1-Hexanol, 2-ethyl-

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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 SLB-5 MSSLB-5 MSPolydimethyl siloxane with 5 % Ph groupsPolydimethyl siloxane with 5 % Ph groupsSiloxane, 5 % Ph
Column length (m) 30.30.   
Carrier gas HeliumHelium   
Substrate      
Column diameter (mm) 0.250.25   
Phase thickness (μm) 0.250.25   
Program not specifiednot specifiednot specifiednot specifiednot specified
I 1030.1030.1030.1035.1020.
ReferenceMondello, 2012Mondello, 2012Robinson, Adams, et al., 2012Robinson, Adams, et al., 2012VOC BinBase, 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-5 MSPolydimethyl siloxane, 5 % phenylHP-5 MSBPX-5ZB-5
Column length (m) 30. 30.30.30.
Carrier gas Helium HeliumHeliumHelium
Substrate      
Column diameter (mm) 0.25 0.250.250.25
Phase thickness (μm) 0.25 0.250.250.25
Program not specifiednot specified40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min)70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min)45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
I 1040.1020.1039.1031.1032.
ReferenceLiu, Lu, et al., 2011Skogerson, Wohlgemuth, et al., 2011Fan, Lu, et al., 2009Ortiz, Echeverra, et al., 2009de Simon, Estruelas, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-1DB-5 MSHP-1Methyl SiliconeHP-5
Column length (m) 30.30.50. 30.
Carrier gas HeliumHeliumHe He
Substrate      
Column diameter (mm) 0.250.320.2 0.32
Phase thickness (μm) 0.251.00.33 0.25
Program 30 0C (50 min) 2 0C/min -> 90 0C 30 0C/min -> 300 0C (3 min)-10 0C (3 min) 50 0C/min -> 40 0C 5 0C/min -> 290 0C (5 min)40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)not specified40 0C (2 min) 110 0C (2 min) 3 0C/min -> 170 0C (2 min) 4 0C/min -> 220 0C (2 min) 10 0C/min -> 260 0C (5 min)
I 1015.1031.1008.1019.1031.
ReferenceZhang and Liang, 2009Watanabe, Ueda, et al., 2008Barra, Baldovini, et al., 2007Chen and Feng, 2007Dou, Li, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5 MSHP-55 % Phenyl methyl siloxaneMethyl SiliconeRTX-5
Column length (m) 60. 30. 30.
Carrier gas HeliumHe  N2
Substrate      
Column diameter (mm) 0.32 0.25 0.25
Phase thickness (μm) 1.0 0.75 0.25
Program 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min)not specifiednot specified
I 1028.1019.1031.1019.1015.
ReferenceLiu, Xu, et al., 2007Splivallo, Bossi, et al., 2007Beaulieu J.C. and Lea J.M., 2006Kou, Zhang, et al., 2006Ádámová, Orinák, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl SiliconeBPX-5HP-5DB-5SPB-5
Column length (m) 60.60.50.50.60.
Carrier gas HeliumHe   
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (μm) 1.00.251.051.051.
Program -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)40C(5min) => 5C/min => 100C => 20C/min => 280C (5min)40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)not specified
I 1048.1043.1030.1030.1028.
ReferenceBlunden, Aneja, et al., 2005Duflos, Moine, et al., 2005Garcia-Estaban, Ansorena, et al., 2004Garcia-Estaban, Ansorena, et al., 2004, 2Begnaud, Pérès, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5Polydimethyl siloxaneBPX-5DB-1HP-5MS
Column length (m) 60. 60.30.30.
Carrier gas   HeHeHe
Substrate      
Column diameter (mm) 0.25 0.320.250.25
Phase thickness (μm) 0.25 1.0.250.25
Program 35C => 5C/min => 120C => 2C/min => 160C => 7C/min => 250Cnot specified40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)60C => 4C/min => 200C (5min) => 10C/min => 280C (20min)40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
I 1028.1013.1029.1020.1034.
ReferenceChung, Heymann, et al., 2003Junkes, Castanho, et al., 2003Machiels, van Ruth, et al., 2003Variyar, Ahmad, et al., 2003Ansorena, Gimeno, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5HP-5RSL-150DB-1DB-1
Column length (m) 50.50.60.60.60.
Carrier gas HeliumHeHe  
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (μm) 0.500.520.250.250.25
Program 40 0C (5 min) 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C (10 min)35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min)not specified3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
I 1038.1033.1020.1015.1015.
ReferenceMadruga, Arruda, et al., 2000Timón, Ventanas, et al., 1998Buchbauer, Nikiforov, et al., 1994Ciccioli, Cecinato, et al., 1994Ciccioli, Brancaleoni, et al., 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase SE-30DB-1DB-1OV-1
Column length (m) 60.30.30. 
Carrier gas N2H2H2 
Substrate     
Column diameter (mm) 0.320.250.25 
Phase thickness (μm)  0.250.25 
Program 50C(8min) => 3C/min => 150C => 35C/min => 275C (10min)30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250Cnot specified
I 1014.1018.1018.1037.
ReferenceIbrahim and Suffet, 1988Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988Ramsey and Flanagan, 1982
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.

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]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [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]

Liu, Lu, et al., 2011
Liu, S.; Lu, S.; Su, Y.; Guo, Y., Analysis of volatile compounds in Radix Bupleuri injection by GC-MS-MS, Chromatographia, 2011, 74, 5-6, 497-502, https://doi.org/10.1007/s10337-011-2082-7 . [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]

Fan, Lu, et al., 2009
Fan, G.; Lu, W.; Yao, X.; Zhang, Y.; Wang, K.; Pan, S., effect of fermentation on free and bound volatile compounds of orange juice, Flavour Fragr. J., 2009, 24, 5, 219-229, https://doi.org/10.1002/ffj.1931 . [all data]

Ortiz, Echeverra, et al., 2009
Ortiz, A.; Echeverra, G.; Graell, J.; Lara, I., Calcium dips enhance volatile emission of cold-stored Fuji Kiki-8 apples, J. Agric. Food Chem., 2009, 57, 11, 4931-4938, https://doi.org/10.1021/jf9003576 . [all data]

de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M., Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage, J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h . [all data]

Zhang and Liang, 2009
Zhang, L.; Liang, Y., Dissimilarity analysis and automatic identification of monomethylalkanes from gas chromatography mass spectrometry data. 1. Principle and protocol, J. Chromatogr. A, 2009, 1216, 27, 5272-5283, https://doi.org/10.1016/j.chroma.2009.04.089 . [all data]

Watanabe, Ueda, et al., 2008
Watanabe, A.; Ueda, Y.; Higuchi, M.; Shiba, N., Analysis of volatile compounds in beef fat by dinamic-headspace solid phase microextraction combined with gas chromatography - mass spectrometry, J. Food Sci., 2008, 73, 5, 420-425, https://doi.org/10.1111/j.1750-3841.2008.00764.x . [all data]

Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L., Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE), Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027 . [all data]

Chen and Feng, 2007
Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]

Dou, Li, et al., 2007
Dou, H.-L.; Li, C.-M.; Gu, H.-F.; Hao, J.-F., Comparative analysis on aromatic components of green tea and fresh green tea beverage using HS-SPME/GC-MS/GC-olfactometry/RI methods, Journal of Tea Science, 2007, 27, 1, 51-60. [all data]

Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H., Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques, Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x . [all data]

Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P., Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction, Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030 . [all data]

Beaulieu J.C. and Lea J.M., 2006
Beaulieu J.C.; Lea J.M., Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction, J. Agric. Food Chem., 2006, 54, 20, 7789-7793, https://doi.org/10.1021/jf060663l . [all data]

Kou, Zhang, et al., 2006
Kou, J.; Zhang, S.; Hu, Y.; Qiao, H.; Li, J., Stidy on the relationships between structures and gas chromatographic retention indices of alcohols, Comput. Appl. Chem. (Chinese), 2006, 23, 7, 651-654. [all data]

Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L., Retention indices as identification tool in pyrolysis-capillary gas chromatography, J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003 . [all data]

Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053 . [all data]

Duflos, Moine, et al., 2005
Duflos, G.; Moine, F.; Coin, V.M.; Malle, P., Determination of volatile compounds in whiting (Merlangius merlangus) using headspace-solid-phase microextraction-gas chromatography-mass spectrometry, J. Chromatogr. Sci., 2005, 43, 6, 304-312, https://doi.org/10.1093/chromsci/43.6.304 . [all data]

Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J., Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham, J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826 . [all data]

Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J., Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME), Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007 . [all data]

Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L., Characterization of volatile effluents of livestock buildings by solid-phase microextraction, Int. J. Environ. Anal. Chem., 2003, 83, 10, 837-849, https://doi.org/10.1080/03067310310001603349 . [all data]

Chung, Heymann, et al., 2003
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Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]

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Variyar, Ahmad, et al., 2003
Variyar, P.S.; Ahmad, R.; Bhat, R.; Niyas, Z.; Sharma, A., Flavoring components of raw monsooned Arabica coffee and their changes during radiation processing, J. Agric. Food Chem., 2003, 51, 27, 7945-7950, https://doi.org/10.1021/jf030408q . [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]

Madruga, Arruda, et al., 2000
Madruga, M.S.; Arruda, S.G.B.; Narain, N.; Souza, J.G., Castration and slaughter age effects on panel assessment and aroma compounds of the mestico goat meat, Meat Sci., 2000, 56, 2, 117-125, https://doi.org/10.1016/S0309-1740(00)00025-5 . [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]

Buchbauer, Nikiforov, et al., 1994
Buchbauer, G.; Nikiforov, A.; Remberg, B., Headspace constituents of opium, Planta Medica, 1994, 60, 2, 181-183, https://doi.org/10.1055/s-2006-959447 . [all data]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [all data]

Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M., Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry, J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F . [all data]

Ibrahim and Suffet, 1988
Ibrahim, E.A.; Suffet, I.H., Freon FC-113, an Alternative to Methylene Chloride for Liquid-Liquid Extraction of Trace Organics from Chlorinated Drinking Water, J. Chromatogr., 1988, 454, 217-232, https://doi.org/10.1016/S0021-9673(00)88615-X . [all data]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037 . [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]


Notes

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