Phenol, 2-methoxy-4-(1-propenyl)-

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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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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).

Due to licensing restrictions, this spectrum cannot be downloaded.

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, 1990.
NIST MS number 113236

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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1436.3Zeng, Zhao, et al., 200730. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillaryCP Sil 8 CB1447.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryHP-5MS1459.4Zhao C.X., Li, et al., 200630. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillaryDB-51448.Nogueira, Bittrich, et al., 200130. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51397.Song, Sawamura, et al., 200030. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 230. C
CapillaryDB-5MS1428.Chassagne, Boulanger, et al., 199930. m/0.25 mm/0.25 μm, H2, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-11439.Stashenko, Prada, et al., 199660. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3.5 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-51403.Cardeal, da Silva, et al., 200630. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)
CapillaryLM-51414.8Ré-Poppi and Santiago-Silva, 200230. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min)
CapillarySE-521452.Mondello, Dugo, et al., 199560. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax Etr2350.Aubert C. and Pitrat M., 200630. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min, 250. C @ 15. min
CapillaryCP-Wax 52CB2336.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryStabilwax2319.Fang and Qian, 200530. m/0.32 mm/1. μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 10. min
CapillaryDB-Wax2356.Aubert, Ambid, et al., 200330. m/0.32 mm/0.5 μm, 40. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax2271.Choi and Sawamura, 200060. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax2330.Chassagne, Boulanger, et al., 199930. m/0.25 mm/0.25 μm, H2, 60. C @ 3. min, 2. K/min; Tend: 220. C
CapillaryDB-Wax2268.Stashenko, Prada, et al., 199660. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; Tend: 180. C
CapillaryCarbowax 20M2322.Mondello, Dugo, et al., 199560. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min
CapillaryCP-Wax 58CB2316.Pabst, Barron, et al., 199130. m/0.25 mm/0.22 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryCarbowax 20M2332.Chen, Kuo, et al., 1986He, 50. C @ 5. min, 2. K/min, 200. C @ 40. min; Column length: 50. m; Column diameter: 0.32 mm

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryBPX-51468.Bieri and Marriott, 200830. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 100. C; Tend: 999. C
CapillaryBPX-51465.Bieri and Marriott, 200830. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C
CapillaryBPX-51466.Bieri and Marriott, 200830. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C
CapillaryBPX-51468.Bieri and Marriott, 200830. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C
CapillaryBPX-51474.Bieri and Marriott, 200830. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C
CapillaryBPX-51471.Bieri and Marriott, 200830. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; Tstart: 60. C; Tend: 999. C
CapillaryEquity-5 MS1452.Mondello, Casilli, et al., 200830. m/0.25 mm/0.25 μm, Helium, 1.5 K/min; Tstart: 40. C; Tend: 260. C
CapillaryCol-Elite 5MS1404.Gudaityte and Venskutonis R.P., 200730. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 30. C; Tend: 246. C
CapillaryDB-51436.Xu, Fan, et al., 200730. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 5. min
CapillaryHP-11415.Castel, Fernandez, et al., 200650. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 120. min; Tstart: 60. C
CapillaryDB-51396.Choi, 200630. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryHP-5MS1457.Kim, Abd El-Aty, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 5. K/min, 280. C @ 10. min
CapillaryFSOT-RSL-2001405.Schmidt, Jirovetz, et al., 200630. m/0.32 mm/0.25 μm, Hydrogen, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryDB-11430.Choi, 200460. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-11403.Tu, Onishi, et al., 200360. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-51438.Kotseridis and Baumes, 200030. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillarySPB-11420.Choo, Wong, et al., 199950. m/0.2 mm/0.33 μm, 4. K/min; Tstart: 60. C; Tend: 260. C
CapillaryOV-1011435.Menon, Chacko, et al., 1999N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 80. C
CapillaryDB-11429.Stashenko, Torres, et al., 199560. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3.5 K/min; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryZB-1 MS1410.Al-Reza, Rahman, et al., 201030. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0C
CapillaryDB-11427.Delort and Jaquier, 200960. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)
CapillaryHP-51402.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; 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-51408.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: not specified
CapillaryHP-51451.Jordan, Martinez, et al., 200630. m/0.25 mm/0.25 μm, He; Program: 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C
CapillaryDB-51404.Massardo, Senatore, et al., 200630. m/0.25 mm/0.25 μm, He; Program: 40C (5min) => 2C/min => 250C(15min) => 5C/min => 270C (10min)
CapillarySE-541460.Buettner, 200430. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)
CapillaryHP-51451.Sotomayor, Martínez, et al., 200430. m/0.25 mm/0.25 μm, He; Program: 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C
CapillaryHP-51451.Jordán, Martínez, et al., 200330. m/0.25 mm/0.25 μm, He; Program: 60C (4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C
CapillaryHP-5MS1456.Ansorena, Gimeno, et al., 200130. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
CapillaryHP-51454.Ansorena, Astiasarán, et al., 200030. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
CapillaryDB-11422.Dorman, Figueiredo, et al., 200030. m/0.25 mm/0.25 μm, H2; Program: 40 0C 3 K/min -> 175 0C 15 K/min -> 240 0C (10 min)
CapillaryDB-51460.Garneau, Bouhajib, et al., 1994Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryOV-1011438.Shibamoto, 1987Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2266.Choi, 200660. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax Etr2279.Ibarz, Ferreira, et al., 200660. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 230. C @ 100. min
CapillaryDB-Wax2271.Choi, 200460. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryTC-Wax2326.Miyazawa and Okuno, 2003He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C
CapillaryDB-Wax2352.Kotseridis and Baumes, 200030. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillarySupelcowax-102338.Choo, Wong, et al., 199930. m/0.25 mm/0.25 μm, 4. K/min; Tstart: 60. C; Tend: 220. C
CapillaryCarbowax2269.Menon, Chacko, et al., 1999N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 80. C
CapillaryDB-Wax2308.Hatsuko, Kazuko, et al., 1992He, 60. C @ 10. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 240. C
CapillaryCarbowax 20M2304.Kawakami and Kobayashi, 1991He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax2330.Garneau, Bouhajib, et al., 1994Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryDB-Wax2299.Hatsuko, Kazuko, et al., 1992He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryCarbowax 20M2269.Shibamoto, 1987Program: not specified

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.

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]

Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [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]

Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J., The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae), Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2 . [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]

Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J., Enzymatic hydrolysis of edible Passiflora fruit glycosides, Food Chem., 1999, 66, 3, 281-288, https://doi.org/10.1016/S0308-8146(99)00044-8 . [all data]

Stashenko, Prada, et al., 1996
Stashenko, E.E.; Prada, N.Q.; Martínez, J.R., HRGC/FID/NP and HRGC/MSD study of Colombian Ylang-Ylang (Cananga odorata) oils obtained by different extraction techniques, J. Hi. Res. Chromatogr., 1996, 19, 6, 353-358, https://doi.org/10.1002/jhrc.1240190609 . [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

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Ré-Poppi, N.; Santiago-Silva, M.R., Identification of polycyclic aromatic hydrocarbons and methoxylated phenols in wood smoke emitted during production of charcoal, Chromatographia, 2002, 55, 7/8, 475-481, https://doi.org/10.1007/BF02492280 . [all data]

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Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]

Aubert C. and Pitrat M., 2006
Aubert C.; Pitrat M., Volatile compounds in the skin and pulp of Queen Anne's pocket melon, J. Agric. Food Chem., 2006, 54, 21, 8177-8182, https://doi.org/10.1021/jf061415s . [all data]

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Fang, Y.; Qian, M., Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA), Flavour Fragr. J., 2005, 20, 1, 22-29, https://doi.org/10.1002/ffj.1551 . [all data]

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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]

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Castel, Fernandez, et al., 2006
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Menon, Chacko, et al., 1999
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Stashenko, Torres, et al., 1995
Stashenko, E.E.; Torres, W.; Morales, J.R.M., A study of the compositional variation of the essential oil of ylang-ylang (Cananga odorata Hook Fil. et Thomson, forma genuina) during flower development, J. Hi. Res. Chromatogr., 1995, 18, 2, 101-104, https://doi.org/10.1002/jhrc.1240180206 . [all data]

Al-Reza, Rahman, et al., 2010
Al-Reza, S.M.; Rahman, A.; Lee, J.; Kang, S.C., Potential roles of essential oil and organic extracts of Zizyphus jujuba in inhibiting food-borne pathogens, Food Chem., 2010, 119, 3, 981-986, https://doi.org/10.1016/j.foodchem.2009.07.059 . [all data]

Delort and Jaquier, 2009
Delort, E.; Jaquier, A., Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract, Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922 . [all data]

Zhao, Li, et al., 2008
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Notes

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