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IR Spectrum

Go To: Top, Mass spectrum (electron ionization), 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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 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
State gas
Instrument HP-GC/MS/IRD

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


Mass spectrum (electron ionization)

Go To: Top, IR Spectrum, 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

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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 Japan AIST/NIMC Database- Spectrum MS-NW-8230
NIST MS number 227620

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, IR Spectrum, 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
CapillaryHP-5MS2817.Siani, Garrido, et al., 200430. m/0.32 mm/0.25 «mu»m, He, 70. C @ 5. min, 3. 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
CapillaryHP-5MS2831.1Zeng, Zhao, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillaryDB-5MS2815.4Jonsson, Johansson, et al., 200510. m/0.18 mm/0.18 «mu»m, 70. C @ 2. min, 40. K/min, 320. C @ 2. min
CapillaryDB-5MS2822.Steiner, Steidle, et al., 200530. m/0.32 mm/0.25 «mu»m, He, 2. K/min; Tstart: 150. C; Tend: 300. C
CapillaryUltra-12818.Richmond and Pombo-Villar, 199825. m/0.32 mm/0.52 «mu»m, He, 15. K/min, 320. C @ 10. min; Tstart: 35. C
CapillaryDB-12797.Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillaryDB-12803.Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillaryDB-12805.Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS2828.Tret'yakov, 200830. m/0.25 mm/0.25 «mu»m, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS2834.Radulovic, Blagojevic, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryHP-5MS2812.Ferhat, Tigrine-Kordjani, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min
CapillaryElite-5MS2829.Tava, Pecetti, et al., 200730. m/0.32 mm/0.5 «mu»m, He, 40. C @ 5. min, 4. K/min, 280. C @ 10. min
CapillaryHP-5MS2795.3Zizovic, Stamenic, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryHP-5MS2823.Kim, Abd El-Aty, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 5. K/min, 280. C @ 10. min
CapillaryDB-52838.Kowalski, 200530. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 2. min, 4. K/min; Tend: 280. C
CapillarySE-542790.Kilic, Hafizoglu, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 2. K/min; Tend: 260. C
CapillaryDB-52808.da Camara, Shepherd, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 290. C
CapillaryHP-5MS2839.Tkachev, Dobrotvorsky, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 40. C @ 1. min, 10. K/min, 280. C @ 20. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-52835.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-52829.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
CapillarySolgel-1 (SGE)2828.Grossi, Beker, et al., 200430. m/0.25 mm/0.25 «mu»m, He
CapillarySolgel-1 (SGE)2817.Grossi, Beker, et al., 200430. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C 30 K/min -> 130 0C 4 K/min -> 300 0C (10 min)
Capillary 2835.Cripps, 1995Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax3058.Dregus and Engel, 200360. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min
CapillaryTC-WAX FFS3062.Miyazawa, Maehara, et al., 2002He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C

Lee's RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-1462.1Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillaryDB-1463.0Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillaryDB-1463.1Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillaryCP Sil 8 CB454.3Aceves and Grimalt, 199225. m/0.25 mm/0.13 «mu»m, He, 6. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-5459.4Aceves and Grimalt, 199225. m/0.2 mm/0.11 «mu»m, He, 6. K/min; Tstart: 60. C; Tend: 280. C
CapillarySE-52454.9Aceves and Grimalt, 199225. m/0.32 mm/0.125 «mu»m, He, 6. K/min; Tstart: 60. C; Tend: 280. C
CapillarySE-54462.4Aceves and Grimalt, 199225. m/0.32 mm/0.125 «mu»m, He, 6. K/min; Tstart: 60. C; Tend: 280. C
CapillaryDB-5446.9Aceves and Grimalt, 199230. m/0.25 mm/0.2 «mu»m, He, 6. K/min; Tstart: 60. C; Tend: 280. C

References

Go To: Top, IR Spectrum, 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.

Siani, Garrido, et al., 2004
Siani, A.C.; Garrido, I.S.; Monteiro, S.S.; Carvalho, E.S.; Ramos, M.F.S., Protium icicariba as a source of volatile essences, Biochem. Syst. Ecol., 2004, 32, 5, 477-489, https://doi.org/10.1016/j.bse.2003.11.003 . [all data]

Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D., Comparative analysis of volatile components from Clematis species growing in China, Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022 . [all data]

Jonsson, Johansson, et al., 2005
Jonsson, P.; Johansson, A.I.; Gullberg, J.; Trygg, J.; Jiye, A.; Grung, B.; Marklund, S.; Sjöström, M.; Antti, H.; Moritz, T., High-throughput data analysis for detecting and identifying differences between samples in GC/MS-based metabolomic analyses, Anal. Chem., 2005, 77, 17, 5635-5642, https://doi.org/10.1021/ac050601e . [all data]

Steiner, Steidle, et al., 2005
Steiner, S.; Steidle, J.L.M.; Ruther, J., Female sex pheromone in immature insect males - a case of pre-emergence chemical mimicry?, Behavioral Ecology and Sociobiology, 2005, 58, 2, 111-120, https://doi.org/10.1007/s00265-005-0930-x . [all data]

Richmond and Pombo-Villar, 1998
Richmond, R.; Pombo-Villar, E., Short communication. Use of persistent trace gas chromatography artifacts for the calculation of pseudo-Sadtler retention indices, J. Chromatogr. A, 1998, 811, 1-2, 241-245, https://doi.org/10.1016/S0021-9673(98)00285-4 . [all data]

Johnson, Urso, et al., 1997
Johnson, C.I.; Urso, A.; Geleta, L., Broad spectrum analysis of municipal and industrial effluents discharged into the Peace, Athabasca and Slave river basins: characterization of effluent samples, 1994 - Volume 1 of 2, Northern River Basins Study Project Report No. 121, Norther River Basins Study, Edmonton, Alberta, 1997, 27. [all data]

Tret'yakov, 2008
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Radulovic, Blagojevic, et al., 2009
Radulovic, N.S.; Blagojevic, P.D.; Palic, R.M.; Zlatkovic, B.K.; Stevanovic, B.M., Volatiles from vegetative organs of the paleoendemic resurrection plants Ramonda serbica Panc. and Ramonda nathaliae Panc. at Petrov, J. Serb. Chem. Soc., 2009, 74, 1, 35-44, https://doi.org/10.2298/JSC0901035R . [all data]

Ferhat, Tigrine-Kordjani, et al., 2007
Ferhat, M.A.; Tigrine-Kordjani, N.; Chemat, S.; Meklati, B.Y.; Chemat, F., Rapid Extraction of Volatile Compounds Using a New Simultaneous Microwave Distillation: Solvent Extraction Device, Chromatographia, 2007, 65, 3-4, 217-222, https://doi.org/10.1365/s10337-006-0130-5 . [all data]

Tava, Pecetti, et al., 2007
Tava, A.; Pecetti, L.; Ricci, M.; Pagnotta, M.A.; Russi, L., Volatile compounds from leaves and flowers of Bituminaria bituminosa (L.) Stirt. (Fabaceae) from Italy, Flavour Fragr. J., 2007, 22, 5, 363-370, https://doi.org/10.1002/ffj.1806 . [all data]

Zizovic, Stamenic, et al., 2007
Zizovic, I.; Stamenic, M.; Ivanovic, J.; Orlovic, A.; Ristic, M.; Djordjevic, S.; Petrovic, S.D.; Skala, D., Supercritical carbon dioxide extraction of sesquiterpenes from valerian root, J. Supercrit. Fluids, 2007, 43, 2, 249-258, https://doi.org/10.1016/j.supflu.2007.05.007 . [all data]

Kim, Abd El-Aty, et al., 2006
Kim, M.R.; Abd El-Aty, A.M.; Kim, I.S.; Shim, J.H., Determination of volatile flavor components in danggui cultivars by solvent free injection and hydrodistillation followed by gas chromatographic-mass spectrometric analysis, J. Chromatogr. A, 2006, 1116, 1-2, 259-264, https://doi.org/10.1016/j.chroma.2006.03.060 . [all data]

Kowalski, 2005
Kowalski, R., Analysis of lipophylic fraction from leaves, inflorescences and rhizomes of Siphium perfoliatum L., Acta Soc. Botanicorum Poloniae, 2005, 74, 1, 5-10, https://doi.org/10.5586/asbp.2005.001 . [all data]

Kilic, Hafizoglu, et al., 2004
Kilic, A.; Hafizoglu, H.; Kollmannsberger, H.; Nitz, S., Volatile constituents and key odorants in leaves, buds, flowers, and fruits of Laurus nobilis L., J. Agric. Food Chem., 2004, 52, 6, 1601-1606, https://doi.org/10.1021/jf0306237 . [all data]

da Camara, Shepherd, et al., 2002
da Camara, C.A.G.; Shepherd, S.L.K.; Joaquim, D.R.G., Análise químnica da cultura de tecidos do híbrido Clusia paralicola X Clusia weddelliana, Revista Brasileira de Farmacognosia, 2002, 12, 26-28, https://doi.org/10.1590/S0102-695X2002000300013 . [all data]

Tkachev, Dobrotvorsky, et al., 2000
Tkachev, A.V.; Dobrotvorsky, A.K.; Vjalkov, A.I.; Morozov, S.V., Chemical composition of lipophylic compounds from the body surface of unfed adult Ixodes persulcatus ticks (Acari: Ixodidae), Experimental and Applied Acarology, 2000, 24, 2, 145-158, https://doi.org/10.1023/A:1006430323587 . [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]

Grossi, Beker, et al., 2004
Grossi, V.; Beker, B.; Geenevasen, J.A.J.; Schouten, S.; Raphel, D.; Fontaine, M.-F.; Sinninghe Damsté, J.S., C25 highly branched isoprenoid alkenes from the marine benthic diatom Pleurosigma strigosum, Phytochemistry, 2004, 65, 22, 3049-3055, https://doi.org/10.1016/j.phytochem.2004.09.002 . [all data]

Cripps, 1995
Cripps, G.C., Biogenic hydrocarbons in the particulate material of the water column of the Bellingshausen Sea, Antarctica, in the region of the marginal ice zone, Deep-Sea Res. II, 1995, 42, 4-5, 1123-1135, https://doi.org/10.1016/0967-0645(95)00075-2 . [all data]

Dregus and Engel, 2003
Dregus, M.; Engel, K.-H., Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks, J. Agric. Food Chem., 2003, 51, 22, 6530-6536, https://doi.org/10.1021/jf030399l . [all data]

Miyazawa, Maehara, et al., 2002
Miyazawa, M.; Maehara, T.; Kurose, K., Composition of the essential oil from the leaves of Eruca sativa, Flavour Fragr. J., 2002, 17, 3, 187-190, https://doi.org/10.1002/ffj.1079 . [all data]

Aceves and Grimalt, 1992
Aceves, M.; Grimalt, J.O., Gas chromatographic screening of organic compounds in urban aerosols. Selectivity effects in semi-polar columns, J. Chromatogr., 1992, 607, 2, 261-270, https://doi.org/10.1016/0021-9673(92)87084-L . [all data]


Notes

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