Isophytol


IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Owner SRD/NIST
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin EPA-IR VAPOR PHASE LIBRARY
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Gas Chromatography

Go To: Top, IR Spectrum, 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
CapillaryOV-101170.1942.Gribanova, Kharitonov, et al., 1990N2; Column length: 50. m; Column diameter: 0.26 mm
CapillaryOV-101170.1920.Gribanova, Kharitonov, et al., 1990N2; Column length: 50. m; Column diameter: 0.26 mm

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryBPX-51956.El-Ghorab, Mansour, et al., 200425. m/0.22 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-11944.Senatore and Rigano, 200130. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min

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

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Column type Active phase I Reference Comment
CapillaryHP-51949.Palic, Stojanovic, et al., 200230. m/0.25 mm/0.25 μm, He; Program: 50 C 20 C/min -> 70 C 9 C/min -> 280 C

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1947.Todua, 201130. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C
CapillaryDB-51949.Rout, Rao, et al., 200725. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 60. min; Tstart: 60. C
CapillaryDB-51949.Masoudi, Esmaeili, et al., 200650. m/0.2 mm/0.32 μm, N2, 60. C @ 3. min, 5. K/min, 220. C @ 5. min
CapillaryHP-5MS1948.6Zhao C.X., Li, et al., 200630. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillaryDB-51939.Senatore, Napolitano, et al., 200530. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min
CapillaryHP-5MS1939.Chorianopoulos, Kalpoutzakis, et al., 200430. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-51949.Javidnia, Miri, et al., 2004He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 260. C
CapillaryHP-51949.Bougatsos, Meyer, et al., 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-51949.Fokialakis, Melliou, et al., 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-11938.Senatore, Rigano, et al., 200330. m/0.25 mm/0.33 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min
CapillaryHP-51943.Fokialakis, Magiatis, et al., 200230. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min; Tend: 280. C
CapillaryHP-5MS1950.Skaltsa, Mavrommati, et al., 200130. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-51949.Lazari, Skaltsa, et al., 200030. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 280. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySE-521943.Bruni, Pellati, et al., 200530. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C(10min)
CapillaryHP-11956.Sing, Smadja, et al., 199250. m/0.32 mm/1.05 μm, He; Program: 20C(0.5min) => 60C => 4C/min => 250C

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

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Column type Active phase I Reference Comment
CapillarySupelcowax-102282.Sing, Smadja, et al., 199260. m/0.25 mm/0.25 μm, He; Program: 20C(0.5min) => 60C => 4C/min => 250C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1949.Miyazawa, Marumoto, et al., 201130. m/0.25 mm/0.25 μm, Helium, 4. K/min, 260. C @ 5. min; Tstart: 40. C
CapillaryRTX-11946.Dib, Djabou, et al., 201060. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryOV-11940.Hu, Liang, et al., 201030. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 2. min
CapillaryHP-51951.Monsef-Esfahani, Miri, et al., 201030. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryHP-5 MS1950.Radulovic, Blagojevic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryHP-51950.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; Tstart: 70. C; Tend: 290. C
CapillaryDB-11938.Xu, Tang, et al., 201030. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min
CapillaryHP-51954.Bousaada, Ammar, et al., 200830. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min
CapillaryHP-51945.Saidana, Mahjoub, et al., 200830. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min
CapillaryDB-51943.Miyazawa and Tamura, 200730. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-11922.Pala-Paul, Brophy, et al., 200750. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 95. C; Tend: 240. C
CapillaryElite-5MS1947.Tava, Pecetti, et al., 200730. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 280. C @ 10. min
CapillaryHP-5 MS1948.Vagionas, Graikou, et al., 200730. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-51950.Yassa and Akhani, 200730. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C
CapillaryDB-51945.Apel, Sobral, et al., 200630. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 300. C
CapillaryCP Sil 5 CB1932.Lis and Milczarek, 200630. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 50. C; Tend: 300. C
CapillaryDB-51945.Morteza-Semnani, Akbarzadeh, et al., 200630. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-51946.Morteza-Semnani K., Akbarzadeh M., et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 220. C
CapillaryDB-51944.Pino, Marbot, et al., 200630. m/0.25 mm/0.25 μm, Hydrogen, 70. C @ 4. min, 4. K/min; Tend: 280. C
CapillaryDB-51949.Pino, Marbot, et al., 200630. m/0.25 mm/0.25 μm, Hydrogen, 70. C @ 4. min, 4. K/min; Tend: 280. C
CapillaryDB-51950.Pino, Marbot, et al., 200630. m/0.25 mm/0.25 μm, Hydrogen, 70. C @ 4. min, 4. K/min; Tend: 280. C
CapillaryDB-51950.Senatore, Landolfi, et al., 200630. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min
CapillaryHP-51945.Wang, Kong, et al., 200625. m/0.32 mm/0.52 μm, H2, 50. C @ 5. min, 2.5 K/min; Tend: 280. C
CapillaryHP-51959.Wang, Yang, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
CapillaryHP-51944.Ferretti, Maggi, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 4. K/min, 30. C @ 15. min
CapillaryDB-51943.Morteza-Semnani, Akbarzadeh, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 220. C
CapillaryDB-51950.Senatore, Apostolides Arnold, et al., 200530. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min
CapillaryHP-51947.Utsunomia, Kawata, et al., 200530. m/0.32 mm/0.25 μm, Helium, 4. K/min, 300. C @ 5. min; Tstart: 40. C
CapillaryDB-51943.Tirillini, Pellegrino, et al., 200430. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 300. C
CapillaryCP Sil 5 CB1930.Mazloomifar, Saber-Tehrani, et al., 200325. m/0.25 mm/0.39 μm, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-51938.Senatore and Bruno, 200330. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min; Tend: 260. C
CapillaryHP-51948.Velickovic, Ristic, et al., 200325. m/0.32 mm/0.53 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 280. C
CapillaryBP-11940.Das, Ram, et al., 200225. m/0.50 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C
CapillaryDB-51948.Morteza-Semnani, Saeedi, et al., 200230. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 220. C
CapillaryOptima-11950.Brun, Bessière, et al., 200125. m/0.20 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; Tend: 250. C
CapillaryOptima-11950.de Beck, Bessière, et al., 200025. m/0.20 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillarySLB-5 MS1947.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySLB-5 MS1948.Mondello, 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-51944.Bi Kouame, Bedi, et al., 201030. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryRTX-11944.Dib, Djabou, et al., 201060. m/0.22 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-11939.Xu, Tang, et al., 201030. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5MS1950.Formisano, Mignola, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C
CapillaryCP Sil 8 CB1945.Mockute, Bernotiene, et al., 200750. m/0.32 mm/0.25 μm, He; Program: 60 0C (2 min) 5 0C/min -> 160 0C 5 0C/min -> 250 0C (10 min)
CapillaryHP-5MS1942.Moronkola, Ogunwande, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C
CapillaryHP-5MS1950.Formisano C., Senatore F., et al., 200630. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C
CapillaryCP Sil 8 CB1943.Judzentiene and Buzelyte, 200650. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min)
CapillaryHP-5MS1950.Senatore, Apostolides Arnold, et al., 200630. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C
CapillarySE-521943.Tognolini, Barocelli, et al., 200630. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillaryHP-51950.Senatore, Apostolides Arnold, et al., 200430. m/0.25 mm/0.25 μm; Program: 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C
CapillaryCP-Sil 8CB-MS1949.Mockute, Bernotiene, et al., 2003Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(1min) => 3C/min => 70C => 15C/min => 170C(8min) => 5C/min => 250C
CapillaryDB-51948.Morteza-Semnani and Vahedi, 2002Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryRTX-Wax2316.Dib, Djabou, et al., 201060. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryHP-Innowax2278.Bousaada, Ammar, et al., 200830. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min
CapillaryTC-Wax2286.Miyazawa and Tamura, 200760. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-Wax2327.Wei A. and Shibamoto T., 200760. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 3. K/min, 180. C @ 80. min
CapillaryHP Innowax FSP2299.Kaya, Baser, et al., 199960. m/0.25 mm/0.25 μm, He, 60. C @ 10. min, 220. C @ 10. min

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryInnowax FSC2296.Baser, Özek, et al., 200460. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC2296.Kivcak, Akay, et al., 200460. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC2296.Erdemoglu, Sener, et al., 200360. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC2296.Kamariah, Lim, et al., 199960. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C(20min)

References

Go To: Top, IR Spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gribanova, Kharitonov, et al., 1990
Gribanova, S.V.; Kharitonov, Yu.Ya.; Dzhabarov, D.N.; Rudenko, B.A.; Yanotovskii, M.T., Gas-chromatographic identification of impurities in intermediate products of the synthesis of vitamin E based on the additive scheme of calculation of retention indices, Zh. Anal. Khim., 1990, 45, 5, 1009-1016. [all data]

El-Ghorab, Mansour, et al., 2004
El-Ghorab, A.H.; Mansour, A.F.; El-massry, K.F., Effect of extraction methods on the chemical composition and antioxidant activity of Egyptian marjoram (Majorana hortensis Moench), Flavour Fragr. J., 2004, 19, 1, 54-61, https://doi.org/10.1002/ffj.1276 . [all data]

Senatore and Rigano, 2001
Senatore, F.; Rigano, D., Essential oil of two Lippia spp. (Verbenaceae) growing wild in Guatemala, Flavour Fragr. J., 2001, 16, 3, 169-171, https://doi.org/10.1002/ffj.972 . [all data]

Palic, Stojanovic, et al., 2002
Palic, R.; Stojanovic, G.; Alagic, S.; Nikolic M.; Lepojevic, Z., Chemical composition and antimicrobial activity of the essential oil and CO2 extracts of the oriental tobacco, Prilep, Flavour Fragr. J., 2002, 17, 5, 323-326, https://doi.org/10.1002/ffj.1084 . [all data]

Todua, 2011
Todua, N.G., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]

Rout, Rao, et al., 2007
Rout, P.K.; Rao, Y.R.; Sree., A.; Naik, S.N., Composition of essential oil, concrete, absolute, wax and headspace volatiles of Murrarya paniculata (Linn.) Jack flowers, Flavour Fragr. J., 2007, 22, 5, 352-357, https://doi.org/10.1002/ffj.1804 . [all data]

Masoudi, Esmaeili, et al., 2006
Masoudi, S.; Esmaeili, A.; Khalilzadeh, M.A.; Rustaiyan, A.; Moazami, N.; Akhgar, M.R.; Varavipoor, M., Volatile constituents of Dorema aucheri Boiss., Seseli libanotis (L.) W. D. Koch var. armeniacum bordz. and Conium maculatum L. three Umbelliferae herbs growing wild in Iran, Flavour Fragr. J., 2006, 21, 5, 801-804, https://doi.org/10.1002/ffj.1722 . [all data]

Zhao C.X., Li, et al., 2006
Zhao C.X.; Li, X.N.; Liang Y.Z.; Fang H.Z.; Huang L.F.; Guo F.Q., Comparative analysis of chemical components of essential oils from different samples of Rhododendron with the help of chemometrics methods, Chemom. Intell. Lab. Syst., 2006, 82, 1-2, 218-228, https://doi.org/10.1016/j.chemolab.2005.08.008 . [all data]

Senatore, Napolitano, et al., 2005
Senatore, F.; Napolitano, F.; Arnold, N.A.; Bruno, M.; Herz, W., Composition and antimicrobial activity of the essential oil of Achillea falcata L. (Asteraceae), Flavour Fragr. J., 2005, 20, 3, 291-294, https://doi.org/10.1002/ffj.1411 . [all data]

Chorianopoulos, Kalpoutzakis, et al., 2004
Chorianopoulos, N.; Kalpoutzakis, E.; Aligiannis, N.; Mitaku, S.; Nychas, G.-J.; Haroutounian, S.A., Essential oils of Satureja, Origanum, and Thymus species: chemical composition and antibacterial activities against foodborne pathogens, J. Agric. Food Chem., 2004, 52, 26, 8261-8267, https://doi.org/10.1021/jf049113i . [all data]

Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Kamalinejad, M.; Sarkarzadeh, H.; Jamalian, A., Chemical composition of the essential oils of Anthemis altissima L. grown in Iran, Flavour Fragr. J., 2004, 19, 3, 213-216, https://doi.org/10.1002/ffj.1277 . [all data]

Bougatsos, Meyer, et al., 2003
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Senatore, Rigano, et al., 2003
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Fokialakis, Magiatis, et al., 2002
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Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T., A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae), Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6 . [all data]

Lazari, Skaltsa, et al., 2000
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Bruni, Pellati, et al., 2005
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Notes

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