)60C(2min) => 3C/min => 240C => 10C/min => 280C(10min)5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min)60 C (8 min) 3 C/min -> 180 C 20 C/min -> 250 C (10 min)
I 972.980.974.964.967.
ReferenceLorenzo, Loayza, et al., 2003Mockute and Judzentiene, 2003Azevedo, Campos, et al., 2002Engel, Baty, et al., 2002Lorenzo, Loayza, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52SE-52BP-1SE-52SE-52
Column length (m) 30.30.50.25.30.
Carrier gas H2H2 H2H2
Substrate      
Column diameter (mm) 0.320.320.220.320.32
Phase thickness (μm) 0.420.420.250.400.40
Program 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)not specified60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 250 0C (10 min)60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 250 0C (10 min)
I 968.970.971.971.966.
ReferenceLorenzo, Paz, et al., 2002Lorenzo, Paz, et al., 2002Cavalli, Ranarivelo, et al., 2001Lorenzo, Dellacassa, et al., 2001Lorenzo, Paz, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52DB-1DB-1BP-1SE-54
Column length (m) 25.60.60. 30.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.250.25 0.32
Phase thickness (μm) 0.250.250.25 0.25
Program 60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C-20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C-20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280Cnot specified35C(2min) => 40C/min => 65C => 6C/min => 250C
I 979.980.983.971.970.
ReferenceLorenzo, Saavedra, et al., 2001Eri, Khoo, et al., 2000Eri, Khoo, et al., 2000Filippini, Tomi, et al., 2000Jagella and Grosch, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-5SE-52SE-54SE-54SE-52
Column length (m) 30.25.30.30.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (μm) 0.250.250.250.250.40
Program 35C(2min) => 40C/min => 65C => 6C/min => 250C60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (5min)35 0C 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 230 0C45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)
I 976.971.981.981.976.
ReferenceJagella and Grosch, 1999Loayza, de Groot, et al., 1999Tairu, Hofmann, et al., 1999Tairu, Hofmann, et al., 1999, 2Mondello, Dugo, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz 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.

Dharmawan, Kasapis, et al., 2007
Dharmawan, J.; Kasapis, S.; Curran, P.; Johnson, J.R., Characterization of volatile compounds in selected citrus fruits from Asia. Part I: freshly-squeezed juice, Flavour Fragr. J., 2007, 22, 3, 228-232, https://doi.org/10.1002/ffj.1790 . [all data]

Basile, Senatore, et al., 2006
Basile, A.; Senatore, F.; Gargano, R.; Sorbo, S.; Del Pezzo, M.; Lavitola, A.; Ritieni, A.; Bruno, M.; Spatuzzi, D.; Rigano, D.; Vuotto, M.L., Antibacterial and antioxidant activities in Sideritis italica (Miller) Greuter et Burdet essential oils, J. Ethnopharmacol., 2006, 107, 2, 240-248, https://doi.org/10.1016/j.jep.2006.03.019 . [all data]

Carasek and Pawliszyn, 2006
Carasek, E.; Pawliszyn, J., Screening of Tropical Fruit Volatile Compounds Using Solid-Phase Microextraction (SPME) Fibers and Internally Cooled SPME Fiber, J. Agric. Food Chem., 2006, 54, 23, 8688-8696, https://doi.org/10.1021/jf0613942 . [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Eom S.H., Yang H.S., et al., 2006
Eom S.H.; Yang H.S.; Weston L.A., An evaluation of the allelopathic potential of selected perennial groundcovers: Foliar volatiles of catmint (Nepeta x faassenii) inhibit seedling growth, J. Chem. Ecol., 2006, 32, 8, 1835-1848, https://doi.org/10.1007/s10886-006-9112-1 . [all data]

Guerrini, Sacchetti, et al., 2006
Guerrini, A.; Sacchetti, G.; Muzzoli, M.; Rueda, G.M.; Medici, A.; Besco, E.; Bruni, R., Composition of the Volatile Fraction of Ocotea bofo Kunth (Lauraceae) Calyces by GC-MS and NMR Fingerprinting and Its Antimicrobial and Antioxidant Activity, J. Agric. Food Chem., 2006, 54, 20, 7778-7788, https://doi.org/10.1021/jf0605493 . [all data]

Özel, Gögüs, et al., 2006
Özel, M.Z.; Gögüs, F.; Lewis, A.C., Determination of Teucrium chamaedrys volatiles by using direct thermal desorption-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry, J. Chromatogr. A, 2006, 1114, 1, 164-169, https://doi.org/10.1016/j.chroma.2006.02.036 . [all data]

Akpulat, Tepe, et al., 2005
Akpulat, H.A.; Tepe, B.; Sokmen, A.; Daferera, D.; Polissiou, M., Composition of the essential oils of Tanacetum argyrophyllum (C. Koch) Tvzel. var. argyrophyllum and Tanacetum parthenium (L.) Schultz Bip. (Asteraceae) from Turkey, Biochem. Syst. Ecol., 2005, 33, 5, 511-516, https://doi.org/10.1016/j.bse.2004.10.006 . [all data]

Bruni, Pellati, et al., 2005
Bruni, R.; Pellati, F.; Grazia Bellardi, M.; Benvenuti, S.; Paltrinieri, S.; Bertaccini, A.; Bianchi, A., Herbal drug quality and phytochemical composition of Hypericum perforatum L. affected by ash yellows phytoplasma infection, J. Agric. Food Chem., 2005, 53, 4, 964-968, https://doi.org/10.1021/jf0487654 . [all data]

Gopanraj, Dan, et al., 2005
Gopanraj; Dan, M.; Shiburaj, S.; Sethuraman, M.G.; George, V., Chemical composition and antibacterial activity of the rhizome oil of Hedychium larsenii, Acta Pharm. Sin., 2005, 55, 315-320. [all data]

Lorenzo, Paz, et al., 2005
Lorenzo, D.; Paz, D.; Davies, P.; Villamil, J.; Vila, R.; Canigueral, S.; Dellacassa, E., Application of Multidimensional Gas Chromatography to the Enantioselective Characterisation of the Essential Oil of Eupatorium buniifolium Hooker et Arnott, Phytochem. Anal., 2005, 16, 1, 39-44, https://doi.org/10.1002/pca.808 . [all data]

Oliveira, Campos, et al., 2005
Oliveira, M.J.; Campos, I.F.P.; Oliveira, C.B.A.; Santos, M.R.; Souza, P.S.; Santos, S.C.; Seraphin, J.C.; Ferri, P.H., Influence of growth phase on the essential oil composition of Hyptis suaveolens, Biochem. Syst. Ecol., 2005, 33, 3, 275-285, https://doi.org/10.1016/j.bse.2004.10.001 . [all data]

Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R., Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods, Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031 . [all data]

Zheng, Kim, et al., 2005
Zheng, C.H.; Kim, K.H.; Kim, T.H.; Lee, H.J., Analysis and characterization of aroma-active compounds of Schizandra chinensis (omija) leaves, J. Sci. Food Agric., 2005, 85, 1, 161-166, https://doi.org/10.1002/jsfa.1975 . [all data]

Frizzo, Lorenzo, et al., 2004
Frizzo, C.D.; Lorenzo, D.; Dellacassa, E., Composition and seasonal variation of the essential oils from two mandarin cultivars of Southern Brazil, J. Agric. Food Chem., 2004, 52, 10, 3036-3041, https://doi.org/10.1021/jf030685x . [all data]

Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R., Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington, J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721 . [all data]

Lorenzo, Paz, et al., 2004
Lorenzo, D.; Paz, D.; Davies, P.; Villamil, J.; Vila, R.; Cañigueral, S.; Dellacassa, E., Characterization and enantiomeric distribution of some terpenes in the essential oil of a Uruguayan biotype of Salvia sclarea L., Flavour Fragr. J., 2004, 19, 4, 303-307, https://doi.org/10.1002/ffj.1282 . [all data]

Sacchetti, Medici, et al., 2004
Sacchetti, G.; Medici, A.; Maietti, S.; Radice, M.; Muzzoli, M.; Manfredini, S.; Braccioli, E.; Bruni, R., Composition and functional properties of the essential oil of Amazonian basil, Ocimum micranthum Willd., Labiatae in comparison with commercial essential oils, J. Agric. Food Chem., 2004, 52, 11, 3486-3491, https://doi.org/10.1021/jf035145e . [all data]

Kim, Lee, et al., 2003
Kim, T.H.; Lee, S.M.; Kim, Y.-S.; Kim, K.H.; Oh, S.; Lee, H.J., Aroma dilution method using GC injector split ratio for volatile compounds extracted by headspace solid phase microextraction, Food Chem., 2003, 83, 1, 151-158, https://doi.org/10.1016/S0308-8146(03)00221-8 . [all data]

Lorenzo, Loayza, et al., 2003
Lorenzo, D.; Loayza, I.; Dellacassa, E., Composition of the essential oils from leaves of two Hedyosmum spp. from Bolivia, Flavour Fragr. J., 2003, 18, 1, 32-35, https://doi.org/10.1002/ffj.1146 . [all data]

Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A., Variability of the essential oils composition of Achillea millefolium ssp. millefolium growing wild in Lithuania, Biochem. Syst. Ecol., 2003, 31, 9, 1033-1045, https://doi.org/10.1016/S0305-1978(03)00066-8 . [all data]

Azevedo, Campos, et al., 2002
Azevedo, N.R.; Campos, I.F.P.; Ferreira, H.D.; Portes, T.A.; Seraphin, J.C.; de Paula, J.R.; Santos, S.C.; Ferri, P.H., Essential oil chemotypes in Hyptis suaveolens from Brazilian Cerrado, Biochem. Syst. Ecol., 2002, 30, 3, 205-216, https://doi.org/10.1016/S0305-1978(01)00075-8 . [all data]

Engel, Baty, et al., 2002
Engel, E.; Baty, C.; le Corre, D.; Souchon, I.; Martin, N., Flavor-active compounds potentially implicated in cooked cauliflower acceptance, J. Agric. Food Chem., 2002, 50, 22, 6459-6467, https://doi.org/10.1021/jf025579u . [all data]

Lorenzo, Loayza, et al., 2002
Lorenzo, D.; Loayza, I.; Dellacassa, E., Composition of the essential oil of Tagetes maxima Kuntze from Bolivia, Flavour Fragr. J., 2002, 17, 2, 115-118, https://doi.org/10.1002/ffj.1062 . [all data]

Lorenzo, Paz, et al., 2002
Lorenzo, D.; Paz, D.; Dellacassa, E.; Davies, P.; Vila, R.; Cañigueral, S., Essential oils of Mentha pulegium and Mentha rotundifolia from Uruguay, Braz. Arch. Biol. Technol., 2002, 45, 4, 519-524, https://doi.org/10.1590/S1516-89132002000600016 . [all data]

Cavalli, Ranarivelo, et al., 2001
Cavalli, J.-F.; Ranarivelo, L.; Ratsimbason, M.; Bernardini, A.-F.; Casanova, J., Constituents of the essential oil of six Helichrysum species from Madagascar, Flavour Fragr. J., 2001, 16, 4, 253-256, https://doi.org/10.1002/ffj.994 . [all data]

Lorenzo, Dellacassa, et al., 2001
Lorenzo, D.; Dellacassa, E.; Bonaccorsi, I.; Mondello, L., Uruguayan essential oils. Composition of leaf oil of Myrcianthes cisplatensis (Camb.) Berg. ('Guayabo colorado') (Myrtaceae), Flavour Fragr. J., 2001, 16, 2, 97-99, https://doi.org/10.1002/1099-1026(200103/04)16:2<97::AID-FFJ952>3.0.CO;2-C . [all data]

Lorenzo, Paz, et al., 2001
Lorenzo, D.; Paz, D.; Davies, P.; Vila, R.; Canigueral, S.; Dellacassa, E., Composition of a new essential oil type of Lippia alba (Mill.) N.E. Brown from Uruguay, Flavour Fragr. J., 2001, 16, 5, 356-359, https://doi.org/10.1002/ffj.1011 . [all data]

Lorenzo, Saavedra, et al., 2001
Lorenzo, D.; Saavedra, G.; Loayza, I.; Dellacassa, E., Composition of the essential oil of Erechtites hieracifolia from Bolivia, Flavour Fragr. J., 2001, 16, 5, 353-355, https://doi.org/10.1002/ffj.1010 . [all data]

Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G., Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization, J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850 . [all data]

Filippini, Tomi, et al., 2000
Filippini, M.-H.; Tomi, F.; Casanova, J., Composition of the leaf oil of Ferula arrigonii Bocchieri, Flavour Fragr. J., 2000, 15, 3, 195-198, https://doi.org/10.1002/1099-1026(200005/06)15:3<195::AID-FFJ891>3.0.CO;2-6 . [all data]

Jagella and Grosch, 1999
Jagella, T.; Grosch, W., Flavour and off-flavour compounds of black and white pepper ( Piper nigrum L.) I. Evaluation of potent odorants of black pepper by dilution and concentration techniques, Eur. Food Res. Technol., 1999, 209, 1, 16-21, https://doi.org/10.1007/s002170050449 . [all data]

Loayza, de Groot, et al., 1999
Loayza, I.; de Groot, W.; Lorenzo, D.; Dellacassa, E.; Mondello, L.; Dugo, G., Composition of the essential oil of Porophyllum ruderale (Jacq.) Cass. from Bolivia, Flavour Fragr. J., 1999, 14, 6, 393-398, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<393::AID-FFJ849>3.0.CO;2-5 . [all data]

Tairu, Hofmann, et al., 1999
Tairu, A.O.; Hofmann, T.; Schieberle, P., Characterization of the key aroma compounds in dried fruits of the West African peppertree Xylopia aethiopica (Dunal) A. Rich (Annonaceae) using aroma extract dilution analysis, J. Agric. Food Chem., 1999, 47, 8, 3285-3287, https://doi.org/10.1021/jf990228+ . [all data]

Tairu, Hofmann, et al., 1999, 2
Tairu, A.O.; Hofmann, T.; Schieberle, P., Identification of the key aroma compounds in dried fruits of Xylopia aethiopica in Perspectives on new crops and new users, Janick, J., ed(s)., ASHS Press, Alexandria, VA, USA, 1999, 474-478. [all data]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]


Notes

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