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4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, [1S-(1«alpha»,4«alpha»,7«alpha»)]-


Mass spectrum (electron ionization)

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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

Spectrum

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 9249

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Gas Chromatography

Go To: Top, Mass spectrum (electron ionization), 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

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51395.Buchin, Salmon, et al., 200260. m/0.32 mm/1. «mu»m, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min
CapillaryBP-11378.Raina, Srivastava, et al., 200225. m/0.55 mm/0.25 «mu»m, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51380.Yu, Liao, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 250. C @ 10. min; Tstart: 50. C
CapillaryDB-51380.Masoudi, Esmaeili, et al., 200650. m/0.2 mm/0.32 «mu»m, N2, 60. C @ 3. min, 5. K/min, 220. C @ 5. min
CapillaryHP-5MS1388.Karioti, Hadjipavlou-Litina, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryRTX-51380.Shellie, Marriott, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 45. C @ 6. min, 3. K/min; Tend: 250. C
CapillaryHP-51382.Flamini, Cioni, et al., 200230. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryHP-51375.Kovacevic, Pavlovic, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-51377.Couladis, Baziou, et al., 200130. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 260. C @ 10. min; Tstart: 60. C
CapillaryDB-51406.Moio, Piombino, et al., 200030. m/0.32 mm/1. «mu»m, H2, 3. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-51409.Moio, Piombino, et al., 200030. m/0.32 mm/1. «mu»m, H2, 3. K/min; Tstart: 40. C; Tend: 210. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-Wax1518.Shellie, Marriott, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 45. C @ 6. min, 3. K/min; Tend: 250. C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11374.Xu, Tang, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min
CapillaryDB-51381.Scrivanti, Anton, et al., 200930. m/0.25 mm/0.25 «mu»m, Nitrogen, 2. K/min; Tstart: 40. C; Tend: 230. C
CapillaryHP-5 MS1383.Zhao, Zeng, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 4. K/min; Tstart: 50. C; Tend: 280. C
CapillaryHP-5 MS1377.Baziou, Couladis, et al., 20083. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 280. C
CapillaryVF-5MS1389.Kowalski, 200830. m/0.25 mm/0.25 «mu»m, Helium, 240. C @ 1. min, 20. K/min; Tend: 320. C
CapillaryDB-51376.Khayyat and Karimi, 2005He, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 60. C; Tend: 240. C
CapillaryDB-51382.Senatore, Apostolides Arnold, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min
CapillaryRSL-2001383.Jirovetz, Buchbauer, et al., 200330. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryHP-51381.Mookdasanit, Tamura, et al., 2003Helium, 2. K/min, 210. C @ 60. min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 70. C
CapillaryMDN-51374.Jelén, 200230. m/0.25 mm/0.25 «mu»m, 40. C @ 3. min, 8. K/min; Tend: 280. C
CapillaryDB-51378.Kobaisy, Tellez, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51385.Novak, Novak, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryCP Sil 5 CB1370.Bos, Woerdenbag, et al., 199725. m/0.32 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 50. C; Tend: 290. C
CapillaryCP Sil 5 CB1370.Bos, Woerdenbag, et al., 199725. m/0.32 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 50. C; Tend: 290. C
CapillaryHP-51401.Larsen and Frisvad, 199535. C @ 2. min, 6. K/min; Tend: 200. C
CapillarySE-301378.Ramaswami, Briscese, et al., 198850. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m
CapillarySE-301378.Ramaswami, Briscese, et al., 198650. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11375.Xu, Tang, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-51381.Riahi, Pourbasheer, et al., 2009Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillarySE-301378.Vinogradov, 2004Program: not specified
CapillaryMethyl Silicone1378.Zenkevich, 1996Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1527.Hymete, Rohloff, et al., 200730. m/0.32 mm/0.25 «mu»m, He, 40. C @ 1. min, 3. K/min, 220. C @ 2. min
CapillaryDB-Wax1485.Wei A. and Shibamoto T., 200760. m/0.25 mm/0.25 «mu»m, He, 60. C @ 8. min, 3. K/min, 180. C @ 80. min
CapillaryDB-Wax1489.Mookdasanit, Tamura, et al., 2003Helium, 2. K/min, 210. C @ 60. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 70. C
CapillaryCarbowax 20M1488.Kasali, Oyedeji, et al., 200130. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 215. C
CapillarySupelcowax-101488.Ramaswami, Briscese, et al., 198850. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m
CapillarySupelcowax-101488.Ramaswami, Briscese, et al., 1986He, 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1478.Vinogradov, 2004Program: not specified

References

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Buchin, Salmon, et al., 2002
Buchin, S.; Salmon, J.-C.; Carnat, A.-P.; Berger, T.; Bugaud, C.; Bosset, J.O., Identification de composés monoterpéniques, sesquiterpéniques et benzéniques dans un lait d'alpage très riche en ces substances, Mitt. Lebensmittelunters. Hyg., 2002, 93, 199-216. [all data]

Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K., Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India, Flavour Fragr. J., 2002, 17, 2, 99-102, https://doi.org/10.1002/ffj.1053 . [all data]

Yu, Liao, et al., 2007
Yu, J.Q.; Liao, Z.X.; Cai, X.Q.; Lei, J.C.; Zou, G.L., Composition, antimicrobial activity and cytotoxicity of essential oils from Aristolochia mollissima, Environmental Toxicology and Pharmacology, 2007, 23, 2, 162-167, https://doi.org/10.1016/j.etap.2006.08.004 . [all data]

Masoudi, Esmaeili, et al., 2006
Masoudi, S.; Esmaeili, A.; Khalilzadeh, M.A.; Rustaiyan, A.; Moazami, N.; Akhgar, M.R.; Varavipoor, M., Volatile constituents of Dorema aucheri Boiss., Seseli libanotis (L.) W. D. Koch var. armeniacum bordz. and Conium maculatum L. three Umbelliferae herbs growing wild in Iran, Flavour Fragr. J., 2006, 21, 5, 801-804, https://doi.org/10.1002/ffj.1722 . [all data]

Karioti, Hadjipavlou-Litina, et al., 2004
Karioti, A.; Hadjipavlou-Litina, D.; Mensah, M.L.K.; Fleischer, T.C.; Skaltsa, H., Composition and antioxidant activity of the essential oils of Xylopia aethiopica (Dun) A. Rich. (Annonaceae) leaves, stem bark, root bark, and fresh and dried fruits, growing in Ghana, J. Agric. Food Chem., 2004, 52, 26, 8094-8098, https://doi.org/10.1021/jf040150j . [all data]

Shellie, Marriott, et al., 2003
Shellie, R.; Marriott, P.; Zappia, G.; Mondello, L.; Dugo, G., Interactive use of linear retention indices on polar and apolar columns with an MS-Library for reliable characterization of Australian tea tree and other Melaleuca sp. oils, J. Essent. Oil Res., 2003, 15, 5, 305-312, https://doi.org/10.1080/10412905.2003.9698597 . [all data]

Flamini, Cioni, et al., 2002
Flamini, G.; Cioni, P.L.; Morelli, I., Differences in the fragrances of pollen and different floral parts of male and female flowers of Laurus nobilis, J. Agric. Food Chem., 2002, 50, 16, 4647-4652, https://doi.org/10.1021/jf020269x . [all data]

Kovacevic, Pavlovic, et al., 2002
Kovacevic, N.; Pavlovic, M.; Menkovic, N.; Tzakou, O.; Couladis, M., Composition of the essential oil from roots and rhizomes of Valeriana pancicii Halácsy Bald, Flavour Fragr. J., 2002, 17, 5, 355-357, https://doi.org/10.1002/ffj.1100 . [all data]

Couladis, Baziou, et al., 2001
Couladis, M.; Baziou, P.; Petrakis, P.V.; Harvala, C., Essential oil composition of Hypericum perfoliatum L. growing in different locations in Greece, Flavour Fragr. J., 2001, 16, 3, 204-206, https://doi.org/10.1002/ffj.979 . [all data]

Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F., Odour-impact compounds of Gorgonzola cheese, J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106 . [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A., Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy, Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009 . [all data]

Zhao, Zeng, et al., 2009
Zhao, C.; Zeng, Y.; Wan, M.; Li, R.; Liang, Y.; Li, C.; Zeng, Z.; Chau, F.-T., Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC-MS and chemometric resolution methods, J. Sep. Sci., 2009, 32, 4, 660-670, https://doi.org/10.1002/jssc.200800484 . [all data]

Baziou, Couladis, et al., 2008
Baziou, P.; Couladis, M.; Petrakis, P.V.; Verykokidou, E.; Harvala, C., Composition and antioxidant activity of the essential oil of Hypericum perfoliatum from Greece, 2008, retrieved from http://www.amapseec.org/cmapseec.1/Papers/papp065.htm. [all data]

Kowalski, 2008
Kowalski, R., Antimicrobial activity of essential oils and extracts of rosinweed (Silphoum trifoliatum and Silphium integrifolium) plants used by the American Indians, Flav. Fragr. J., 2008, 23, 6, 426-433, https://doi.org/10.1002/ffj.1901 . [all data]

Khayyat and Karimi, 2005
Khayyat, M.H.; Karimi, H., Composition of the volatile oils of three different species of Artemisia, Iranian Journal of Pharmaceutical Sciences, 2005, 1, 1, 29-32. [all data]

Senatore, Apostolides Arnold, et al., 2005
Senatore, F.; Apostolides Arnold, N.; Bruno, M., Volatile components of Centaurea eryngioides Lam. and Centaurea liberica Trev. var. hermonis Boiss. Lam., two Asteraceae growing wild in Lebanon, Nat. Prod. Res., 2005, 19, 8, 749-754, https://doi.org/10.1080/14786410412331302136 . [all data]

Jirovetz, Buchbauer, et al., 2003
Jirovetz, L.; Buchbauer, G.; Shafi, M.P.; Leela, N.K., Analysis of the essential oils of the leaves, stems, rhizomes and roots of the medicinal plant Alpinia galanga from southern India, Acta Pharm. Hung., 2003, 53, 73-81. [all data]

Mookdasanit, Tamura, et al., 2003
Mookdasanit, J.; Tamura, H.; Yoshizawa T.; Tokunaga T.; Nakanishi, K., Trace Volatile Compounds in Essential Oil of Citrus Sudachi by Means of Modified Solvent Extraction Method, Food Sci Technol. Res., 2003, 9, 1, 54-61, https://doi.org/10.3136/fstr.9.54 . [all data]

Jelén, 2002
Jelén, H.H., Volatile sesquiterpene hydrocarbons characteristic for Penicillium roqueforti strains producing PR toxin, J. Agric. Food Chem., 2002, 50, 22, 6569-6574, https://doi.org/10.1021/jf020311o . [all data]

Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O., Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb., Phytochemistry, 2002, 61, 1, 37-40, https://doi.org/10.1016/S0031-9422(02)00207-8 . [all data]

Novak, Novak, et al., 2000
Novak, J.; Novak, S.; Bitsch, C.; Franz, C.M., Essential oil composition of underground parts of Valeriana celtica ssp. from Austria and Italy, Flavour Fragr. J., 2000, 15, 1, 40-42, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<40::AID-FFJ863>3.0.CO;2-B . [all data]

Bos, Woerdenbag, et al., 1997
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Smit, H.F.; Wikström, H.V.; Scheffer, J.J.C., Composition of the essential oil from roots and rhizomes of Valeriana wallichii DC, Flavour Fragr. J., 1997, 12, 2, 123-131, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<123::AID-FFJ613>3.0.CO;2-4 . [all data]

Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C., Characterization of volatile metabolites from 47 Penicillium taxa, Mycol. Res., 1995, 99, 10, 1153-1166, https://doi.org/10.1016/S0953-7562(09)80271-2 . [all data]

Ramaswami, Briscese, et al., 1988
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T., Sesquiterpene hydrocarbons: from mass confusion to orderly line-up in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 951-980. [all data]

Ramaswami, Briscese, et al., 1986
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T., Sesquiterpene hydrocarbons: from mass confusion to orderly line-up in Flavors and Fragrances: A World Perspective, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Proceedings of the 10th International Congress of Essential Oils, Fragrances, and Flavors, Washington, DC, 1986, 951-959. [all data]

Riahi, Pourbasheer, et al., 2009
Riahi, S.; Pourbasheer, E.; Ganjali, M.R.; Norouzi, P., Investigation of different linear and non-linear chemometric methods for modeling of retention index of essential oil components: Concerns to support vector mashine, J. Hazard. Mat., 2009, 166, 2-3, 853-859, https://doi.org/10.1016/j.jhazmat.2008.11.097 . [all data]

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

Hymete, Rohloff, et al., 2007
Hymete, A.; Rohloff, J.; Iversen, T.-H.; Kjosen, H., Volatile constituents of the roots of Echinops kebericho Mesfin, Flavour Fragr. J., 2007, 22, 1, 35-38, https://doi.org/10.1002/ffj.1746 . [all data]

Wei A. and Shibamoto T., 2007
Wei A.; Shibamoto T., Antioxidant activities and volatile constituents of various essential oils, J. Agric. Food Chem., 2007, 55, 5, 1737-1742, https://doi.org/10.1021/jf062959x . [all data]

Kasali, Oyedeji, et al., 2001
Kasali, A.A.; Oyedeji, A.O.; Ashilokun, A.O., Volatile leaf oil constituents of Cymbopogon citratus (DC) Stapf, Flavour Fragr. J., 2001, 16, 5, 377-378, https://doi.org/10.1002/ffj.1019 . [all data]


Notes

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References