Bicyclo[3.1.0]hexan-2-one, 5-(1-methylethyl)-


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

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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, 2010
NIST MS number 384136

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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-51158.Lucero, Fredrickson, et al., 200630. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C
CapillaryDB-51156.Adams and Nguyen, 200530. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillarySE-541156.Adams, 200030. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryDB-51156.Adams, 2000, 230. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillarySE-541156.Adams, 2000, 330. m/0.26 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryDB-51156.Adams, 2000, 430. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryDB-51156.Adams, 199930. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS1155.Tuberoso, Kowalczyk, et al., 200530. m/0.25 mm/0.25 μm, He; Program: 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min)
CapillaryOV-11151.El-Shazly, Dorai, et al., 200215. m/0.317 mm/0.25 μm, He; Program: 50C(4min) => (4C/min) => 90C => (10C/min)=300C(10min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51147.Dob, Dahmane, et al., 200630. m/0.32 mm/0.25 μm, N2, 60. C @ 3. min, 3. K/min, 240. C @ 5. min
CapillaryHP-5MS1142.Kallio, Jussila, et al., 200620. m/0.25 mm/0.25 μm, 60. C @ 4. min, 5. K/min, 240. C @ 15. min
CapillaryRTX-11132.Cozzani, Muselli, et al., 200560. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillarySPB-11126.Antunes, Sevinate-Pinto, et al., 200430. m/0.25 mm/0.25 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C
CapillaryRTX-51160.Shellie, Mondello, et al., 200230. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C
CapillaryRTX-51165.Shellie, Mondello, et al., 200230. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryBPX-51179.Cardeal, da Silva, et al., 200630. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-Wax1606.Cozzani, Muselli, et al., 200560. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-Wax1683.Njoroge, Koaze, et al., 200560. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryCP-Wax 52CB1675.Chyau, Mau, et al., 199650. m/0.23 mm/0.12 μm, H2, 50. C @ 10. min, 1.5 K/min, 200. C @ 10. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1154.Lazarevic, Radulovic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 5. K/min; Tstart: 70. C; Tend: 290. C
CapillaryHP-5 MS1160.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryDB-51156.Bos, Woerdenbag, et al., 200730. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51156.Elfami, Bos, et al., 200730. m/0.26 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 290. C
CapillaryHP-5 MS1159.Vagionas, Graikou, et al., 200730. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryDB-51156.Elfami, Komar, et al., 200630. m/0.26 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 290. C
CapillaryHP-51159.Figuérédo, Cabassu, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 300. C @ 5. min
CapillaryDB-51156.Bos, Stojanova, et al., 200530. m/0.249 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 290. C
CapillaryHP-51153.Duarte, Figueira, et al., 200525. m/0.2 mm/0.33 μm, He, 3. K/min, 240. C @ 7. min; Tstart: 60. C
CapillaryDB-51156.Özel, Gögüs, et al., 200530. m/0.32 mm/0.25 μm, He, 40. C @ 0.5 min, 5. K/min, 250. C @ 2. min
CapillaryDB-11147.Rasooli and Owlia, 200560. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillarySE-541153.Kilic, Hafizoglu, et al., 200430. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 2. K/min; Tend: 260. C
CapillaryDB-11147.Rasooli and Razzaghi Abyaneh, 200460. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryHP-51154.Ghannadi and Zolfaghari, 200330. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C
CapillaryDB-51153.Masotti, Juteau, et al., 200350. m/0.2 mm/0.25 μm, He, 50. C @ 2. min, 3. K/min; Tend: 220. C
CapillaryDB-11143.Perez-Alonso, Velasco-Negueruela, et al., 200350. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C
CapillaryDB-51158.Pino, Marbot, et al., 200330. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 4. K/min, 280. C @ 40. min
CapillaryHP-51158.Gallori, Flamini, et al., 200130. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillarySPB-51187.Doneanu and Anitescu, 199850. m/0.32 mm/0.25 μm, He, 3. K/min, 240. C @ 20. min; Tstart: 60. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11114.Albano, Lima, et al., 201230. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
CapillaryHP-5 MS1160.Chu, Liu, et al., 201130. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (1 min) 10 0C -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min)
CapillaryDB-51156.Nezhadali and Parsa, 201030. m/0.20 mm/0.32 μm, Helium; Program: 60 0C (1 min) 3 0C/min -> 140 0C 50 0C/min -> 250 0C (3 min)
CapillarySLB-5 MS1157.Costa, De Fina, et al., 200830. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)
CapillarySLB-5 MS1154.Costa, De Fina, et al., 200830. m/0.25 mm/0.25 μm, Helium; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP Wax 52 CB1632.Chen, Chyau, et al., 200760. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryHP-Innowax1647.Hachicha, Skanji, et al., 200730. m/0.25 mm/0.25 μm, He, 2. K/min, 240. C @ 20. min; Tstart: 60. C
CapillaryDB-Wax1683.Njoroge, Koaze, et al., 2005, 260. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryInnowax1651.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

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP Innowax1652.Noorizadeh and Farmany, 201060. m/0.25 mm/0.33 μm; Program: not specified
CapillaryInnowax FSC1651.Polatoglu, Demirci, et al., 201060. 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
CapillaryInnowax FSC1651.Baser, Demirci, 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
CapillaryHP Innowax FSP1651.Tabanca N., Demirci B., et al., 200760. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1651.Kürkçüoglu, Hüsnü Can Baser, et al., 200660. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1651.Suleimenov Y.M., Atazhanova G.A., et al., 200660. m/0.25 mm/0.25 μm, He; Program: 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1651.Tabanca, Demirci, et al., 200660. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax1651.Demirci, Demirci, et al., 200560. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryInnowax FSC1651.Baser, Demirci, et al., 200360. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax1651.Viljoen, van Vuuren, et al., 200360. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1651.Hüsnü Can Baser, Demirci, et al., 200260. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax FSC1651.Tunalier, Kirimer, et al., 200260. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax1651.Baser, Demirci, et al., 200160. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C
CapillaryHP-Innowax1651.Gören, Demirci, et al., 200160. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryInnowax1651.Özcan, Akgül, et al., 200160. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C
CapillaryInnowax1651.Baser, Tabanca, et al., 200060. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C

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.

Lucero, Fredrickson, et al., 2006
Lucero, M.E.; Fredrickson, E.L.; Estell, R.E.; Morrison, A.A.; Richman, D.B., Volatile Composition of Gutierrezia sarothrae (Broom Snakeweed) as Determined by Steam Distillation and Solid Phase Microextraction, J. Essent. Oil Res., 2006, 18, 2, 121-125, https://doi.org/10.1080/10412905.2006.9699039 . [all data]

Adams and Nguyen, 2005
Adams, R.P.; Nguyen, S., Infra-specific variation in Juniperus deppeana and F. Sperryi in the Davis Mountains of Texas: variation in leaf essential oils and random amplified polymorphic DNAS (RAPDS), Phytologia, 2005, 87, 2, 96-108. [all data]

Adams, 2000
Adams, R.P., Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting, Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2 . [all data]

Adams, 2000, 2
Adams, R.P., Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7 . [all data]

Adams, 2000, 3
Adams, R.P., Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4 . [all data]

Adams, 2000, 4
Adams, R.P., The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3 . [all data]

Adams, 1999
Adams, R.P., Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting, Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2 . [all data]

Tuberoso, Kowalczyk, et al., 2005
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
El-Shazly, A.; Dorai, G.; Wink, M., Chemical composition and biological activity of the essential oils of Senecio aegyptus var. discoideus Boiss., Z. Naturforsch., 2002, 57c, 434-439. [all data]

Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Chelghoum, C., Essential oil composition of Juniperus oxycedrus growing in Algeria, Pharm. Biol., 2006, 44, 1, 1-6, https://doi.org/10.1080/13880200500530922 . [all data]

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Kallio, M.; Jussila, M.; Rissanen, T.; Anttila, P.; Hartonen, K.; Reissell, A.; Vreuls, R.; Adahchour, M.; Hyotylainen, T., Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry in the identification of organic compounds in atmospheric aerosols from coniferous forest, J. Chromatogr. A, 2006, 1125, 2, 234-243, https://doi.org/10.1016/j.chroma.2006.05.050 . [all data]

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Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J., Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica, Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463 . [all data]

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Cardeal, da Silva, et al., 2006
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Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M., Volatile Constituents of Redblush Grapefruit ( Citrus paradisi) and Pummelo ( Citrus grandis) Peel Essential Oils from Kenya, J. Agric. Food Chem., 2005, 53, 25, 9790-9794, https://doi.org/10.1021/jf051373s . [all data]

Chyau, Mau, et al., 1996
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Lazarevic, J.; Radulovic, N.; Palic, R.; Zlatkovic, B., Chemical Analusis of volatile constituents of Berula erecta (Hudson) Coville subsp. erecta (Apiaceae) from Serbia, J. Essential Oil. Res., 2010, 22, 3, 153-156, https://doi.org/10.1080/10412905.2010.9700290 . [all data]

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Ghannadi, A.; Zolfaghari, B., Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran, Flavour Fragr. J., 2003, 18, 3, 237-239, https://doi.org/10.1002/ffj.1215 . [all data]

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Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J., Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone, Biochem. Syst. Ecol., 2003, 31, 1, 77-84, https://doi.org/10.1016/S0305-1978(02)00082-0 . [all data]

Pino, Marbot, et al., 2003
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Notes

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