Methyl salicylate

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Normal alkane RI, polar column, temperature ramp

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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

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPVF-Wax MSDB-WaxCP Wax 52 CBCP Wax 52 CB
Column length (m) 30.60.30.30.30.
Carrier gas NitrogenHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.250.250.320.32
Phase thickness (μm) 0.500.250.250.500.50
Tstart (C) 35.60.40.40.40.
Tend (C) 250.220.210.230.230.
Heat rate (K/min) 4.3.3.4.4.
Initial hold (min) 5.5. 2.2.
Final hold (min) 45.25. 15.15.
I 1801.1770.1775.1775.1775.
ReferenceBudryn, Nebesny, et al., 2011Duarte, Dias, et al., 2010Kumazawa, Sakai, et al., 2010Birtic, Ginies, et al., 2009Birtic, Ginies, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SupelcowaxDB-WaxSupelcowax-10FFAPCP-Wax 52CB
Column length (m) 60.30.30.30.60.
Carrier gas NitrogenHeliumN2N2He
Substrate      
Column diameter (mm) 0.350.250.320.320.32
Phase thickness (μm) 0.250.250.250.50.5
Tstart (C) 60.40.50.35.40.
Tend (C) 230.230.200.320.220.
Heat rate (K/min) 4.3.1.4.4.
Initial hold (min)  2.1.5.8.
Final hold (min) 40.5. 45.20.
I 1789.1771.1740.1801.1787.
ReferenceGauvin-Bialecki and Marodon, 2009Zhao, Xu, et al., 2009Calyecac-cortero, Cibrian-Tovar, et al., 2007Nebesny, Budryn, et al., 2007Povolo, Contarini, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20InnowaxDB-WaxDB-WaxSupelcowax-10
Column length (m) 30.60.30.60.30.
Carrier gas HeHeHeNitrogenHe
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (μm) 0.250.250.250.500.25
Tstart (C) 70.60.50.35.50.
Tend (C) 220.240.180.235.220.
Heat rate (K/min) 4.5.3.2.4.
Initial hold (min) 4.  4.3.
Final hold (min) 5.30.40.30.30.
I 1775.1788.1762.1809.1767.
ReferenceRawat, Gulati, et al., 2007Joichi, Yomogida, et al., 2005Lee, Umano, et al., 2005Qian and Wang, 2005Wong and Tan, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase ZB-WaxPEG-20MSupelcowax-10DB-WaxDB-Wax
Column length (m) 30.30.30.30.60.
Carrier gas Helium HeHe 
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (μm) 0.25 0.250.25 
Tstart (C) 40.60.40.40.60.
Tend (C) 250.180.200.250.180.
Heat rate (K/min) 5.3.3.8.3.
Initial hold (min) 2.10.10.5.4.
Final hold (min) 5.30. 5. 
I 1747.1788.1760.1743.1794.
ReferenceN/AYao, Guo, et al., 2005Vichi, Pizzale, et al., 2003Fu, Yoon, et al., 2002Ito, Sugimoto, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBDB-WaxDB-WaxSupelcowax-10DB-Wax
Column length (m) 25.60.30.30.25.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.320.25
Phase thickness (μm)   0.250.250.25
Tstart (C) 60.60.50.70.50.
Tend (C) 230.220.220.240.200.
Heat rate (K/min) 6.2.4.5.4.
Initial hold (min) 2.4.3.8.4.
Final hold (min)    20.10.
I 1768.1805.1766.1749.1763.
ReferenceJayasekara, Stevenson, et al., 2002Jiang, Kojima, et al., 2001Weckerle, Bastl-Borrmann, et al., 2001Kim, Kim, et al., 2000Morales, Duque, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxPEG-20MInnowax
Column length (m) 25.25.25.60.60.
Carrier gas HeHeHeN2He
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.25 0.25
Tstart (C) 50.50.50.70.60.
Tend (C) 200.200.200.220.220.
Heat rate (K/min) 4.4.4.3. 
Initial hold (min) 4.4.4. 10.
Final hold (min) 10.10.10.  
I 1765.1765.1781.1788.1800.
ReferenceMorales, Duque, et al., 2000Morales, Duque, et al., 2000Morales, Duque, et al., 2000Hirose, Joichi, et al., 1999Kaya, Baser, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10DB-WaxDB-WaxPEG-20M
Column length (m) 60.30.30.60.60.
Carrier gas HeHeN2  
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.25 0.250.25 
Tstart (C) 60.60.45.50.70.
Tend (C) 240.240.220.230.220.
Heat rate (K/min) 4.4.3.2.3.
Initial hold (min)      
Final hold (min)      
I 1783.1804.1798.1745.1788.
ReferenceNgassoum, Yonkeu, et al., 1999Lamarque, Maestri, et al., 1998Molleken U., Sinnwell V., et al., 1998Ravichandran and Parthiban, 1998Awano, Ichikawa, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase TC-WaxSupelcowax-10Carbowax 20MDB-WaxPEG-20M
Column length (m) 60.60.60.60.50.
Carrier gas  He HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm)  0.25 0.250.15
Tstart (C) 80.40.60.50.60.
Tend (C) 240.200.180.180.180.
Heat rate (K/min) 3.3.2.2.52.
Initial hold (min) 5.3.4.5.4.
Final hold (min)  30.   
I 1792.1804.1727.1754.1727.
ReferenceShuichi, Masazumi, et al., 1996Wong and Lai, 1996Kawakami, Ganguly, et al., 1995Stashenko, Torres, et al., 1995Togari, Kobayashi, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MCarbowax 20MDB-WaxSupelcowax-10DB-Wax
Column length (m) 80.50.60.60.30.
Carrier gas  He HeHelium
Substrate      
Column diameter (mm) 0.20.250.320.320.32
Phase thickness (μm)      
Tstart (C) 70.60.50.60.40.
Tend (C) 170.180.230.220.200.
Heat rate (K/min) 2.2.4.2.6.
Initial hold (min)  4. 1.1.
Final hold (min)   10.  
I 1754.1739.1772.1813.1782.
ReferenceEgolf and Jurs, 1993Kawakami and Kobayashi, 1991Binder, Turner, et al., 1990Loughrin, Hamilton-Kemp, et al., 1990Andersen J.F., Mikolajczak K.L., et al., 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MCarbowax 20MCarbowax 20MCarbowax 20M
Column length (m) 150.150.150.150.
Carrier gas     
Substrate     
Column diameter (mm) 0.660.640.660.64
Phase thickness (μm)     
Tstart (C) 60.50.60.50.
Tend (C) 170.170.170.170.
Heat rate (K/min) 1.1.1.1.
Initial hold (min) 40. 40.30.
Final hold (min)  30.  
I 1730.1730.1730.1730.
ReferenceButtery, Ling, et al., 1987Buttery, Kamm, et al., 1984Buttery and Ling, 1984Buttery and Kamm, 1980
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane 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.

Budryn, Nebesny, et al., 2011
Budryn, G.; Nebesny, E.; Kula, J.; Majda, T.; Krysiak, W., HS-SPME/GC/MS Profiles of convectively and microwave roasted Ivory Coast Robusta coffee brews, Czech. J. Food Sci., 2011, 29, 2, 151-160. [all data]

Duarte, Dias, et al., 2010
Duarte, W.F.; Dias, D.R.; Oliveira, J.M.; Teixeira, J.A.; de Almeida e Silva, J.B.; Schwan, R.F., Characterization of different fruit wines made from cacao,cupuassu, gabiroba, jaboticaba and umbu, Food Sci. Technol., 2010, 43, 1564-1572. [all data]

Kumazawa, Sakai, et al., 2010
Kumazawa, K.; Sakai, N.; Amma, H.; Sakamoto, S.; Kodama, M.; Wada, Y.; Nishimura, O., Identification and formation of volatile components responsible for the characteristic aroma of Mat Rush (Igusa), Biosci. Biotechnol. Biochem., 2010, 74, 6, 1231-1236, https://doi.org/10.1271/bbb.100053 . [all data]

Birtic, Ginies, et al., 2009
Birtic, S.; Ginies, C.; Causse, M.; Renard, C.M.G.C.; Page, D., Changes in volatiles and glycosides during fruit maturartion of two contrasted tomato (Solanum lycopersicum) lines, J. Agric. Food Chem., 2009, 57, 2, 591-598, https://doi.org/10.1021/jf8023062 . [all data]

Gauvin-Bialecki and Marodon, 2009
Gauvin-Bialecki, A.; Marodon, C., Essential oil of Ayapana triplinervis from Reunion island: a good natural source of thymohydroquinone dimethyl ether, Biochem. Systematics Ecol., 2009, 36, 11, 853-858, https://doi.org/10.1016/j.bse.2008.09.006 . [all data]

Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W., Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry, J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x . [all data]

Calyecac-cortero, Cibrian-Tovar, et al., 2007
Calyecac-cortero, H.G.; Cibrian-Tovar, J.; Soto-Hernandez, M.; Garcia-Velasco, R., Aislamento e identificacion de volatiles de Physalis philadelphica LAM. (Isolation and identification of Physalis philadelphica LAM. volatiles), Agrociencia, 2007, 41, 337-346. [all data]

Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T., The effect of roasting method on headspace composition of robusta coffee bean aroma, Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0 . [all data]

Povolo, Contarini, et al., 2007
Povolo, M.; Contarini, G.; Mele, M.; Secchiari, P., Study on the influence of pasture on volatile fraction of Ewes' dairy products by solid-phase microextraction and gas chromatography-mass spectrometry, J. Dairy Sci., 2007, 90, 2, 556-569, https://doi.org/10.3168/jds.S0022-0302(07)71539-4 . [all data]

Rawat, Gulati, et al., 2007
Rawat, R.; Gulati, A.; Babu, G.D.K.; Acharya, R.; Kaul, V.K.; Singh, B., Characterization of volatile components of Kangra orthodox black tea by gas chromatography-mass spectrometry, Food Chem., 2007, 105, 1, 229-235, https://doi.org/10.1016/j.foodchem.2007.03.071 . [all data]

Joichi, Yomogida, et al., 2005
Joichi, A.; Yomogida, K.; Awano, K.; Ueda, Y., Volatile components of tea-scented modern roses and ancient Chinese roses, Flavour Fragr. J., 2005, 20, 2, 152-157, https://doi.org/10.1002/ffj.1388 . [all data]

Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G., Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties, Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056 . [all data]

Qian and Wang, 2005
Qian, M.C.; Wang, Y., Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries, J. Food. Sci., 2005, 70, 1, c13-c20, https://doi.org/10.1111/j.1365-2621.2005.tb09013.x . [all data]

Wong and Tan, 2005
Wong, K.C.; Tan, C.H., Volatile constituents of the flowers of Clerodendron fragrans (Vent.) R. Br., Flavour Fragr. J., 2005, 20, 4, 429-430, https://doi.org/10.1002/ffj.1457 . [all data]

Yao, Guo, et al., 2005
Yao, S.-S.; Guo, W.-F.; Lu, Y.; Jiang, Y.-X., Flavor Characteristics of Lapsang Souchong and Smoked Lapsang Souchong, a Special Chinese Black Tea with Pine Smoking Process, J. Agric. Food Chem., 2005, 53, 22, 8688-8693, https://doi.org/10.1021/jf058059i . [all data]

Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy, J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c . [all data]

Fu, Yoon, et al., 2002
Fu, S.-G.; Yoon, Y.; Basemore, R., Aroma-actie components in fermented bamboo shoots, J. Agric. Food Chem., 2002, 50, 3, 549-554, https://doi.org/10.1021/jf010883t . [all data]

Ito, Sugimoto, et al., 2002
Ito, Y.; Sugimoto, A.; Kakuda, T.; Kubota, K., Identification of potent odorants in Chinese jasmine green tea scented with flowers of Jasminum sambac, J. Agric. Food Chem., 2002, 50, 17, 4878-4884, https://doi.org/10.1021/jf020282h . [all data]

Jayasekara, Stevenson, et al., 2002
Jayasekara, T.K.; Stevenson, P.C.; Belmain, S.R.; Farman, D.I.; Hall, D.R., Identification of methyl salicylate as the principal volatile component in the methanol extract of root bark of Securidaca longepedunculata Fers, J. Mass Spectrom., 2002, 37, 6, 577-580, https://doi.org/10.1002/jms.314 . [all data]

Jiang, Kojima, et al., 2001
Jiang, L.; Kojima, H.; Yamada, K.; Kobayashi, A.; Kubota, K., Isolation of some glycosides as aroma precursors in young leaves of Japanese pepper (Xanthoxylum piperitum DC.), J. Agric. Food Chem., 2001, 49, 12, 5888-5894, https://doi.org/10.1021/jf0104937 . [all data]

Weckerle, Bastl-Borrmann, et al., 2001
Weckerle, B.; Bastl-Borrmann, R.; Richling, E.; Hör, K.; Ruff, C.; Schreier, P., Cactus pear (Opuntia ficus indica) flavour constituents - chiral evaluation (MDGC-MS) and isotope ratio (HRGC-IRMS) analysis, Flavour Fragr. J., 2001, 16, 5, 360-363, https://doi.org/10.1002/ffj.1012 . [all data]

Kim, Kim, et al., 2000
Kim, H.-J.; Kim, K.; Kim, N.-S.; Lee, D.-S., Determination of floral fragrances of Rosa hybrida using solid-phase trapping-solvent extraction and gas chromatography-mass spectrometry, J. Chromatogr. A, 2000, 902, 2, 389-404, https://doi.org/10.1016/S0021-9673(00)00863-3 . [all data]

Morales, Duque, et al., 2000
Morales, A.L.; Duque, C.; Bautista, E., Identification of free and glycosidically bound volatiles and glycosides by capillary GC and capillary GC-MS in Lulo del Chocó (Solanum topiro), J. Hi. Res. Chromatogr., 2000, 23, 5, 379-385, https://doi.org/10.1002/(SICI)1521-4168(20000501)23:5<379::AID-JHRC379>3.0.CO;2-B . [all data]

Hirose, Joichi, et al., 1999
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Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F., The essential oil of Acinos alpinus (L.) Moench growing in Turkey, Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q . [all data]

Ngassoum, Yonkeu, et al., 1999
Ngassoum, M.B.; Yonkeu, S.; Jirovetz, L.; Buchbauer, G.; Schmaus, G.; Hammerschmidt, F.-J.H., Chemical composition of essential oils of Lantana camara leaves and flowers from Cameroon and Madagascar, Flavour Fragr. J., 1999, 14, 4, 245-250, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<245::AID-FFJ819>3.0.CO;2-X . [all data]

Lamarque, Maestri, et al., 1998
Lamarque, A.L.; Maestri, D.M.; Zygadlo, J.A.; Grosso, N.R., Volatile constituents from flowers of Acacia caven (Mol.) Mol. var. caven, Acacia aroma Gill. ex Hook., Erythrina crista-galli L. and Calliandra tweedii Benth., Flavour Fragr. J., 1998, 13, 4, 266-268, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<266::AID-FFJ739>3.0.CO;2-5 . [all data]

Molleken U., Sinnwell V., et al., 1998
Molleken U.; Sinnwell V.; Kubeczka K.H., TThe essential oil composition of fruits from Smyrnium perfoliatum, Phytochemistry, 1998, 47, 6, 1079-1083, https://doi.org/10.1016/S0031-9422(98)80076-9 . [all data]

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Awano, Ichikawa, et al., 1997
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Shuichi, Masazumi, et al., 1996
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Wong and Lai, 1996
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Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A., Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma, J. Agric. Food Chem., 1995, 43, 1, 200-207, https://doi.org/10.1021/jf00049a037 . [all data]

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]

Togari, Kobayashi, et al., 1995
Togari, N.; Kobayashi, A.; Aishima, T., Pattern recognition applied to gas chromatographic profiles of volatile components in three tea categories, Food Res. Int., 1995, 28, 5, 495-502, https://doi.org/10.1016/0963-9969(95)00029-1 . [all data]

Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C., Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds, Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027 . [all data]

Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A., Volatitle constituents of greem mate and roasted mate, J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016 . [all data]

Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A., Volatile components of purple starthistle, J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030 . [all data]

Loughrin, Hamilton-Kemp, et al., 1990
Loughrin, J.H.; Hamilton-Kemp, T.R.; Andersen, R.A.; Hildebrand, D.F., Headspace compounds from flowers of Nicotiana tabacum and related species, J. Agric. Food Chem., 1990, 38, 2, 455-460, https://doi.org/10.1021/jf00092a027 . [all data]

Andersen J.F., Mikolajczak K.L., et al., 1987
Andersen J.F.; Mikolajczak K.L.; Reed D.K., Analysis of peach bark volatiles and their electroantennogram activity with lesser pechtree borer, Synanthedon pictipes (Grote and Robinson), J. Chem. Ecol., 1987, 13, 11, 2103-2114, https://doi.org/10.1007/BF01012874 . [all data]

Buttery, Ling, et al., 1987
Buttery, R.G.; Ling, L.C.; Light, D.M., Tomato leaf volatile aroma components, J. Agric. Food Chem., 1987, 35, 6, 1039-1042, https://doi.org/10.1021/jf00078a043 . [all data]

Buttery, Kamm, et al., 1984
Buttery, R.G.; Kamm, J.A.; Ling, L.C., Volatile components of red clover leaves, flowers, and seed pods: possible insect attractants, J. Agric. Food Chem., 1984, 32, 2, 254-256, https://doi.org/10.1021/jf00122a019 . [all data]

Buttery and Ling, 1984
Buttery, R.G.; Ling, L.C., Corn leaf volatiles: identification using Tenax trapping for possible insect attractants, J. Agric. Food Chem., 1984, 32, 5, 1104-1106, https://doi.org/10.1021/jf00125a044 . [all data]

Buttery and Kamm, 1980
Buttery, R.G.; Kamm, J.A., Volatile components of alfalfa: possible insect host plant attractants, J. Agric. Food Chem., 1980, 28, 5, 978-981, https://doi.org/10.1021/jf60231a014 . [all data]


Notes

Go To: Top, Normal alkane RI, polar column, temperature ramp, References