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Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1«alpha»,7«beta»,8a«alpha»)]-


Normal alkane 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 VF-5VF-5HP-5 MSDB-5HP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min)not specified50 0C (1.5 min) 10 0C/min -> 180 0C (2 min) 6 0C/min -> 280 0C (10 min)not specified40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min)
I 1512.1499.1500.1491.1499.
ReferenceShivashankar, Roy, et al., 2012Shivashankar, Roy, et al., 2012Wang, Xu, et al., 2011Scherer, Wagner, et al., 2010Fan, Lu, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSSPB-5SPB-5HP-5HP-5
Column length (m) 30.  30.30.
Carrier gas Helium  HeliumHelium
Substrate      
Column diameter (mm) 0.25  0.250.25
Phase thickness (mum) 0.25  0.250.25
Program 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min)not specifiednot specified40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min)not specified
I 1495.1483.1491.1495.1498.
ReferenceMancini, Arnold, et al., 2009Kilani, Ledauphin, et al., 2008Kilani, Ledauphin, et al., 2008Qiao, Xie, et al., 2008Qiao, Xie, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSDB-1HP-5MSDB-5 MSHP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 40C(10min) => 3C/min => 200C => 2C/min => 220C45C => 3C/min => 175C => 15C/min => 300C (10min)40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C60 0C 3 0C/min -> 210 0C 5 0C/min -> 250 0C40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
I 1493.1477.1494.1513.1493.
ReferenceCole, Haber, et al., 2007Ferreira, Meireles de Sousa, et al., 2007Formisano, Mignola, et al., 2007Haznagy-Radnai, Szigle, et al., 2007Moriarity, Bansal, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1HP-5 MSHP-5MSHP-5MSHP-5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeHeliumHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.25  0.250.25
Program 45C => 3C/min => 175C => 15C/min => 300C(10min)40 0C (10 min) 3 oC/min -> 200 0C 2 0C/min -> 220 0C40C(10min) => 3C/min => 200C => 2C/min => 220C40C(3min) => 6C/min => 160C => 10C/min => 300C (10min)40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C
I 1477.1492.1493.1493.1491.
ReferenceRodrigues, Antunes, et al., 2007Setzer, Stokes, et al., 2007Takaku, Haber, et al., 2007Yu, Huang, et al., 2007Formisano C., Senatore F., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5DB-5HP-5MSVF-5MS
Column length (m) 30.30.30.30.30.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250Cnot specified40C (5min) => 2C/min => 250C(15min) => 5C/min => 270C (10min)40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C40C(1min) => 15C/min => 100C => 4C/min => 250C (1min)
I 1510.1510.1495.1495.1492.
ReferenceJordan, Martinez, et al., 2006Martinez, Madrid, et al., 2006Massardo, Senatore, et al., 2006Senatore, Apostolides Arnold, et al., 2006Xie, Sun, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5DB-1HP-5MSHP-5
Column length (m) 30.30.30.30.30.
Carrier gas  HeHeHe 
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum)  0.10.250.250.25
Program 65C(1min) => 1C/min => 75C (2min) => 0.5C/min => 81C(2min) => 3C/min => 180C(7min)35C => 4C/min => 180C => 20C/min => 280C45C => 3C/min => 175C => 15C/min => 300C (10min)50C(3min) => 3C/min => 150C(10min) => 10C/min => 250C40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C
I 1493.1491.1477.1496.1495.
ReferenceSingh, Maurya, et al., 2005Barros-Filho, Nunes, et al., 2004Miguel, Simões, et al., 2004Sahin, Gulluce, et al., 2004Senatore, Apostolides Arnold, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30SE-30Methyl SiliconeDB-5HP-5
Column length (m)    30.30.
Carrier gas   HeHeHe
Substrate      
Column diameter (mm)    0.250.25
Phase thickness (mum)    0.250.25
Program not specifiednot specified60 0C 3 0C/min -> 200 0C 15 0C/min -> 250 0C (5 min)40C (1min) => 9C/min => 130C => 2C/min => 230C60C (4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C
I 1481.1487.1490.1485.1510.
ReferenceVinogradov, 2004Vinogradov, 2004Demyttenaere, Morina, et al., 2003Hamm, Lesellier, et al., 2003Jordán, Martínez, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSDB-5MSHP-5DB-1DB-5
Column length (m) 25.30.30.30.30.
Carrier gas HeHe  He
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 40C(2min) => 8C/min => 160C => 15C/min => 250C(3min)not specifiednot specified45 0C 3 K/min -> 175 0C 15 K/min -> 300 0C (10 min)40C => 2C/min => 60C => 4C/min => 260C
I 1490.1482.1488.1477.1492.
ReferenceDemyttenaere, Moriña, et al., 2002Phutdhawong, Korth, et al., 2002Aparicio, Romero, et al., 2001Figueiredo, Miguel, et al., 2001Andrade, Maia, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase Methyl SiliconeOV-101OV-101
Column length (m)    
Carrier gas    
Substrate    
Column diameter (mm)    
Phase thickness (mum)    
Program not specifiednot specifiednot specified
I 1481.1490.1487.
ReferenceZenkevich, 1996Menut, Lamaty, et al., 1994Shibamoto, 1987
Comment 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.

Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R., Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss, Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]

Wang, Xu, et al., 2011
Wang, J.; Xu, L.; Yang, L.; Liu, Z.; Zhou, L., Composition, antibacterial and antioxidant activities of essential oils from Ligusticum sinense and L. jaholense (Unvelliferae) from China, Rec. Nat. Prod., 2011, 5, 4, 314-318. [all data]

Scherer, Wagner, et al., 2010
Scherer, R.; Wagner, R.; Meireles, M.A.A.; Godoy, H.T.; Duarte, M.C.T.; Filho, J.T., Biological activity and chemical composition of hydrodistilled and supercritical extracts of Xanthium strumarium L. leaves, J. Essen. Oil. Res., 2010, 22, 5, 424-429, https://doi.org/10.1080/10412905.2010.9700363 . [all data]

Fan, Lu, et al., 2009
Fan, G.; Lu, W.; Yao, X.; Zhang, Y.; Wang, K.; Pan, S., effect of fermentation on free and bound volatile compounds of orange juice, Flavour Fragr. J., 2009, 24, 5, 219-229, https://doi.org/10.1002/ffj.1931 . [all data]

Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F., Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon, Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725 . [all data]

Kilani, Ledauphin, et al., 2008
Kilani, S.; Ledauphin, J.; Bouhlel, I.; Ben Sghaier, M.; Boubaker, J.; Skandrani, I.; Mosrati, R.; Ghedira, K.; Barillier, D.; Chekir-Ghedira, L., Comparative study of Cyperus rotundus essential oil by a modified GC/MS analysis method. Evaluation of its antioxidantt, cytotoxic, and apoptoic effects, Chem. Biodiversity, 2008, 5, 5, 729-742, https://doi.org/10.1002/cbdv.200890069 . [all data]

Qiao, Xie, et al., 2008
Qiao, Y.; Xie, B.J.; Zhang, Y.; Zhang, Y.; FAn, G.; Yao, X.L.; Pan, S.Y., Characterization of aroma active compounds in fruit juice and peel oil of Junchen sweet orange fruit (Citrus sinensis (L.) Osbeck) by GC-MS and GC-O, Molecules, 2008, 13, 6, 1333-1344, https://doi.org/10.3390/molecules13061333 . [all data]

Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N., Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica, Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013 . [all data]

Ferreira, Meireles de Sousa, et al., 2007
Ferreira, N.J.; Meireles de Sousa, I.G.; Luís, T.C.; Currais, A.J.M.; Figueiredo, C.; Cost, M.M.; Lima, A.S.B.; Santos, P.A.G.; Barroso, J.G.; Pedro, L.G.; Scheffer, J.J.C., Pittosporum undulatum Vent. grown in Portugal: secretory structures, seasonal variation and enantiomeric composition of its essential oil, Flavour Fragr. J., 2007, 22, 1, 1-9, https://doi.org/10.1002/ffj.1748 . [all data]

Formisano, Mignola, et al., 2007
Formisano, C.; Mignola, E.; Rigano, D.; Senatore, F.; Bellone, G.; Bruno, M.; Rosselli, S., Chemical composition and antimicrobial activity of the essential oil from aerial parts of Micromeria fruticulosa (Bertol.) Grande (Lamiaceae) growing wild in Southern Italy, Flavour Fragr. J., 2007, 22, 4, 289-292, https://doi.org/10.1002/ffj.1795 . [all data]

Haznagy-Radnai, Szigle, et al., 2007
Haznagy-Radnai, E.; Szigle, Sz.; Mathe, I., Analysis of the essential oil of Downy wounderwort (Stachys Germanica L.), Acta Fac. Pharm. Univer. Comenianae, 2007, 54, 78-83. [all data]

Moriarity, Bansal, et al., 2007
Moriarity, D.M.; Bansal, A.; Cole, R.A.; Takaku, S.; Haber, W.A.; Setzer, W.N., Selective cytotoxic activities of leaf essential oils from Monteverde Costa Rica, Natural Product Communications, 2007, 2, 12, 1263-1268. [all data]

Rodrigues, Antunes, et al., 2007
Rodrigues, F.S.L.M.; Antunes, L.C.S.; Figueiredo, A.C.; Costa, M.M.; Pereira, J.D.S.; Colaço, R.D.R.; Miranda, H.H.S.; Barroso, J.G.; Pedro, L.G.; Scheffer, J.J.C., Composition of the leaf, flower and fruit volatile oils of Pittosporum tobira (Thunb.) W. T. Aiton grown in three locations in Portugal, Flavour Fragr. J., 2007, 22, 4, 311-316, https://doi.org/10.1002/ffj.1798 . [all data]

Setzer, Stokes, et al., 2007
Setzer, W.N.; Stokes, S.L.; Penton, A.F.; Takaku, S.; Haber, W.A.; Hansell, E.; Caffrey, C.R.; McKerrow, J.H., Cruzain inhibitory activity of leaf essential oils of neotropical Lauraceae and essential oil components, Natural Product Communications, 2007, 2, 12, 1203-1210. [all data]

Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N., Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica, Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003 . [all data]

Yu, Huang, et al., 2007
Yu, Y.; Huang, T.; Yang, B.; Liu, X.; Duan, G., Development of gas chromatography-mass spectrometry with microwave distillation and simultaneous solid-phase microextraction for rapid determination of volatile constituents in ginger, J. Pharm. Biomed. Anal., 2007, 43, 1, 24-31, https://doi.org/10.1016/j.jpba.2006.06.037 . [all data]

Formisano C., Senatore F., et al., 2006
Formisano C.; Senatore F.; Bruno M.; Bellone G., Chemical composition and antimicrobial activity of the essential oil of Phlomis ferruginea Ten. (Lamiaceae) growing wild in Southern Italy, Flavour Fragr. J., 2006, 21, 5, 848-851, https://doi.org/10.1002/ffj.1740 . [all data]

Jordan, Martinez, et al., 2006
Jordan, M.J.; Martinez, R.M.; Goodner, K.L.; Baldwin, E.A.; Sotomayor, J.A., Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition, Ind. Crops Prod., 2006, 24, 3, 253-263, https://doi.org/10.1016/j.indcrop.2006.06.011 . [all data]

Martinez, Madrid, et al., 2006
Martinez, S.; Madrid, J.; Hernández, F.; Megias, M.D.; Sotomayor, J.A.; Jordan, M.J., Effect of thyme essential oils (Thymus hyemalis and Thymus zygis) and Monensin on in Vitro Ruminal degradation and volatile fatty acid production, J. Agric. Food Chem., 2006, 54, 18, 6598-6602, https://doi.org/10.1021/jf060985p . [all data]

Massardo, Senatore, et al., 2006
Massardo, D.R.; Senatore, F.; Alifano, P.; del Giudice, L.; Pontieri, P., Vetiver oil production correlates with early root growth, Biochem. Syst. Ecol., 2006, 34, 5, 376-382, https://doi.org/10.1016/j.bse.2005.10.016 . [all data]

Senatore, Apostolides Arnold, et al., 2006
Senatore, F.; Apostolides Arnold, N.; Piozzi, F.; Formisano, C., Chemical composition of the essential oil of Salvia microstegia Boiss. et Balansa growing wild in Lebanon, J. Chromatogr. A, 2006, 1108, 2, 276-278, https://doi.org/10.1016/j.chroma.2006.01.066 . [all data]

Xie, Sun, et al., 2006
Xie, J.; Sun, B.; Yu, M., Constituents of top fragrance from fresh flowers of Robinia Pseudoacacia L. occurring in China, Flavour Fragr. J., 2006, 21, 5, 798-800, https://doi.org/10.1002/ffj.1720 . [all data]

Singh, Maurya, et al., 2005
Singh, G.; Maurya, S.; Catalan, C.; de Lampasona, M.P., Studies on essential oils, Part 42: chemical, antifungal, antioxidant and sprout suppressant studies on ginger essential oil and its oleoresin, Flavour Fragr. J., 2005, 20, 1, 1-6, https://doi.org/10.1002/ffj.1373 . [all data]

Barros-Filho, Nunes, et al., 2004
Barros-Filho, B.A.; Nunes, F.M.; de Oliveira, M.C.F.; Mafezoli, J.; Andrade-Neto, M.; Silveira, E.R.; Pirani, J.R., Volatile constituents from Esenbeckia almawillia (Rutaceae), Biochem. Syst. Ecol., 2004, 32, 9, 817-821, https://doi.org/10.1016/j.bse.2004.02.003 . [all data]

Miguel, Simões, et al., 2004
Miguel, G.; Simões, M.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Carvalho, L., Composition and antioxidant activities of the essential oils of Thymus caespititius, Thymus camphoratus and Thymus mastichina, Food Chem., 2004, 86, 2, 183-188, https://doi.org/10.1016/j.foodchem.2003.08.031 . [all data]

Sahin, Gulluce, et al., 2004
Sahin, F.; Gulluce, M.; Daferera, D.; Sokmen, A.; Sokmen, M.; Polissiou, M.; Agar, G.; Ozer, H., Biological activities of the essential oils and methanol extract of Origanum vulgare ssp. vulgare in the Eastern Anatolia region of Turkey, Food Control, 2004, 15, 7, 549-557, https://doi.org/10.1016/j.foodcont.2003.08.009 . [all data]

Senatore, Apostolides Arnold, et al., 2004
Senatore, F.; Apostolides Arnold, N.; Piozzi, F., Chemical composition of the essential oil of Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon, J. Chromatogr. A, 2004, 1052, 1-2, 237-240, https://doi.org/10.1016/j.chroma.2004.08.095 . [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, Morina, et al., 2003
Demyttenaere, J.C.R.; Morina, R.M.; Sandra, P., Monitoring and fast detection of mycotoxin-producing fungi based on headspace solid-phase microextraction and headspace sorptive extraction of the volatile metabolites, J. Chromatogr. A, 2003, 985, 1-2, 127-135, https://doi.org/10.1016/S0021-9673(02)01417-6 . [all data]

Hamm, Lesellier, et al., 2003
Hamm, S.; Lesellier, E.; Bleton, J.; Tchapla, A., Optimization of headspace solid phase microextraction for gas chromatography/mass spectrometry analysis of widely different volatility and polarity terpenoids in olibanum, J. Chromatogr. A, 2003, 1018, 1, 73-83, https://doi.org/10.1016/j.chroma.2003.08.027 . [all data]

Jordán, Martínez, et al., 2003
Jordán, M.J.; Martínez, R.M.; Cases, M.A.; Sotomayor. J.A., Watering level effect on Thymus hyemalis lange essential oil yield and composition, J. Agric. Food Chem., 2003, 51, 18, 5420-5427, https://doi.org/10.1021/jf034335m . [all data]

Demyttenaere, Moriña, et al., 2002
Demyttenaere, J.C.R.; Moriña, R.M.; Sandra, P.; Schelfaut, M., Monitoring and fast detection of mycotoxin-producing fungi based on headspace solid-phase microextraction and headspace sorptive extraction of the volatile metabolites in 25th International Symposium on Capillary Chromatography, 2002, 1-12. [all data]

Phutdhawong, Korth, et al., 2002
Phutdhawong, W.; Korth, J.; Buddhasukh, D.; Pyne, S.G., Volatile components from Cephalotaxus griffithii growing in northern Thailand, Flavour Fragr. J., 2002, 17, 2, 153-155, https://doi.org/10.1002/ffj.1064 . [all data]

Aparicio, Romero, et al., 2001
Aparicio, R.; Romero, M.; Rojas, L.B.; Khouri, N.; Usubillaga, A., Composition of the essential oil of four species of Ruilopezia from the Venezuelan Andes, Flavour Fragr. J., 2001, 16, 3, 172-174, https://doi.org/10.1002/ffj.973 . [all data]

Figueiredo, Miguel, et al., 2001
Figueiredo, A.C.; Miguel, M.G.; Duarte, A.M.F.; Barroso, J.G.; Pedro, L.G., Essential oil composition of Thymus lotocephallus G. López R. Morales, collected during flowering and vegetative phases, Flavour Fragr. J., 2001, 16, 6, 417-421, https://doi.org/10.1002/ffj.1028 . [all data]

Andrade, Maia, et al., 2000
Andrade, E.H.A.; Maia, J.G.S.; Zoghbi, M.G.B., Aroma volatile constituents of Brazilian varieties of mango fruit, J. Food Comp. Anal., 2000, 13, 1, 27-33, https://doi.org/10.1006/jfca.1999.0841 . [all data]

Zenkevich, 1996
Zenkevich, I.G., Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Mass Spectral Identification. Mono- and Sesquiterpenes, Rastitelnye Resursy (Plant resources), 1996, 34, 1-2, 48-58. [all data]

Menut, Lamaty, et al., 1994
Menut, C.; Lamaty, G.; Bessiere, J.M.; Ayedoun, M.A.; Setondji, J.; Samate, D.; Nacro, M., Aromatic Plants from Tropical West Africa. II. Volatile Constituents of Daniella oliveri (Rolfe) Hutch Dalz. from Benin and Burkina Faso, J. Essent. Oil Res., 1994, 6, 6, 647-649, https://doi.org/10.1080/10412905.1994.9699362 . [all data]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]


Notes

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References