1-Butanol, 3-methyl-

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

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 RTX-1HP-5Siloxane, 5 % PhDB-5Polydimethyl siloxane, 5 % phenyl
Column length (m) 60.30. 60. 
Carrier gas HeliumHelium Helium 
Substrate      
Column diameter (mm) 0.220.25 0.25 
Phase thickness (μm) 0.250.25 1.00 
Program not specified30 0C (1 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 170 0Cnot specified40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)not specified
I 705.735.755.729.755.
ReferenceBendiabdellah, El Amine Dib, et al., 2012Fang, Pu, et al., 2012VOC BinBase, 2012Miyazaki, Plotto, et al., 2011Skogerson, Wohlgemuth, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil-5 CBRTX-1HP-5 MSCP-Sil 5 CBDB-5
Column length (m) 50.60.30.50.30.
Carrier gas NitrogenHeliumHeliumNitrogenHelium
Substrate      
Column diameter (mm) 0.320.220.320.320.25
Phase thickness (μm) 1.200.250.251.200.25
Program 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0Cnot specifiednot specified36 0C 20 0C/min -> 85 0C 1 0C -> 145 0C 3 0C/min -> 250 0C50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C
I 707.710.741.707.768.
ReferenceBailly and Collin, 2010Dib, Djabou, et al., 2010Pino, Marquez, et al., 2010Bailly, Jerkovic, et al., 2009Courtois, Paine, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5CP-Sil 5 CbSE-54HP-5HP-5 MS
Column length (m) 60.50. 50.30.
Carrier gas HeliumNitrogenHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.32 0.320.25
Phase thickness (μm) 0.251.20 1.050.25
Program 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)not specified40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C
I 736.715.736.736.732.
ReferenceRotsatschakul, Visesanguan, et al., 2009Collin, Nizet, et al., 2008Frauendorfer and Schieberle, 2008Ventanas, Estevez, et al., 2008Xie, Sun, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5HP-1HP-1Methyl Silicone
Column length (m) 30.30.50.50. 
Carrier gas   HeHe 
Substrate      
Column diameter (mm) 0.250.250.20.2 
Phase thickness (μm) 0.250.250.330.33 
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)not specified40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)not specified
I 744.745.718.713.725.
ReferenceZhao, Li, et al., 2008Zhao, Li, et al., 2008Barra, Baldovini, et al., 2007Barra, Baldovini, et al., 2007Chen and Feng, 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VB-5SE-54HP-5CP-Sil 5 CBCP Sil 5 CB
Column length (m) 60.30. 50.50.
Carrier gas He HeHeliumHe
Substrate      
Column diameter (mm) 0.250.32 0.320.32
Phase thickness (μm) 1.0.25 1.201.2
Program 35C(1min) => 4C/min => 175C => 10C/min => 260C35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)36 0C 20 0C/min -> 85 0C 1 0C/min -> 1345 0C 3 0C/min -> 250 0C36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C
I 731.738.737.707.707.
ReferenceKarlshøj, Nielsen, et al., 2007Lasekan, Buettner, et al., 2007Splivallo, Bossi, et al., 2007Bailly, Jerkovic, et al., 2006Bailly, Jerkovic, et al., 2006, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl SiliconeSPB-1BPX-5RTX-5BPX-5
Column length (m)  30.60.30.60.
Carrier gas   HeN2He
Substrate      
Column diameter (mm)  0.250.320.250.25
Phase thickness (μm)  0.251.0.250.25
Program not specifiednot specified40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250Cnot specified40C(5min) => 5C/min => 100C => 20C/min => 280C (5min)
I 725.719.741.736.742.
ReferenceKou, Zhang, et al., 2006Riu-Aumatell, Bosch-Fuste´, et al., 2006van Ruth, Floris, et al., 2006Ádámová, Orinák, et al., 2005Duflos, Moine, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Sil5 CB MSMDN-5Polydimethyl siloxane with 5 % Ph groupsHP-5SE-54
Column length (m) 50.30. 60.30.
Carrier gas     He
Substrate      
Column diameter (mm) 0.320.25 0.320.32
Phase thickness (μm) 1.20.25 1.0.25
Program 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)not specifiednot specifiednot specified40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)
I 715.735.736.727.739.
ReferenceIraqi, Vermeulen, et al., 2005Jelen and Grabarkiewicz-Szczesna, 2005Pino, Marbot, et al., 2005Thierry, Maillard, et al., 2005Buettner, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase MFE-73HP-5DB-5DB-5MSHP-5
Column length (m)  50.50.30.30.
Carrier gas    HeHe
Substrate      
Column diameter (mm)  0.320.320.250.25
Phase thickness (μm)  1.051.050.250.25
Program not specified40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)40C => 2C/min => 60C => 4C/min => 260C60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C
I 719.738.738.758.767.
ReferenceEscudero, Gogorza, et al., 2004Garcia-Estaban, Ansorena, et al., 2004Garcia-Estaban, Ansorena, et al., 2004, 2Maia, Andrade, et al., 2004Sotomayor, Martínez, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30SE-30DB-1SPB-5HP-5
Column length (m)   30.60.30.
Carrier gas   H2  
Substrate      
Column diameter (mm)   0.250.320.25
Phase thickness (μm)   0.251.0.25
Program not specifiednot specified40C(10min) => 2C/min => 110C => 5C/min => 200C(10min)not specified40C(6min) => 2.5C/min => 150C => 90C/min => 250C
I 720.719.732.726.737.
ReferenceVinogradov, 2004Vinogradov, 2004Alves and Franco, 2003Begnaud, Pérès, et al., 2003Jordán, Margaría, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5Polydimethyl siloxaneHP-5MSMFE-73HP-5
Column length (m) 30. 30. 30.
Carrier gas   HeH2 
Substrate      
Column diameter (mm) 0.25 0.25 0.25
Phase thickness (μm) 0.25 0.25 0.25
Program 40C(6min) => 2.5C/min => 150C => 90C/min => 250Cnot specified40C(5min) => 2C/min => 120C => 10C/min => 210C (30min)not specifiednot specified
I 744.719.710.719.737.
ReferenceJordán, Margaría, et al., 2003Junkes, Castanho, et al., 2003Martí, Mestres, et al., 2003Ferreira, Ortín, et al., 2002Jordán, Goodner, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5HP-5CP Sil 8 CBCP Sil 5 CB
Column length (m) 30.30.30.60.50.
Carrier gas      
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (μm) 0.250.250.250.251.2
Program not specified40C (6min) => 2.5C/min => 150C => 90C/min => 250C40C (6min) => 2.5C/min => 150C => 90C/min => 250Cnot specified36C => 20C/min => 120C(20min) => 2C/min => 250C(30min)
I 742.737.742.772.711.
ReferenceJordán, Goodner, et al., 2002Jordán, Margaría, et al., 2002Jordán, Margaría, et al., 2002Duckham, Dodson, et al., 2001Lermusieau, Bulens, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5Polydimethyl siloxaneMethyl SiliconeCP Sil 5 CBOV-101
Column length (m) 60.  50. 
Carrier gas He  He 
Substrate      
Column diameter (mm) 0.32  0.32 
Phase thickness (μm) 1.    
Program -30C(1min) => 100C/min => 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250Cnot specifiednot specified30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250Cnot specified
I 713.724.719.706.718.
Referencevan Ruth, Grossmann, et al., 2001Spanier, Shahidi, et al., 2001Estrada and Gutierrez, 1999Guyot, Scheirman, et al., 1999Licker, Acree, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1DB-5SE-54DB-5DB-1
Column length (m) 60.30.30.50.60.
Carrier gas He  He 
Substrate      
Column diameter (mm) 0.530.320.320.320.32
Phase thickness (μm) 5.0.250.250.250.25
Program 40C(6min) => 5C/min => 80C => 10C/min => 200C35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)not specified
I 719.736.736.738.748.
ReferenceFlanagan, Streete, et al., 1997Guth, 1997Guth, 1997Mateo and Zumalacárregui, 1996Ciccioli, Cecinato, et al., 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1SPB-1SPB-1DB-1
Column length (m) 30.60.60.60.60.
Carrier gas He HeliumHelium 
Substrate      
Column diameter (mm) 0.320.320.530.530.32
Phase thickness (μm)  0.255.05.0 
Program 35C => 40C/min => 50C(2min) => 4C/min => 240C3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0Cnot specifiednot specified
I 730.748.719.720.714.
ReferenceSchieberle and Grosch, 1994Ciccioli, Brancaleoni, et al., 1993Strete, Ruprah, et al., 1992Strete, Ruprah, et al., 1992Binder, Flath, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBDB-1DB-1DB-1DB-1
Column length (m) 40.30.30.30.30.
Carrier gas HeH2H2H2H2
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250C
I 732.724.725.714.720.
ReferenceWeller and Wolf, 1989Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101SF96+IgepalOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.OV-1
Column length (m)  152.50.50. 
Carrier gas   HydrogenHydrogen 
Substrate      
Column diameter (mm)  0.760.320.32 
Phase thickness (μm)      
Program not specified25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180Cnot specifiednot specifiednot specified
I 719.749.716.725.719.
ReferenceShibamoto, 1987Flath, Altieri, et al., 1984Waggott and Davies, 1984Waggott and Davies, 1984Ramsey and Flanagan, 1982
Comment MSDC-RI 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.

Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A., Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria, Chem. Centr. J., 2012, 6, 48, 1-22. [all data]

Fang, Pu, et al., 2012
Fang, S.; Pu, B.; Chen, A.; Kangzhou, Ao; Xu, D., A box-behnken design for characterizing Chineser truffles (Tuber indicum) aroma by HS-SPME-GC-MS, J. Food Res., 2012, 1, 3, 219-229, https://doi.org/10.5539/jfr.v1n3p219 . [all data]

VOC BinBase, 2012
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Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Skogerson, Wohlgemuth, et al., 2011
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Bailly, S.; Collin, S., Fate of polyunsaturated thiols in sauternes wines through ageing in Expression of Multidisciplinary Flavour Sci., Blank, I.; Wust, M.; Yertzian, C., ed(s)., Zhaw Ed., 2010, 227-230, retrieved from https://home.zhaw.ch/tildayere/pdf/Teil58-Expression of Multidisciplinary.pdf. [all data]

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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]

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Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D., Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages, Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028 . [all data]

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Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J., Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana, J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1 . [all data]

Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S., Changes in volatile compounds during fermentation of nham (Thai fermented sausage), Int. Food Res. J., 2009, 16, 391-414. [all data]

Collin, Nizet, et al., 2008
Collin, S.; Nizet, S.; Muls, S.; Iraqi, R.; Bouseta, A., Characterization of odor-active compounds in extracts obtained by simultaneous extraction/distillation from Moroccan black olives, J. Agric. Food Chem., 2008, 56, 9, 3273-3278, https://doi.org/10.1021/jf073488x . [all data]

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Xie, J.; Sun, B.; Zheng, F.; Wang, S., Volatile flavor constituents in roasted pork of mini-pig, Food Chem., 2008, 109, 3, 506-514, https://doi.org/10.1016/j.foodchem.2007.12.074 . [all data]

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Lasekan, O.; Buettner, A.; Christlbauer, M., Investigation of important odorants of palm wine (Elaeis guineensis), Food Chem., 2007, 105, 1, 15-23, https://doi.org/10.1016/j.foodchem.2006.12.052 . [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]

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Riu-Aumatell, Bosch-Fuste´, et al., 2006
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van Ruth, Floris, et al., 2006
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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]

Duflos, Moine, et al., 2005
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Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S., Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis, J. Agric. Food Chem., 2005, 53, 4, 1179-1184, https://doi.org/10.1021/jf040349w . [all data]

Jelen and Grabarkiewicz-Szczesna, 2005
Jelen, H.H.; Grabarkiewicz-Szczesna, J., Volatile compounds of Aspergillus strains with different abilities to produce ochratoxin A, J. Agric. Food Chem., 2005, 53, 5, 1678-1683, https://doi.org/10.1021/jf0487396 . [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]

Thierry, Maillard, et al., 2005
Thierry, A.; Maillard, M.-B.; Bonnarme, P.; Roussel, E., The addition of Propionibacterium freudenreichii to raclette cheese induces biochemical changes and enhances flavor development, J. Agric. Food Chem., 2005, 53, 10, 4157-4165, https://doi.org/10.1021/jf0481195 . [all data]

Buettner, 2004
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Notes

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