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«beta»-Humulene


Mass spectrum (electron ionization)

Go To: Top, Gas Chromatography, 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

Spectrum

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chemical Concepts
NIST MS number 158080

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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-51454.Buchin, Salmon, et al., 200260. m/0.32 mm/1. «mu»m, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min
CapillaryBPX-51440.Fournier, Hadjiakhoondi, et al., 199750. m/0.22 mm/0.25 «mu»m, N2, 60. C @ 10. min, 2. K/min; Tend: 185. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-51440.Frizzo, Serafini, et al., 200130. m/0.32 mm/0.25 «mu»m, H2; Program: 60 0C (8 min) 3 K/min -> 180 0C 20 K/min (20 min)

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

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Column type Active phase I Reference Comment
CapillaryBP-11454.Gonny, Cavaleiro, et al., 200650. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryPE-51436.Isidorov and Vinogorova, 2003He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 280. C
CapillaryHP-51441.Isidorov, Vinogorova, et al., 200325. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 150. C
CapillaryCP Sil 5 CB1454.Montanarella, Bos, et al., 1986N2, 4. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 70. C; Tend: 295. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1453.5Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillarySE-521439.Bruni, Bianchi, et al., 200730. m/0.32 mm/0.15 «mu»m, He; Program: 45C => 1C/min => 100C => 5C/min => 250C(10min)
Capillary5 % Phenyl methyl siloxane1439.Sacchetti, Maietti, et al., 200530. m/0.32 mm/0.15 «mu»m, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillaryHP-51441.Isidorov, Krajewska, et al., 200030. m/0.25 mm/0.25 «mu»m; Program: 40C(1min) => 3C/min => 120C => 5C/min => 280C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-201668.Gonny, Cavaleiro, et al., 200650. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-11481.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-51439.Scrivanti, Anton, et al., 200930. m/0.25 mm/0.25 «mu»m, Nitrogen, 2. K/min; Tstart: 40. C; Tend: 230. C
CapillaryDB-51438.Askari and Sefidkon, 200630. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 4. K/min; Tend: 260. C
CapillaryOV-1011445.Lattoo, Dhar, et al., 200625. m/0.25 mm/0.25 «mu»m, He, 8. K/min; Tstart: 100. C; Tend: 250. C
CapillaryHP-51439.Velickovic, Ristic, et al., 200325. m/0.32 mm/0.53 «mu»m, Helium, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryHP-51441.Velickovic, Ristic, et al., 200325. m/0.32 mm/0.53 «mu»m, Helium, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryCBP-11439.Labuckas, Zygadlo, et al., 1999He, 4. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 60. C; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11454.Xu, Tang, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-5MS1455.Formisano, Mignola, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C
CapillaryHP-5 MS1454.Schmidt, Noletto, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
CapillarySE-521439.Tognolini, Barocelli, et al., 200630. m/0.32 mm/0.15 «mu»m, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillaryHP-5MS1456.Deng, Li, et al., 200430. m/0.25 mm/0.25 «mu»m, He; Program: 60C => 10C/min => 160C => 12C/min => 300C (5min)
CapillarySE-301452.Vinogradov, 2004Program: not specified
CapillaryMethyl Silicone1452.Zenkevich, 1996Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1670.Feng, Zhuang, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 1. min, 3. K/min, 220. C @ 5. min
CapillaryDB-Wax1674.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-Wax1675.Lattoo, Dhar, et al., 200625. m/0.25 mm/0.25 «mu»m, He, 8. K/min; Tstart: 100. C; Tend: 250. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1654.Feng, Zhuang, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP Innowax1674.Noorizadeh and Farmany, 201060. m/0.25 mm/0.33 «mu»m; Program: not specified
CapillaryHP-Innowax1689.Formisano, Mignola, et al., 200750. m/0.2 mm/0.2 «mu»m, He; Program: 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C
CapillaryCarbowax 20M1660.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]

Fournier, Hadjiakhoondi, et al., 1997
Fournier, G.; Hadjiakhoondi, A.; Leboeuf, M.; Cavé, A.; Charles, B., Essential oils of annonaceae. Part VII. Essential oils of Monanthotaxis declina (Sprague) verdcourt and Unonopsis guatterioides R. E. Fries, Flavour Fragr. J., 1997, 12, 2, 95-98, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<95::AID-FFJ611>3.0.CO;2-Z . [all data]

Frizzo, Serafini, et al., 2001
Frizzo, C.D.; Serafini, L.A.; Dellacassa, E.; Lorenzo, D.; Moyna, P., Essential oil of Baccharis uncinella DC. from Southern Brazil, Flavour Fragr. J., 2001, 16, 4, 286-288, https://doi.org/10.1002/ffj.998 . [all data]

Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J., Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR, Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527 . [all data]

Isidorov and Vinogorova, 2003
Isidorov, V.A.; Vinogorova, V.T., GC-MS analysis of compounds extracted from buds of Populus balsamifera and Populus nigra, Z. Naturforsch. C:, 2003, 58, 355-360. [all data]

Isidorov, Vinogorova, et al., 2003
Isidorov, V.A.; Vinogorova, V.T.; Rafalowski, K., HS-SPME analysis of volatile organic compounds of coniferous needle litter, Atmos. Environ., 2003, 37, 33, 4645-4650, https://doi.org/10.1016/j.atmosenv.2003.07.005 . [all data]

Montanarella, Bos, et al., 1986
Montanarella, L.; Bos, R.; Fischer, F.C., The Essential Oil in Lamina and Petiole of Heracleum dissectum Leaves, Planta Medica, 1986, 52, 04, 332-334, https://doi.org/10.1055/s-2007-969171 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Bruni, Bianchi, et al., 2007
Bruni, R.; Bianchi, A.; Bellardi, M.G., Essential oil composition of Agastache anethiodora Britton (Lamiaceae) infected by cucumber mosaic virus (CMV), Flavour Fragr. J., 2007, 22, 1, 66-70, https://doi.org/10.1002/ffj.1760 . [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]

Isidorov, Krajewska, et al., 2000
Isidorov, V.; Krajewska, U.; Bal, K.; Jaroszynska, J.; Niesluchowska, A.; Fuksman, I., GC-MS identification of multicomponent organic compounds mixtures using extra column phase equilibrium, Chem. Anal. (Warsaw), 2000, 45, 513-520. [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]

Askari and Sefidkon, 2006
Askari, F.; Sefidkon, F., Essential oil composition of Pimpinella affinis Ledeb. from two localities in Iran, Flavour Fragr. J., 2006, 21, 5, 754-756, https://doi.org/10.1002/ffj.1619 . [all data]

Lattoo, Dhar, et al., 2006
Lattoo, S.K.; Dhar, R.S.; Dhar, A.K.; Sharma, P.R.; Agarwal, S.G., Dynamics of essential oil biosynthesis in relation to inflorescence and glandular ontogeny in Salvia sclarea, Flavour Fragr. J., 2006, 21, 5, 817-821, https://doi.org/10.1002/ffj.1733 . [all data]

Velickovic, Ristic, et al., 2003
Velickovic, A.S.; Ristic, M.S.; Velickovic, D.T.; Ilic, S.; Mitic, N.D., The possibilities of the application of some species of sage (Salvia L.) as auxiliaries in the treatment of some diseases, J. Serb. Chem. Soc., 2003, 68, 6, 435-445, https://doi.org/10.2298/JSC0306435V . [all data]

Labuckas, Zygadlo, et al., 1999
Labuckas, D.O.; Zygadlo, J.A.; Faillaci, S.M.; Espinar, L.A., Constituents of the volatile oil of Porophyllum obscurum (Spreng.) D.C., Flavour Fragr. J., 1999, 14, 2, 107-108, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<107::AID-FFJ799>3.0.CO;2-E . [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]

Schmidt, Noletto, et al., 2006
Schmidt, J.M.; Noletto, J.A.; Vogler, B.; Setzer, W.N., Abaco Bush Medicine: Chemical composition of the essential oils of four aromatic medicinal plants from Abaco Island, Bahamas, J. Herbs, Spices Medicinal Plants, 2006, 12, 3, 43-65, https://doi.org/10.1300/J044v12n03_04 . [all data]

Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M., Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity, Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020 . [all data]

Deng, Li, et al., 2004
Deng, C.; Li, N.; Zhang, X., Rapid determination of essential oil in Acorus tatarinowii Schott. by pressurized hot water extraction followed by solid-phase microextraction and gas chromatography-mass spectrometry, J. Chromatogr. A, 2004, 1059, 1-2, 149-155, https://doi.org/10.1016/j.chroma.2004.10.005 . [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]

Feng, Zhuang, et al., 2011
Feng, T.; Zhuang, H.; Ye, R.; Jin, Z.; Xu, X.; Xie, Z., Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose, Sensors and Actuators B: Chemical, 2011, 160, 1, 964-973, https://doi.org/10.1016/j.snb.2011.09.013 . [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]

Noorizadeh and Farmany, 2010
Noorizadeh, H.; Farmany, A., Exploration of linear and nonlinear modeling techniques to predict of retention index of essential oils, J. Chin. Chem. Soc., 2010, 1268-1277. [all data]


Notes

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