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1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3«alpha»,3a«beta»,6«alpha»,7«beta»,8a«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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Additional Data

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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 158180

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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, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30180.1768.Tudor and Moldovan, 1999 
CapillarySE-30100.1768.3Tudor, 199740. m/0.35 mm/0.35 «mu»m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-51762.Yáñez, Pinzón, et al., 200250. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 2.5 K/min; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillaryDB-51762.Maccioni, Baldini, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51758.Song, Sawamura, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 70. C; Tend: 230. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1779.7Andriamaharavo, 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

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Column type Active phase I Reference Comment
CapillaryDB-Wax2150.Choi and Sawamura, 200060. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-51762.Bousaada, Ammar, et al., 200830. m/0.25 mm/0.25 «mu»m, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min
CapillaryDB-51763.Salehi, Sefidkon, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 4. min, 3. K/min; Tend: 220. C
CapillaryDB-11771.Choi, 200360. m/0.25 mm/0.25 «mu»m, He, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

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

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Column type Active phase I Reference Comment
CapillaryOV-11748.Hafez and Abdel-Salam, 200430. m/0.25 mm/0.25 «mu»m, He; Program: 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C
CapillarySE-301759.Vinogradov, 2004Program: not specified
CapillaryMethyl Silicone1759.Zenkevich, 1999Program: not specified
CapillaryOV-1011766.Shibamoto, 1987Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-Innowax2151.Bousaada, Ammar, et al., 200830. m/0.25 mm/0.25 «mu»m, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min
CapillaryDB-Wax2147.Choi, 200460. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax2143.Choi, 2004, 260. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M2173.Vinogradov, 2004Program: not specified
CapillaryCarbowax 20M2173.Shibamoto, 1987Program: 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.

Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D., Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation, J. Chromatogr., 1999, 848, 1-2, 215-227, https://doi.org/10.1016/S0021-9673(99)00412-4 . [all data]

Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

Yáñez, Pinzón, et al., 2002
Yáñez, X.; Pinzón, M.L.; Solano, F.; Sánchez, L.R., Chemical composition of the essential oil of Psidium caudatum McVaugh, Molecules, 2002, 7, 9, 712-716, https://doi.org/10.3390/70900712 . [all data]

Maccioni, Baldini, et al., 2007
Maccioni, S.; Baldini, R.; Luigi Cioni, P.; Tebano, M.; Flamini, G., In vivo volatiles emission and essential oils from different organs and pollen of Cistus albidus from Caprione (Eastern Liguria, Italy), Flavour Fragr. J., 2007, 22, 1, 61-65, https://doi.org/10.1002/ffj.1759 . [all data]

Song, Sawamura, et al., 2000
Song, H.S.; Sawamura, M.; Ito, T.; Kawashimo, K.; Ukeda, H., Quantitative determination of characteric flavour of Citrus junos (yuzu) peel oil, Flavour Fragr. J., 2000, 15, 4, 245-250, https://doi.org/10.1002/1099-1026(200007/08)15:4<245::AID-FFJ904>3.0.CO;2-V . [all data]

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

Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M., Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu), J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e . [all data]

Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z., Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia, Microbiol. Res., 2008, 163, 1, 87-95, https://doi.org/10.1016/j.micres.2007.02.010 . [all data]

Salehi, Sefidkon, et al., 2005
Salehi, P.; Sefidkon, F.; Bazzaz Tolami, L.; Sonboli, A., Essential oil composition of Salvia palaestina Benth. from Iran, Flavour Fragr. J., 2005, 20, 5, 525-527, https://doi.org/10.1002/ffj.1448 . [all data]

Choi, 2003
Choi, H.-S., Characterization of citrus unshiu (C. unshiu Marcov. forma Miyagawa-wase) blossom aroma by solid-phase microextraction in conjunction with an electronic nose, J. Agric. Food Chem., 2003, 51, 2, 418-423, https://doi.org/10.1021/jf0114280 . [all data]

Hafez and Abdel-Salam, 2004
Hafez, S.S.; Abdel-Salam, H.A., chemical composition and antimicrobial activity of the volatile constituents of thuja occidentalis L. growing in Egipt, Alexandria J. Pharm. Sci., 2004, 18, 1, 41-47. [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, 1999
Zenkevich, I.G., Analytical Parameters of Components of essential Oils for their Gas Chromatographic and Chromato-Mass-Spectral Identification. Acetates of Terpene Alcohols, Rastitelnye Resursy (Plant Resources), 1999, 35, 1, 30-37. [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]

Choi, 2004
Choi, H.-S., Volatile constituents of satsuma mandarins growing in Korea, Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283 . [all data]

Choi, 2004, 2
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]


Notes

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