Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Benzenemethanol, «alpha»,«alpha»,4-trimethyl-


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

Go To: Top, 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

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20BP-20HP-WaxBP-20DB-Wax
Column length (m) 50.50.30.50.30.
Carrier gas  HeN2HeHe
Substrate      
Column diameter (mm) 0.220.220.250.220.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 60.60.60.60.50.
Tend (C) 220.220.220.220.220.
Heat rate (K/min) 2.2.5.2.4.
Initial hold (min)   10. 4.
Final hold (min) 20.20. 20.20.
I 1852.1802.1833.1848.1818.
ReferenceBlanc, Bradesi, et al., 2006Boti, Bighelli, et al., 2006Flamini, Tebano, et al., 2006Gonny, Cavaleiro, et al., 2006Osorio, Alarcon, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10Supelcowax-10DB-WaxRTX-Wax
Column length (m) 60.30.30.30.60.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.20.20.250.22
Phase thickness (mum) 0.250.20.20.250.25
Tstart (C) 35.70.70.40.60.
Tend (C) 220.220.220.240.220.
Heat rate (K/min) 3.3.3.6.2.
Initial hold (min)    10. 
Final hold (min)  15.15.25.20.
I 1850.1845.1845.1824.1817.
ReferencePala-Paul, Copeland, et al., 2006Pinto, Pina-Vaz, et al., 2006Salgueiro L.R., Pinto E., et al., 2006Varming, Andersen, et al., 2006Cozzani, Muselli, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase PEGCarbowax 20MDB-WaxSupelcowax-10RTX-Wax
Column length (m) 30.60.60.30.30.
Carrier gas N2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.20.25
Phase thickness (mum) 0.250.250.250.20.25
Tstart (C) 50.45.32.70.45.
Tend (C) 220.250.220.220.240.
Heat rate (K/min) 2.2.3.3.3.
Initial hold (min) 3.0.17  6.
Final hold (min) 15.  15.10.
I 1823.1818.1851.1845.1828.
ReferenceDob, Berramdane, et al., 2005Verzera, Campisi, et al., 2005Brophy, Goldsack, et al., 2004Cavaleiro, Salgueiro, et al., 2004Dugo, Mondello, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-WaxHP-WaxBP-20BP-20DB-Wax
Column length (m) 30.30.50.50.30.
Carrier gas N2N2 HeHe
Substrate      
Column diameter (mm) 0.250.250.220.220.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 60.60.60.60.40.
Tend (C) 240.240.220.220.200.
Heat rate (K/min) 3.3.2.2.4.
Initial hold (min)     5.
Final hold (min)   20.20.20.
I 1845.1845.1854.1826.1838.
ReferenceFlamini, Cioni, et al., 2004Flamini, Cioni, et al., 2004Gonny, Bradesi, et al., 2004Tam, Thuam, et al., 2004Yu, Kim, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-WaxRTX-WaxRTX-WaxRTX-WaxAT-Wax
Column length (m) 30.60.30.30.60.
Carrier gas N2HeHeHeHe
Substrate      
Column diameter (mm) 0.250.220.250.250.32
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 60.60.45.45.65.
Tend (C) 220.230.250.250.250.
Heat rate (K/min) 5.2.3.3.2.
Initial hold (min) 10. 6.6.10.
Final hold (min)  45. 10.60.
I 1845.1825.1825.1821.1829.
ReferenceBader, Caponi, et al., 2003Cavalli, Tomi, et al., 2003Shellie, Marriott, et al., 2003Mondello, Zappia, et al., 2002Pino, Marbot, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBDB-WaxCP-Wax 52CBCarbowax 20MDB-Wax
Column length (m) 60.60.50.25.30.
Carrier gas HeHe H2 
Substrate      
Column diameter (mm) 0.250.530.320.250.32
Phase thickness (mum) 0.251.0 0.30.5
Tstart (C) 45.50.40.50.40.
Tend (C) 250.220.220.200.245.
Heat rate (K/min) 2.3.4.3.3.
Initial hold (min) 0.17 5.1.3.
Final hold (min)   30.20.20.
I 1818.1838.1839.1820.1809.
ReferenceVerzera, Campisi, et al., 2001Brophy, Goldsack, et al., 2000Chevance and Farmer, 1999Bicchi, Rubiolo, et al., 1998Ollé, Baumes, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxCarbowax 20MHP-20M
Column length (m) 30.25.60.50.50.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.20.25
Phase thickness (mum) 0.50.250.50.2 
Tstart (C) 40.50.50.30.60.
Tend (C) 245.240.225.170.190.
Heat rate (K/min) 3.4.2.4.3.
Initial hold (min) 3.3. 2. 
Final hold (min) 20. 20.20. 
I 1809.1820.1850.1849.1814.
ReferenceOllé, Baumes, et al., 1998Möllenbeck, König, et al., 1997Sagrero-Nieves, Bartley, et al., 1997Píry, Príbela, et al., 1995Chung, Eiserich, et al., 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-FFAPDB-WaxDB-WaxCarbowax 20MDB-Wax
Column length (m) 50.60.30.50.30.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum)  0.25  0.5
Tstart (C) 60.50.40.60.40.
Tend (C) 210.230.200.180.220.
Heat rate (K/min) 3.2.2.2.3.
Initial hold (min)  4.10.4. 
Final hold (min)  30.   
I 1887.1851.1843.1805.1850.
ReferenceChung, Eiserich, et al., 1993Shiratsuchi, Shimoda, et al., 1993Umano, Hagi, et al., 1992Kawakami, Sachs, et al., 1990Le Quere and Latrasse, 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase DB-WaxDB-Wax
Column length (m) 30.30.
Carrier gas HeHe
Substrate   
Column diameter (mm) 0.250.25
Phase thickness (mum) 0.250.25
Tstart (C) 50.50.
Tend (C) 250.250.
Heat rate (K/min) 4.4.
Initial hold (min) 3.3.
Final hold (min)   
I 1820.1820.
ReferenceFröhlich, Duque, et al., 1989Fröhlich, Duque, et al., 1989
Comment MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes

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

Blanc, Bradesi, et al., 2006
Blanc, M.-C.; Bradesi, P.; Goncalves, M.J.; Salgueiro, L.; Casanova, J., Essential oil of Dittrichia viscosa ssp. viscosa: analysis by 13C-NMR and antimicrobial activity, Flavour Fragr. J., 2006, 21, 2, 324-332, https://doi.org/10.1002/ffj.1605 . [all data]

Boti, Bighelli, et al., 2006
Boti, J.B.; Bighelli, A.; Cavaleiro, C.; Salgueiro, L.; Casanova, J., Chemical variability of Juniperus oxycedrus ssp. oxycedrus berry and leaf oils from Corsica, analysed by combination of GC, GC-MS and 13C-NMR, Flavour Fragr. J., 2006, 21, 2, 268-273, https://doi.org/10.1002/ffj.1579 . [all data]

Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A., A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey, Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3 . [all data]

Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J., Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR, Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527 . [all data]

Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C., Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.), J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c . [all data]

Pala-Paul, Copeland, et al., 2006
Pala-Paul, J.; Copeland, L.M.; Brophy, J.J.; Goldsack, R.J., Essential oil composition of two variants of Prostanthera lasianthos Labill. from Australia, Biochem. Syst. Ecol., 2006, 34, 1, 48-55, https://doi.org/10.1016/j.bse.2005.04.003 . [all data]

Pinto, Pina-Vaz, et al., 2006
Pinto, E.; Pina-Vaz, C.; Salgueiro, L.; Goncalves, M.J.; Costa-de-Oliveira, S.; Cavaleiro, C.; Palmeira, A.; Rodrigues, A.; Martinez-de-Oliveira, J., Antifuncal activity of the essential oil Thymus pulegioides on Candida, Aspergillus and dermatophyte species, Journal of Medical Microbiology, 2006, 55, 10, 1367-1373, https://doi.org/10.1099/jmm.0.46443-0 . [all data]

Salgueiro L.R., Pinto E., et al., 2006
Salgueiro L.R.; Pinto E.; Goncalves M.J.; Costa I.; Palmeira A.; Cavaleiro C.; Pina-Vaz C.; Rodrigues A.G.; Martinez-De-Oliveira J., Antifungal activity of the essential oil of Thymus capitellatus against Candida, Aspergillus and dermatophyte strains, Flavour Fragr. J., 2006, 21, 5, 749-753, https://doi.org/10.1002/ffj.1610 . [all data]

Varming, Andersen, et al., 2006
Varming, C.; Andersen, M.L.; Poll, L., Volatile Monoterpenes in Black Currant (Ribes nigrum L.) Juice: Effects of Heating and Enzymatic Treatment by «beta»-Glucosidase, J. Agric. Food Chem., 2006, 54, 6, 2298-2302, https://doi.org/10.1021/jf051938k . [all data]

Cozzani, Muselli, et al., 2005
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]

Dob, Berramdane, et al., 2005
Dob, T.; Berramdane, T.; Chelgoum, C., Chemical composition of essential oil of Pinus halepensis Miller growing in Algeria, C.R. Chim., 2005, 8, 11-12, 1939-1945, https://doi.org/10.1016/j.crci.2005.05.007 . [all data]

Verzera, Campisi, et al., 2005
Verzera, A.; Campisi, S.; Zappalá, M., SUPELCO. Using SPME-GC-MS to characterize volatile components of honey as indicators of botanical origin, 2005, retrieved from http://www.sigmaaldrich.com/Brands/SupelcoHome/TheReporter.html. [all data]

Brophy, Goldsack, et al., 2004
Brophy, J.J.; Goldsack, R.J.; O'Sullivan, W., Chemistry of the Australian gymnosperms. Part VII. The leaf oils of the genus Actinostrobus, Biochem. Syst. Ecol., 2004, 32, 10, 867-873, https://doi.org/10.1016/j.bse.2004.05.001 . [all data]

Cavaleiro, Salgueiro, et al., 2004
Cavaleiro, C.; Salgueiro, L.R.; Miguel, M.G.; da Cunha, A.P., Analysis by gas chromatography?mass spectrometry of the volatile components of Teucrium lusitanicum and Teucrium algarbiensis, J. Chromatogr. A, 2004, 1033, 1, 187-190, https://doi.org/10.1016/j.chroma.2004.01.005 . [all data]

Dugo, Mondello, et al., 2004
Dugo, P.; Mondello, L.; Zappia, G.; Bonaccorsi, I.; Cotroneo, A.; Russo, M.T., The composition of the volatile fraction and the enantiomeric distribution of five volatile components of faustrime oil (Monocitrus australatica x Fortunella sp. x Citrus aurantifolia), J. Essent. Oil Res., 2004, 16, 4, 328-333, https://doi.org/10.1080/10412905.2004.9698734 . [all data]

Flamini, Cioni, et al., 2004
Flamini, G.; Cioni, P.L.; Morelli, I.; Maccioni, S.; Baldini, R., Phytochemical typologies in some populations of Myrtus communis L. on Caprione Promontory (East Liguria, Italy), Food Chem., 2004, 85, 4, 599-604, https://doi.org/10.1016/j.foodchem.2003.08.005 . [all data]

Gonny, Bradesi, et al., 2004
Gonny, M.; Bradesi, P.; Casanova, J., Identification of the components of the essential oil from wild Corsican Daucus carota L. using 13C-NMR spectroscopy, Flavour Fragr. J., 2004, 19, 5, 424-433, https://doi.org/10.1002/ffj.1330 . [all data]

Tam, Thuam, et al., 2004
Tam, N.T.; Thuam, D.T.; Bighelli, A.; Castola, V.; Muselli, A.; Richomme, P.; Casanova, J., Baeckea frutescens leaf oil from Vietnam: composition and chemical variability, Flavour Fragr. J., 2004, 19, 3, 217-220, https://doi.org/10.1002/ffj.1281 . [all data]

Yu, Kim, et al., 2004
Yu, E.J.; Kim, T.H.; Kim, K.H.; Lee, H.J., Aroma-active compounds of Pinus densiflora (red pine) needles, Flavour Fragr. J., 2004, 19, 6, 532-537, https://doi.org/10.1002/ffj.1337 . [all data]

Bader, Caponi, et al., 2003
Bader, A.; Caponi, C.; Cioni, P.L.; Flamini, G.; Morelli, I., Acorenone in the essential oil of flowering aerial parts of Seseli tortuosum L., Flavour Fragr. J., 2003, 18, 1, 57-58, https://doi.org/10.1002/ffj.1154 . [all data]

Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J., Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar, Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263 . [all data]

Shellie, Marriott, et al., 2003
Shellie, R.; Marriott, P.; Zappia, G.; Mondello, L.; Dugo, G., Interactive use of linear retention indices on polar and apolar columns with an MS-Library for reliable characterization of Australian tea tree and other Melaleuca sp. oils, J. Essent. Oil Res., 2003, 15, 5, 305-312, https://doi.org/10.1080/10412905.2003.9698597 . [all data]

Mondello, Zappia, et al., 2002
Mondello, L.; Zappia, G.; Cotroneo, A.; Bonaccorsi, I.; Chowdhury, J.U.; Yusuf, M.; Dugo, G., Studies on the essential oil-bearing plants of Bangladesh. Part VIII. Composition of some Ocimum oils O. basilicum L. var. purpurascens; O. sanctum L. green; O. sanctum L. purple; O. americanum L., citral type; O. americanum L., camphor type, Flavour Fragr. J., 2002, 17, 5, 335-340, https://doi.org/10.1002/ffj.1108 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i . [all data]

Verzera, Campisi, et al., 2001
Verzera, A.; Campisi, S.; Zappalá, M.; Bonaccorsi, I., SPME-GC-MS analysis of honey volatile components for the characterization of different floral origin, Am. Lab. Fairfield Conn., 2001, 33, 15, 18-21. [all data]

Brophy, Goldsack, et al., 2000
Brophy, J.J.; Goldsack, R.J.; Punruckvong, A.; Bean, A.R.; Forster, P.I.; Lepschi, B.J.; Doran, J.C.; Rozefelds, A.C., Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 7. Leptospermum petersonii, L. liversidgei and allies, Flavour Fragr. J., 2000, 15, 5, 342-351, https://doi.org/10.1002/1099-1026(200009/10)15:5<342::AID-FFJ924>3.0.CO;2-V . [all data]

Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J., Release of volatile odor compounds from full-fat and reduced-fat frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5161-5168, https://doi.org/10.1021/jf9905166 . [all data]

Bicchi, Rubiolo, et al., 1998
Bicchi, C.; Rubiolo, P.; Marschall, H.; Weyerstahl, P.; Laurent, R., Constituents of Artemisia roxburghiana Besser essential oil, Flavour Fragr. J., 1998, 13, 1, 40-46, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<40::AID-FFJ688>3.0.CO;2-Z . [all data]

Ollé, Baumes, et al., 1998
Ollé, D.; Baumes, R.L.; Bayonove, C.L.; Lozano, Y.F.; Sznaper, C.; Brillouet, J.-M., Comparison of free and glycosidically linked volatile components from polyembryonic and monoembryonic mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 1998, 46, 3, 1094-1100, https://doi.org/10.1021/jf9705781 . [all data]

Möllenbeck, König, et al., 1997
Möllenbeck, S.; König, T.; Schreier, P.; Schwab, W.; Rajaonarivony, J.; Ranarivelo, L., Chemical composition and analyses of enantiomers of essential oils from Madagascar, Flavour Fragr. J., 1997, 12, 2, 63-69, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<63::AID-FFJ614>3.0.CO;2-Z . [all data]

Sagrero-Nieves, Bartley, et al., 1997
Sagrero-Nieves, L.; Bartley, J.P.; Griselda Espinosa, B.; Dominguez, X.A.; Julia Verde S., Essential oil composition of Aristolochia brevipes Benth., Flavour Fragr. J., 1997, 12, 6, 401-403, https://doi.org/10.1002/(SICI)1099-1026(199711/12)12:6<401::AID-FFJ673>3.0.CO;2-D . [all data]

Píry, Príbela, et al., 1995
Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P., Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods, Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7 . [all data]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb), J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033 . [all data]

Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y., Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1, J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027 . [all data]

Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.), J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014 . [all data]

Kawakami, Sachs, et al., 1990
Kawakami, M.; Sachs, R.M.; Shibamoto, T., Volatile constituents of essential oils obtained from newly developed tea tree (Melaleuca alternifolia) clones, J. Agric. Food Chem., 1990, 38, 8, 1657-1661, https://doi.org/10.1021/jf00098a007 . [all data]

Le Quere and Latrasse, 1990
Le Quere, J.-L.; Latrasse, A., Composition of the Essential Oils of Blackcurrant Buds (Ribes nigrum L.), J. Agric. Food Chem., 1990, 38, 1, 3-10, https://doi.org/10.1021/jf00091a001 . [all data]

Fröhlich, Duque, et al., 1989
Fröhlich, O.; Duque, C.; Schreier, P., Volatile constituents of curuba (Passiflora mollissima) fruit, J. Agric. Food Chem., 1989, 37, 2, 421-425, https://doi.org/10.1021/jf00086a033 . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References