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Dodecanoic acid

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

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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 TR-5 MSSLB-5 MSSLB-5 MSRTX-5 MSVF-5
Column length (m) 15.30.30.15.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 mion) 15 0C/min -> 240 0C (10 min)not specifiednot specified35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min)50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min)
I 1587.1563.1565.1564.1569.
ReferenceKurashov, Krylova, et al., 2013Mondello, 2012Mondello, 2012Nadaf, Halimi, et al., 2012Shivashankar, Roy, et al., 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-5Siloxane, 5 % Ph HP-5 MSPolydimethyl siloxane, 5 % phenyl
Column length (m) 30.  30. 
Carrier gas Helium  Helium 
Substrate      
Column diameter (mm) 0.25  0.25 
Phase thickness (mum) 0.25  0.25 
Program not specifiednot specifiednot specified40 0C (5 min) 30 0C/min -> 60 0C 6 0C/min -> 230 0C (10 min)not specified
I 1566.1566.1556.1564.1566.
ReferenceShivashankar, Roy, et al., 2012VOC BinBase, 2012Brandi, Bar, et al., 2011Grzeszczuk, Wesolowska, et al., 2011Skogerson, Wohlgemuth, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase ZB-1 MSRTX-1HP-5 MSRTX-5 MSRTX-5 MS
Column length (m) 30.60.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.220.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0Cnot specified40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min)50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0Cnot specified
I 1570.1560.1568.1582.1580.
ReferenceAl-Reza, Rahman, et al., 2010Dib, Djabou, et al., 2010Mancini, Arnold, et al., 2009Mebazaa, Mahmoudi, et al., 2009Mebazaa, Mahmoudi, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-1DB-1HP-5HP-5
Column length (m) 50.25.30.50.30.
Carrier gas Helium HeHelium 
Substrate      
Column diameter (mm) 0.320.320.250.320.25
Phase thickness (mum) 1.050.170.251.050.25
Program not specifiednot specified45C => 3C/min => 175C => 15C/min => 300C (10min)40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)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)
I 1567.1553.1551.1557.1556.
ReferencePugliese, Sirtori, et al., 2009Wetwiayaklung, Thavanapong, et al., 2009Nogueira, Marcelo-Curto, et al., 2008Ventanas, Estevez, et al., 2008Zhao, Li, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5SPB-1HP-5DB-5SE-52
Column length (m) 30.30.25.30.30.
Carrier gas  HeliumHeliumHeliumHe
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.250.250.520.250.15
Program not specified35 0C (2 min) 1 0C/min -> 90 0C 3 0C/min -> 220 0Cnot specifiednot specified45C => 1C/min => 100C => 5C/min => 250C (10min)
I 1559.1556.1567.1574.1567.
ReferenceZhao, Li, et al., 2008Borse, Rao, et al., 2007Pavlovic, Petrovic, et al., 2007Pellicer, 2007Tognolini, Barocelli, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSDB-5Polydimethyl siloxane with 5 % Ph groupsSE-30BPX-5
Column length (m) 30.30.  60.
Carrier gas HeHe  He
Substrate      
Column diameter (mm) 0.250.25  0.32
Phase thickness (mum) 0.250.25  1.
Program 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min)40C(1min) => 9C/min => 130C => 2C/min => 230Cnot specifiednot specified40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
I 1589.1572.1568.1600.1559.
ReferenceAlissandrakis, Kibaris, et al., 2005Hamm, Bleton, et al., 2005Pino, Marbot, et al., 2005Vinogradov, 2004Machiels, van Ruth, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5MSHP-1HP-5HP-5
Column length (m)  30.50.30.50.
Carrier gas  HeN2HeHe
Substrate      
Column diameter (mm)  0.250.320.250.32
Phase thickness (mum)  0.250.520.250.52
Program not specified40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)40C => 2C/min => 130C => 4C/min => 250C40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)
I 1567.1573.1580.1572.1558.
ReferenceMorteza-Semnani and Vahedi, 2002Ansorena, Gimeno, et al., 2001Teai, Claude-Lafontaine, et al., 2001Ansorena, Astiasarán, et al., 2000Timón, Ventanas, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryOther
Active phase CP Sil 5 CBSE-54SE-54Methyl Silicone
Column length (m) 25.35.35. 
Carrier gas N2HeHe 
Substrate     
Column diameter (mm)  0.250.25 
Phase thickness (mum) 0.39   
Program not specifiednot specifiednot specifiednot specified
I 1543.1587.1587.1600.
ReferenceWeyerstahl, Marschall, et al., 1998Fagan, Kepner, et al., 1982Fagan, Kepner, et al., 1982Ardrey and Moffat, 1981
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

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

Kurashov, Krylova, et al., 2013
Kurashov, E.A.; Krylova, Yu.V.; Mitrukova, G.G., Variations in component composition of essential oil of Potamogeton pusillus (Potamogetonaceae) dirong vegetation, Plant Resources (Rastitel'nye Resursy), 2013, 000-000. [all data]

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

Nadaf, Halimi, et al., 2012
Nadaf, M.; Halimi, M.; Mortazavi, M., Identification of nonpolar chemical composition Spartium junceum flower growing in Iran by GC-MS, Middle-East J. Sci. Res., 2012, 11, 2, 221-224. [all data]

Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R., Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss, Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]

Brandi, Bar, et al., 2011
Brandi, F.; Bar, E.; Mourgues, F.; Horvath, G.; Turcsi, E.; Giuliano, G.; Liverani, A.; Tartarini, S.; Lewinsohn, E.; Rosati, C., Study of Redhaven peach and its white-fleshed mutant suggests a key role of CCD4 carotenoid dioxygenase in carotenoid and norisoprenoid volatile metabolism, BMC Plant Biol., 2011, 11, 24, 1-14. [all data]

Grzeszczuk, Wesolowska, et al., 2011
Grzeszczuk, M.; Wesolowska, A.; Jadczak, D.; Jakubowska, B., Nutritional value of Chili edible flowers, Acta Sci. Pol. Hortorum Cultus, 2011, 10, 2, 85-94. [all data]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [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]

Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J., Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation, Chem, Centr. J., 2010, 4, 16, 1-15. [all data]

Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F., Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon, Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725 . [all data]

Mebazaa, Mahmoudi, et al., 2009
Mebazaa, R.; Mahmoudi, A.; Fouchet, M.; Dos Santos, M.; Kamissoko, F.; Nafti, A.; Ben Cheikh, R.; Rega, B.; Camel, V., Characterization of volatile compounds in Tunisian fenugreek seeds, Food Chem., 2009, 115, 4, 1326-1336, https://doi.org/10.1016/j.foodchem.2009.01.066 . [all data]

Pugliese, Sirtori, et al., 2009
Pugliese, C.; Sirtori, F.; Ruiz, J.; Martin, D.; Parenti, S.; Franci, O., Effect of pasture on chestnut or acorn on fatty acid composition and aromatic profile of fat of China Senece dry-cured ham, Gracas y Aceites, 2009, 60, 3, 271-276, https://doi.org/10.3989/gya.130208 . [all data]

Wetwiayaklung, Thavanapong, et al., 2009
Wetwiayaklung, P.; Thavanapong, N.; Charoenteeraboon, J., Chemical constituents and antimicrobial activity os essential oil and extracts of heartwood of Aquilaria crassna obtained from water distillation and supercritical fluid carbon dioxide extraction, Silpakorn U Sci. J., 2009, 3, 1, 25-33. [all data]

Nogueira, Marcelo-Curto, et al., 2008
Nogueira, T.; Marcelo-Curto, M.J.; Cristina Figueiredo, A.; Barroso, J.G.; Pedro, L.G.; Rubiolo, P.; Bicchi, C., Chemotaxonomy of Hypericum genus from Portugal: Geographical distribution and essential oils composition of Hypericum perfoliatum, Hypericum humifusum, Hypericum linarifolium and Hypericum pulchrum, Biochem. Syst. Ecol., 2008, 36, 1, 40-50, https://doi.org/10.1016/j.bse.2007.07.004 . [all data]

Ventanas, Estevez, et al., 2008
Ventanas, S.; Estevez, M.; Andres, A.I.; Ruiz, J., Analysis of volatile compounds of Iberian dry-cured loins with different intramuscular fat contents using SPME-DED, Meat Sci., 2008, 79, 1, 172-180, https://doi.org/10.1016/j.meatsci.2007.08.011 . [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]

Borse, Rao, et al., 2007
Borse, B.B.; Rao, L.J.M.; Ramalaksmi, K.; Raghavan, B., Chemical composition of volatiles from coconut sap (neera) end effect of processing, Food Chem., 2007, 101, 3, 877-880, https://doi.org/10.1016/j.foodchem.2006.02.026 . [all data]

Pavlovic, Petrovic, et al., 2007
Pavlovic, M.; Petrovic, S.; Ristic, M.; Maksimovic, Z.; Kovacevic, N., Essential oil of filipendula hexapetala, Chem. Natural Compounds, 2007, 43, 2, 228-229, https://doi.org/10.1007/s10600-007-0088-z . [all data]

Pellicer, 2007
Pellicer, L.V., Comparison of Sensory Characteristics, and Instrumental flavor Compounds Analysis of Milk Produced by Three Proction Methods. A Thesis presented to the Faculty of the Graduate School University of Missouri-Columbia, 2007, retrieved from http://edit.missouri,edu/Winter2007/Theses/ValverdePellicerL-053107-T6722/research.pdf. [all data]

Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M., Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity, Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020 . [all data]

Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M., Flavour compounds of Greek cotton honey, J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124 . [all data]

Hamm, Bleton, et al., 2005
Hamm, S.; Bleton, J.; Connan, J.; Tchapla, A., A chemical investigation by headspace SPME and GC-MS of volatile and semi-volatile terpenes in various olibanum samples, Phytochemistry, 2005, 66, 12, 1499-1514, https://doi.org/10.1016/j.phytochem.2005.04.025 . [all data]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2005, 20, 98-100. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Machiels, van Ruth, et al., 2003
Machiels, D.; van Ruth, S.M.; Posthumus, M.A.; Istasse, L., Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats, Talanta, 2003, 60, 4, 755-764, https://doi.org/10.1016/S0039-9140(03)00133-4 . [all data]

Morteza-Semnani and Vahedi, 2002
Morteza-Semnani, K.; Vahedi, M., Volatile constituents of Iranian Hypericum perforatum L., Proceedings of ICNP-2002 - Trabzon/Turkiye, 2002, 342-344. [all data]

Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J., Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona, Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2 . [all data]

Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F., Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia, J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222 . [all data]

Ansorena, Astiasarán, et al., 2000
Ansorena, D.; Astiasarán, I.; Bello, J., Influence of the simultaneous addition of the protease flavourzyme and the lipase novozyme 677BG on dry fermented sausage compounds extracted by SDE and analyzed by GC-MS, J. Agric. Food Chem., 2000, 48, 6, 2395-2400, https://doi.org/10.1021/jf990931y . [all data]

Timón, Ventanas, et al., 1998
Timón, M.L.; Ventanas, J.; Martín, L.; Tejeda, J.F.; García, C., Volatile compounds in supercritical carbon dioxide extracts of Iberian ham, J. Agric. Food Chem., 1998, 46, 12, 5143-5150, https://doi.org/10.1021/jf980652v . [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C., Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe, Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F . [all data]

Fagan, Kepner, et al., 1982
Fagan, G.L.; Kepner, R.E.; Webb, A.D., Additional volatile components of Palomino film sherry, Am. J. Enol. Vitic, 1982, 33, 1, 47-50. [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]


Notes

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References