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Geranyl isovalerate


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

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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 NIST Mass Spectrometry Data Center
NIST MS number 413709

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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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1604.Asuming, Beauchamp, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min
CapillaryBP-11582.Rajeswara Rao, Kaul, et al., 200530. m/0.32 mm/0.25 «mu»m, 5. K/min, 245. C @ 10. min; Tstart: 60. C
CapillaryBP-11582.Rao, Kaul, et al., 200530. m/0.32 mm/0.25 «mu»m, 5. K/min, 245. C @ 10. min; Tstart: 60. C
CapillaryCross-Linked Methylsilicone1585.Rajeswara Rao, Kaul, et al., 200250. m/0.2 mm/0.25 «mu»m, He, 4. K/min; Tstart: 100. C; Tend: 280. C
CapillaryBP-11579.Jain, Aggarwal, et al., 200125. m/0.55 mm/0.25 «mu»m, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C
CapillaryBP-11583.Rao, Sastry, et al., 200025. m/0.50 mm/0.25 «mu»m, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C
CapillaryBP-11578.Kulkarni, Mallavarapu, et al., 1998N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 220. C
CapillaryMethyl Silicone1580.Mallavarapu, Rao, et al., 1998N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 220. C

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1880.Kulkarni, Mallavarapu, et al., 1998N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 200. C
CapillaryCarbowax 20M1923.Mallavarapu, Rao, et al., 1998N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 200. C
CapillaryCarbowax 20M1913.Randriamiharisoa and Gaydou, 1987He, 2. K/min; Column length: 50. m; Column diameter: 0.3 mm; Tstart: 70. C; Tend: 210. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-11573.Blagojevic, Radulovic, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
CapillaryDB-51582.Blagojevic, Radulovic, et al., 200630. m/0.2 mm/0.25 «mu»m, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
CapillaryHP-5MS1597.Saroglou, Dorizas, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryMethyl Silicone1605.Píry, Príbela, et al., 199525. m/0.2 mm/0.3 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 200. 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-5MS1610.7Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1898.Píry, Príbela, et al., 199550. m/0.2 mm/0.2 «mu»m, He, 30. C @ 2. min, 4. K/min, 170. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-51605.Raal, Orav, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-11585.Sonboli, Kanani, et al., 200760. m/0.25 mm/0.25 «mu»m, Nitrogen, 5. K/min, 250. C @ 10. min; Tstart: 60. C
CapillaryNB-301585.Orav, Raal, et al., 200630. m/0.2 mm/0.25 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryNB-301590.Orav, Raal, et al., 200630. m/0.2 mm/0.25 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillarySPB-11590.Hamilton, Hall, et al., 200530. m/0.25 mm/0.2 «mu»m, 60. C @ 2. min, 6. K/min; Tend: 250. C
CapillaryHP-51606.Ghannadi, Sajjadi, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 60. C; Tend: 275. C
CapillaryOV-1011605.Kuiate, Bessière, et al., 2002He, 5. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C
CapillaryBP-11588.Gupta, Mallavarapu, et al., 200130. m/0.25 mm/0.25 «mu»m, N2, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-11600.Stashenko, Puertas, et al., 199660. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 2.5 K/min; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1606.Sharopov, Sulaimonova, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
CapillaryDB-11591.Delort and Jaquier, 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)
CapillaryHP-51613.Zhao, Li, et al., 200830. m/0.25 mm/0.25 «mu»m; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
CapillaryHP-51588.Yasar, Üçüncü, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 60C(5min) => 3C/min => 120C (2min) => 2C/min => 200C (2min) => 3C/min => 320C
CapillaryDB-11590.Miguel, Simões, et al., 200430. m/0.25 mm/0.25 «mu»m, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min)
CapillarySE-301593.Vinogradov, 2004Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101910.Raal, Orav, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryNB-20M1877.Orav, Raal, et al., 200630. m/0.2 mm/0.25 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillaryDB-Wax1925.Hamilton, Hall, et al., 200530. m/0.25 mm/0.2 «mu»m, 60. C @ 2. min, 6. K/min; Tend: 250. C
CapillaryInnowax1893.Suleimenov, Atazharova, et al., 2003He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryInnowax1904.Kaya, Baser, et al., 199960. m/0.25 mm/0.25 «mu»m, He, 60. C @ 10. min; Tend: 220. C
CapillaryHP-Innowax1904.Kaya, Baser, et al., 1999, 260. m/0.25 mm/0.25 «mu»m, He, 60. C @ 10. min; Tend: 220. C
CapillaryDB-Wax1919.Stashenko, Puertas, et al., 199660. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 2.5 K/min; Tend: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP Innowax FSP1893.Tabanca N., Demirci B., et al., 200760. m/0.25 mm/0.25 «mu»m, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1924.Suleimenov Y.M., Atazhanova G.A., et al., 200660. m/0.25 mm/0.25 «mu»m, He; Program: 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryCarbowax 20M1895.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.

Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W., Essential oil composition of four Lomatium Raf. species and their chemotaxonomy, Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005 . [all data]

Rajeswara Rao, Kaul, et al., 2005
Rajeswara Rao, B.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S., Chemical profiles of primary and secondary essential oils of palmarosa (Cymbopogon martinii (Roxb.) Wats var. motia Burk.), Ind. Crops Prod., 2005, 21, 1, 121-127, https://doi.org/10.1016/j.indcrop.2004.02.002 . [all data]

Rao, Kaul, et al., 2005
Rao, B.R.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S., Chemical profiles of primary and secondary essential oils of palmarosa (Cymbopogon martinii (Roxb.) Wats var. motia Burk.), Ind. Crops Prod., 2005, 21, 1, 121-127, https://doi.org/10.1016/j.indcrop.2004.02.002 . [all data]

Rajeswara Rao, Kaul, et al., 2002
Rajeswara Rao, B.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S., Water soluble fractions of rose scented geranium (Pelargonium species) essential oil, Bioresour. Technol., 2002, 84, 3, 243-246, https://doi.org/10.1016/S0960-8524(02)00057-3 . [all data]

Jain, Aggarwal, et al., 2001
Jain, N.; Aggarwal, K.K.; Syamasundar, K.V.; Srivastava, S.K.; Kumar, S., Essential oil composition of geranium (Pelargonium sp.) from the plains of Northern India, Flavour Fragr. J., 2001, 16, 1, 44-46, https://doi.org/10.1002/1099-1026(200101/02)16:1<44::AID-FFJ943>3.0.CO;2-X . [all data]

Rao, Sastry, et al., 2000
Rao, B.R.R.; Sastry, K.P.; Saleem, S.M.; Rao, E.V.S.P.; Syamasundar, K.V.; Ramesh, S., Volatile flower oils of three genotypes of rose-scented geranium (Pelargonium sp.), Flavour Fragr. J., 2000, 15, 2, 105-107, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<105::AID-FFJ875>3.0.CO;2-G . [all data]

Kulkarni, Mallavarapu, et al., 1998
Kulkarni, R.N.; Mallavarapu, G.R.; Baskaran, K.; Ramesch, S.; Kumar, S., Composition of the essential oils of two isomenthone-rich variants of geranium (Pelargonium sp.), Flavour Fragr. J., 1998, 13, 6, 389-392, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<389::AID-FFJ757>3.0.CO;2-2 . [all data]

Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K., Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.), Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B . [all data]

Randriamiharisoa and Gaydou, 1987
Randriamiharisoa, R.P.; Gaydou, E.M., Composition of Palmarosa (Cymbopogon martinii) essential oil from Madagascar, J. Agric. Food Chem., 1987, 35, 1, 62-66, https://doi.org/10.1021/jf00073a015 . [all data]

Blagojevic, Radulovic, et al., 2006
Blagojevic, P.; Radulovic, N.; Palic, R.; Stojanovic, G., Chemical composition of the essential oils of Serbian wild-growing Srtemisia absinthium and Artemisia vulgaris, J. Agric. Food Chem., 2006, 54, 13, 4780-4789, https://doi.org/10.1021/jf060123o . [all data]

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]

Píry, Príbela, et al., 1995
Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P., Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods, Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7 . [all data]

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

Raal, Orav, et al., 2007
Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M., Variation in the composition of the essential oil of Valeriana officinalis L. roots from Estonia, Proc. Est. Acad. Sci. Chem., 2007, 56, 2, 67-74. [all data]

Sonboli, Kanani, et al., 2007
Sonboli, A.; Kanani, M.R.; Yousefzadi, M.; Mojarrad, M., Biological activity and composition of the essential oil of Tetrataenium nephrophyllum (Apiaceae) from Iran, Natural Product Communications, 2007, 2, 12, 1249-1252. [all data]

Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T., Composition of the essential oil of Artemisia absinthium L. of different geographical origin, Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]

Hamilton, Hall, et al., 2005
Hamilton, J.G.C.; Hall, D.R.; Kirk, W.D.J., Identification of a male-produced aggregation pheromone in the western flower thrips, J. Chem. Ecol., 2005, 31, 6, 1369-1379, https://doi.org/10.1007/s10886-005-1351-z . [all data]

Ghannadi, Sajjadi, et al., 2002
Ghannadi, A.; Sajjadi, S.E.; Beigihasan, A., Composition of the essential oil of Ferula ovina (Boiss.) Boiss. from Iran, DARU, 2002, 10, 4, 165-167, retrieved from http://www1.tums.ac.ir/daru/Daru4%202002/Ghannadi.PDF. [all data]

Kuiate, Bessière, et al., 2002
Kuiate, J.-R.; Bessière, J.-M.; Zollo, P.-H.A., Composition of the essential oils from three Laggera Spp. from Cameroon, Flavour Fragr. J., 2002, 17, 2, 105-108, https://doi.org/10.1002/ffj.1057 . [all data]

Gupta, Mallavarapu, et al., 2001
Gupta, R.; Mallavarapu, G.R.; Banerjee, S.; Kumar, S., Characteristics of an isomenthone-rich somaclonal mutant isolated in a geraniol-rich rose-scented geranium accession of Pelargonium graveolens, Flavour Fragr. J., 2001, 16, 5, 319-324, https://doi.org/10.1002/ffj.1002 . [all data]

Stashenko, Puertas, et al., 1996
Stashenko, E.E.; Puertas, M.A.; Combariza, M.Y., Volatile secondary metabolites from Spilanthes americana obtained by simultaneous steam distillation--solvent extraction and supercritical fluid extraction, J. Chromatogr. A, 1996, 752, 1-2, 223-232, https://doi.org/10.1016/S0021-9673(96)00480-3 . [all data]

Sharopov, Sulaimonova, et al., 2012
Sharopov, F.S.; Sulaimonova, V.A.; Setzer, W.N., Composition of the essential oil of Ertemisia absinthium from Tajikistan, Rec. Nat. Prod., 2012, 6, 2, 127-134. [all data]

Delort and Jaquier, 2009
Delort, E.; Jaquier, A., Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract, Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922 . [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Yasar, Üçüncü, et al., 2005
Yasar, A.; Üçüncü, O.; Güleç, C.; Inceer, H.; Ayaz, S.; Yayh, N., GC-MS analysis of chloroform extracts in flowers, stems, and roots of Tripleurospermum callosum, Pharm. Biol., 2005, 43, 2, 108-112, https://doi.org/10.1080/13880200590919384 . [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]

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

Suleimenov, Atazharova, et al., 2003
Suleimenov, E.M.; Atazharova, G.A.; Demirchi, B.; Baser, K.H.C.; Adekenov, S.M., Essential oil composition of Artemisia Lercheana and A. Sieversiana of Kazakhstan flora in Recent problems of development of new medicines of natural origin, Proceedings of symposium, St.Petersburg - Pushkin, 2003, 382-385. [all data]

Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F., The essential oil of Acinos alpinus (L.) Moench growing in Turkey, Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q . [all data]

Kaya, Baser, et al., 1999, 2
Kaya, A.; Baser, K.H.C.; Tümen, G.; Koca, F., The essential oil of Acinos suaveolens (Sm.) G. Don fil. Acinos arvensis (Lam.) Dandy and Acinos rotundifolius Pers. growing wild in Turkey, Flavour Fragr. J., 1999, 14, 1, 60-64, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<60::AID-FFJ785>3.0.CO;2-0 . [all data]

Tabanca N., Demirci B., et al., 2007
Tabanca N.; Demirci B.; Crockett S.L.; Baser K.H.C.; Wedge D.E., Chemical composition and antifungal activity of Arnica longifolia, Aster hesperius, and Chrysothamnus nauseosus essential oils, J. Agric. Food Chem., 2007, 55, 21, 8430-8435, https://doi.org/10.1021/jf071379c . [all data]

Suleimenov Y.M., Atazhanova G.A., et al., 2006
Suleimenov Y.M.; Atazhanova G.A.; Ozek T.; Demirci B.; Kulyyasov A.T.; Adekenov S.M.; Baser K.H.C., Essential oil composition of three species of Achillea from Kazakhstan, Chem. Nat. Compd. (Engl. Transl.), 2006, 37, 5, 447-450, https://doi.org/10.1023/A:1014471326724 . [all data]


Notes

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