Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (-)-


Gas Chromatography

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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

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1478.Asuming, Beauchamp, et al., 200530. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min
CapillaryDB-51499.Buchin, Salmon, et al., 200260. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min
CapillaryHP-51472.Tzakou and Couladis, 200130. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryOV-1011495.Padrayuttawat, Tamura, et al., 199650. m/0.25 mm/0.2 μm, N2, 2. K/min, 200. C @ 60. min; Tstart: 80. C

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

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Column type Active phase I Reference Comment
CapillaryDB-5MS1468.Tuberoso, Kowalczyk, et al., 200530. m/0.25 mm/0.25 μm, He; Program: 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min)
CapillaryOV-11468.El-Shazly, Dorai, et al., 200215. m/0.317 mm/0.25 μm, He; Program: 50C(4min) => (4C/min) => 90C => (10C/min)=300C(10min)
CapillaryDB-51451.Roscigno, 199830. m/0.25 mm/0.25 μm; Program: 50C(5min) => 2C/min => 250C (60min) => 2C/min => 270C => 1C/min => 290C

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M150.1737.Andersen, Bissonette, et al., 1977Column length: 7.3 m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySupelcowax-101735.Tzakou and Couladis, 200130. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 75. C; Tend: 230. C

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone1474.Melo, Corrêa, et al., 200730. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 15. min; Tstart: 80. C
CapillaryHP-51503.Liu J.M., Nan P., et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
CapillaryHP-5MS1472.Silva-Brandão, Solferini, et al., 200630. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 300. C
CapillaryHP-51475.Flamini, Luigi Cioni, et al., 200530. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryHP-5MS1475.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-51476.Flamini, Cioni, et al., 200430. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51476.Flamini, Cioni, et al., 200430. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51495.Isidorov, Krajewska, et al., 200430. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 250. C
CapillaryDB-51475.Bader, Caponi, et al., 200330. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; Tstart: 60. C
CapillaryHP-11465.Nath, Sarma, et al., 200224. m/0.32 mm/0.17 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-51474.Maia, de Paula, et al., 200030. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryDB-51475.Maia, de Paula, et al., 200030. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 3. K/min; Tend: 240. 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-5MS1486.Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryBPX-51489.Dharmawan, Kasapis, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C => 4C/min => 200C => 30C/min => 300C (3min)
CapillaryBPX-51488.Cardeal, da Silva, et al., 200630. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)
CapillaryDB-11458.Suliman F.E.O., Fatope M.O., et al., 200630. m/0.25 mm/0.25 μm, He; Program: 35C => 2C/min => 200C => 5C/min => 240C

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

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Column type Active phase I Reference Comment
CapillaryHP-Wax1740.Bader, Caponi, et al., 200330. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryCP-Wax 52CB1686.Chagonda, Makanda, et al., 200025. m/0.25 mm/0.15 μm, 40. C @ 5. min, 3. K/min; Tend: 220. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51475.Rodriques, Amorim, et al., 201330. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-5 MS1488.Cui, Yang, et al., 201130. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 270. C
CapillaryDB-5 MS1475.Silva, Pott, et al., 201030. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-11487.Xu, Tang, et al., 201030. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min
CapillaryCP-Sil 5 CB1500.Hnawia, Menut, et al., 200930. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-51478.Ho, Wang, et al., 200930. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min; Tend: 250. C
CapillaryDB-5 MS1484.Noudogbessi, Yedomonhan, et al., 200830. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 300. C @ 5. min
CapillaryCP Sil 5 CB1474.Ayoub, Al-Azizi, et al., 2006He, 10. K/min; Column length: 25. m; Tstart: 80. C; Tend: 270. C
CapillaryDB-11450.Iranshahi, Amin, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min
CapillaryDB-51479.Morteza-Semnani, Akbarzadeh, et al., 200630. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-51474.Nickavar B., Kamalinejad M., et al., 200630. m/0.25 mm/0.25 μm, 50. C @ 0.5 min, 2.5 K/min; Tend: 265. C
CapillaryHP-51475.Pino, Sauri-Duch, et al., 200630. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 4. K/min, 280. C @ 10. min
CapillaryDB-51473.Askari and Sefidkon, 200530. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 210. C
CapillaryDB-11470.Palá-Paúl, Pérez-Alonso, et al., 200550. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C
CapillaryCP Sil 5 CB1478.Rohloff and Bones, 200530. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C
CapillaryCP Sil 5 CB1478.Rohloff and Bones, 200530. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C
CapillaryHP-51466.Utsunomia, Kawata, et al., 200530. m/0.32 mm/0.25 μm, Helium, 4. K/min, 300. C @ 5. min; Tstart: 40. C
CapillaryHP-51477.Utsunomia, Kawata, et al., 200530. m/0.32 mm/0.25 μm, Helium, 4. K/min, 300. C @ 5. min; Tstart: 40. C
CapillaryHP-5MS1482.Li and Jiang, 200430. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min, 230. C @ 10. min
CapillaryDB-5MS1477.paz Lima, Silva, et al., 200430. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51474.Mookdasanit, Tamura, et al., 2003Helium, 2. K/min, 210. C @ 60. min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 70. C
CapillaryDB-51477.da Silva, Luz, et al., 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51475.Bos, Koulman, et al., 200230. m/0.249 mm/0.25 μm, He, 3. K/min, 300. C @ 5. min; Tstart: 60. C
CapillaryDB-51486.Krauze-Baranowska, Mardarowicz, et al., 200230. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 4. K/min, 280. C @ 15. min
CapillaryDB-51475.Zoghbi, Andrade, et al., 200230. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillarySPB-51478.Cornu, Carnat, et al., 2001He, 40. C @ 5. min, 3. K/min, 220. C @ 15. min; Column length: 60. m; Column diameter: 0.32 mm
CapillaryOV-1011495.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-11475.Koulman, 199925. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 290. C
CapillaryDB-5MS1481.Zoghbi, Andrade, et al., 199930. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryOV-1011495.Sugisawa, Yang, et al., 1989N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011495.Sugisawa, Yang, et al., 1989N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryDB-51476.Rodriques, Amorim, et al., 201330. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-11474.Xu, Tang, et al., 201030. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-51474.Riahi, Pourbasheer, et al., 2009Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryDB-51478.Yang, Yang, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 95 min) 3 0C/min -> 100 0C 4 0C/min -> 160 0C 5 0C/min -> 220 0C (15 min)
CapillaryCP Sil 8 CB1478.Judzentiene and Buzelyte, 200650. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min)
CapillaryDB-51475.Barros-Filho, Nunes, et al., 200430. m/0.25 mm/0.1 μm, He; Program: 35C => 4C/min => 180C => 20C/min => 280C
CapillaryHP-5MS1490.Demyttenaere, Moriña, et al., 200430. m/0.25 mm/0.25 μm, He; Program: 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min)
CapillaryHP-5MS1490.Demyttenaere, Moriña, et al., 200430. m/0.25 mm/0.25 μm, He; Program: 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min)
CapillaryOV-11467.Hafez and Abdel-Salam, 200430. m/0.25 mm/0.25 μm, He; Program: 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C
CapillaryMethyl Silicone1473.Demyttenaere, Morina, et al., 2003He; Program: 60 0C 3 0C/min -> 200 0C 15 0C/min -> 250 0C (5 min)
CapillaryHP-5MS1473.Demyttenaere, Moriña, et al., 200225. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 8C/min => 160C => 15C/min => 250C(3min)
CapillaryDB-51475.Andrade, Maia, et al., 200030. m/0.25 mm/0.25 μm, He; Program: 40C => 2C/min => 60C => 4C/min => 260C
CapillaryCP Sil 5 CB1501.Phan, Van, et al., 1998N2; Column length: 25. m; Program: not specified
CapillaryDB-51481.Jelen H.H., Mirocha C.J., et al., 199530. m/0.25 mm/0.25 μm; Program: 35C(1min) => 5C/min => 230C => 20C/min => 280C

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryTC-FFAP1723.Kurose, Okamura, et al., 2007He, 3. K/min, 220. C @ 30. min; Column diameter: 0.25 mm; Phase thickness: 0.25 μm; Tstart: 60. C
CapillaryCP-Wax 52CB1701.Rohloff and Bones, 200530. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C
CapillaryCP-Wax 52CB1701.Rohloff and Bones, 200530. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C
CapillaryRTX-Wax1755.Galindo-Cuspinera, Lubran, et al., 200260. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min, 180. C @ 20. min
CapillaryDB-Wax1702.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP Innowax FSP1726.Wedge, Klun, et al., 200960. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min)
CapillaryCarbowax 20M1737.Vinogradov, 2004Program: not specified
CapillaryInnowax1724.Tunaher, Kirimer, et al., 200360. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min)

References

Go To: Top, 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]

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]

Tzakou and Couladis, 2001
Tzakou, O.; Couladis, M., The essential oil of Micromeria graeca (L.) Bentham et Reichenb. growing in Greece, Flavour Fragr. J., 2001, 16, 2, 107-109, https://doi.org/10.1002/ffj.955 . [all data]

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Padrayuttawat, A.; Tamura, H.; Yamao, M., A split injection system for the analysis of purge and trap headspace of the volatile components in Citrus sudachi, J. Hi. Res. Chromatogr., 1996, 19, 6, 365-369, https://doi.org/10.1002/jhrc.1240190613 . [all data]

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Tuberoso, C.I.G.; Kowalczyk, A.; Coroneo, V.; Russo, M.T.; Dessì, S.; Cabras, P., Chemical Composition and Antioxidant, Antimicrobial, and Antifungal Activities of the Essential Oil of Achillea ligustica All., J. Agric. Food Chem., 2005, 53, 26, 10148-10153, https://doi.org/10.1021/jf0518913 . [all data]

El-Shazly, Dorai, et al., 2002
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Andersen, N.H.; Bissonette, P.; Liu, C.-B.; Shunk, B.; Ohta, Y.; Tseng, C.-L.W.; Moore, A.; Huneck, S., Sesquiterpenes of nine European liverworts from the genera, Anastrepta, Bazzania, Jungermannia, Lepidozia, and Scapania, Phytochemistry, 1977, 16, 11, 1731-1751, https://doi.org/10.1016/0031-9422(71)85081-1 . [all data]

Melo, Corrêa, et al., 2007
Melo, R.M.; Corrêa, V.F.S.; Amorim, A.C.L.; Miranda, A.L.P.; Rezende, C.M., Identification of Impact Aroma Compounds in Eugenia uniflora L. (Brazilian Pitanga) Leaf Essential Oil, J. Braz. Chem. Soc., 2007, 18, 1, 179-183, https://doi.org/10.1590/S0103-50532007000100020 . [all data]

Liu J.M., Nan P., et al., 2006
Liu J.M.; Nan P.; Tsering Q.; Tsering T.; Bai Z.K.; Wang L.; Liu Z.J.; Zhong Y., Volatile constituents of the leaves and flowers of Salvia przewalskii Maxim. from Tibet, Flavour Fragr. J., 2006, 21, 3, 435-438, https://doi.org/10.1002/ffj.1607 . [all data]

Silva-Brandão, Solferini, et al., 2006
Silva-Brandão, K.L.; Solferini, V.N.; Trigo, J.R., Chemical and phylogenetic relationships among Aristolochia L. (Aristolochiaceae) from southeastern Brazil, Biochem. Syst. Ecol., 2006, 34, 4, 291-302, https://doi.org/10.1016/j.bse.2005.10.011 . [all data]

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Bader, Caponi, et al., 2003
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Nath, S.C.; Sarma, K.K.; Vajezikova, I.; Leclercq, P.A., Comparison of volatile inflorescence oils and taxonomy of certain Cymbopogon taxa described as Cymbopogon flexuosus (Nees ex Steud.) Wats., Biochem. Syst. Ecol., 2002, 30, 2, 151-162, https://doi.org/10.1016/S0305-1978(01)00066-7 . [all data]

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Suliman F.E.O., Fatope M.O., et al., 2006
Suliman F.E.O.; Fatope M.O.; Al-Saidi S.H.; Al-Kindy S.M.Z.; Marwah R.G., Composition and antimicrobial activity of the essential oil of Pluchea arabica from Oman, Flavour Fragr. J., 2006, 21, 3, 469-471, https://doi.org/10.1002/ffj.1616 . [all data]

Chagonda, Makanda, et al., 2000
Chagonda, L.S.; Makanda, C.D.; Chalchat, J.-C., The essential oils of Ocimum canum Sims (basilic camphor) and Ocimum urticifolia Roth from Zimbabwe, Flavour Fragr. J., 2000, 15, 1, 23-26, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<23::AID-FFJ866>3.0.CO;2-W . [all data]

Rodriques, Amorim, et al., 2013
Rodriques, K.A. da.F.; Amorim, L.V.; de Oliveira, J.M.G.; Dias, C.N.; Moraes, D.F.C.; Andrade, E.H. deA.; Maia, J.G.S.; Carneiro, S.M.P.; Carvalho, F.A. deA., Eugenia uniflora L. essential oil as a potential anti-Leishmania agent: effect on Leishmania amazonensis and possible mechanism of action, Evidence-Based Complementary and Alternative Medicine, 2013, 2013, 1-10, https://doi.org/10.1155/2013/279726 . [all data]

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Cui, J.; Yang, X.; Dong, A.-J.; Cheng, D.-Y.; Wang, J.; Zhao, H.-T.; Xu, R.-B.; Wang, P.; Li, W.-J., Chemical composition and antioxidant activity of Wuphorbia fischeriana essential oil from China, J. Med. Plants Res., 2011, 5, 19, 4894-4798. [all data]

Silva, Pott, et al., 2010
Silva, D.B.; Pott, A.; Oliveira, D.C.R., Analyses of the headspace volatile constituents of aerial parts (leaves and stems), flowers and fruits of Bidens gardneri Bak. and Bidens sulphurea (Cav.) Sch. Bip. using solid-phase microextraction, J. Essen. Oil Res., 2010, 22, 6, 560-563, https://doi.org/10.1080/10412905.2010.9700400 . [all data]

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Notes

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