1-Butanol, 2-methyl-

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Normal alkane RI, 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 Carbowax 20MSupelco CO Wax-10Supelco CO Wax-10DB-WaxDB-Wax
Column length (m)  60.60.30.30.
Carrier gas  HeliumHeliumHeliumHelium
Substrate      
Column diameter (mm)  0.320.320.250.25
Phase thickness (μm)  0.250.250.250.25
Program not specified35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min)not specifiednot specifiednot specified
I 1213.1244.1218.1191.1196.
ReferenceLee, Chong, et al., 2012Prompona, Kandylis, et al., 2012Prompona, Kandylis, et al., 2012Welke, Manfroi, et al., 2012Welke, Manfroi, et al., 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxFFAPDB-WaxDB-WaxSupelcowax-10
Column length (m) 30.50.20.20.50.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.200.180.180.25
Phase thickness (μm) 0.250.330.180.180.25
Program not specified70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min)35 0C (1 min) 2.9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min)35 0C (1 min) 2/9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min)45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)
I 1204.1199.1199.1200.1210.
ReferenceWelke, Manfroi, et al., 2012Ortiz, Echeverra, et al., 2009Rowan, Hunt, et al., 2009Rowan, Hunt, et al., 2009, 2Soria, Martinez-Castro, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCP-Wax 52 CBSupelcowax 10Supelcowax 10DB-Wax
Column length (m) 30.50.50.50.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (μm) 0.500.290.250.250.25
Program 40 0C 7 0C/min -> 110 0C 15 0C/min -> 250 0C (3 min)33 0C (1 min) 2 0C/min -> 130 0C 10 0C/min -> 220 0C45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C
I 1214.1191.1210.1210.1224.
ReferenceValappil, Fan, et al., 2009Kaack and Christensen, 2008Soria, Martinez-Castro, et al., 2008Soria, Martinez-Castro, et al., 2008Tao, Wenlai, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-FFAPFFAPFFAPDB-Wax
Column length (m) 50.30.50.50.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.20.320.20.20.25
Phase thickness (μm) 0.330.250.330.330.25
Program 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min)70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)35C(5min) => 2C/min => 50C => 5C/min => 200C (5min)
I 1210.1213.1210.1210.1210.
ReferenceLara, Echeverría, et al., 2007Lasekan, Buettner, et al., 2007Lopez, Villatoro, et al., 2007Lara, Graell, et al., 2006Mattheis, Fan, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPFFAPDB-WaxCarbowax 20MCarbowax 20M
Column length (m) 30.50.60.  
Carrier gas HeHeHelium  
Substrate      
Column diameter (mm) 0.320.20.25  
Phase thickness (μm) 0.250.330.25  
Program 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min)70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0Cnot specifiednot specified
I 1211.1210.1203.1221.1183.
ReferenceBuettner, 2004Echeverría, Correa, et al., 2004Kim. J.H., Ahn, et al., 2004Vinogradov, 2004Vinogradov, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-FFAPHP-InnowaxFFAPDB-WaxDB-Wax
Column length (m) 50.30.30.30.30.
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.20.320.320.250.25
Phase thickness (μm) 0.330.50.250.250.25
Program 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)50C(4min) => 10C/min => 230C(10min) => 10C/min => 250C35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min)50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)
I 1210.1209.1211.1203.1209.
ReferenceEcheverria, Fuentes, et al., 2003Piasenzotto, Gracco, et al., 2003Buettner and Schieberle, 2001Mayorga, Knapp, et al., 2001Mayorga, Knapp, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPCross-linked FFAPCP-Wax 52CBFFAPPEG
Column length (m) 50.50.50.50.40.
Carrier gas N2N2HeN2Hydrogen
Substrate      
Column diameter (mm) 0.20.20.250.20.182
Phase thickness (μm) 0.330.330.20.330.30
Program 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min)70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min)30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min)70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min)35 0C (5 min) 5 0C/min -> 100 0C 3 0C/min -> 200 0C (1 min) 20 0C/min -> 240 0C (2 min)
I 1213.1213.1199.1213.1220.
ReferenceLopez, Lavilla, et al., 2000Lavilla, Puy, et al., 1999Jakobsen, Hansen, et al., 1998López, Lavilla, et al., 1998Vas, Gal, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxCarbowax 20MCarbowax 20M
Column length (m) 30.60.60.60.60.
Carrier gas    HeHe
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (μm) 0.25    
Program not specifiednot specifiednot specifiednot specifiednot specified
I 1223.1203.1204.1184.1189.
ReferenceMarlatt, Ho, et al., 1992Binder, Flath, et al., 1989Binder and Flath, 1989Fagan, Kepner, et al., 1982Fagan, Kepner, et al., 1982
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, 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.

Lee, Chong, et al., 2012
Lee, P.-R.; Chong, I.S.-M.; Yu, B.; Curran, P.; Liu, S.-Q., Effect of precursors on volatile compounds in Papaya wine fermented by mixed yeasts, Uncorrected proof, 2012, 000-000. [all data]

Prompona, Kandylis, et al., 2012
Prompona, K.-D.; Kandylis, P.; Tsakiris, A.; Kanellaki, M.; Kourkoutas, Y., Application of alternative technologies for elimination of artificial colorings in alcoholic beverages produced by Citrus medica and potential impact on human health, Food Nutrition Sci., 2012, 3, 07, 959-969, https://doi.org/10.4236/fns.2012.37127 . [all data]

Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A., Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection, J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002 . [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]

Rowan, Hunt, et al., 2009
Rowan, D.D.; Hunt, M.B.; Alspach, P.A.; Whitworth, C.J.; Oraguzie, N.C., Heriability and genetic and phenotypic correlations of apple (Malus x domestica) fruit volatiles in a genetically diverse breeding population, J. Agric. Food Chem., 2009, 57, 17, 7944-7952, https://doi.org/10.1021/jf901359r . [all data]

Rowan, Hunt, et al., 2009, 2
Rowan, D.D.; Hunt, M.B.; Dimouro A.; Alspach P.A.; Weskett R.; Volz, R.K.; Gardiner, S.E.; Chagne, D., Profiling fruit volatiles in the progeny of a Royal Gala x Granny Smith apple (Malus x domestica) cross, J. Agr. Food Chem., 2009, 57, 17, 7953-7961, https://doi.org/10.1021/jf901678v . [all data]

Soria, Martinez-Castro, et al., 2009
Soria, A.C.; Martinez-Castro, I.; Sanz, J., Study of the precision in the purge-and-trap-gas-chromatography-mass-spectrometry analysis of volatile compounds in honey, J. Chromatogr. A., 2009, 1216, 15, 3300-3304, https://doi.org/10.1016/j.chroma.2009.01.065 . [all data]

Valappil, Fan, et al., 2009
Valappil, Z.A.; Fan, X.; Zhang, H.Q.; Rouseff, R.L., Impact of thermal and nonthermal processing technologies on unfermented apple cider aroma vilatiles, J. Agric. Food Chem., 2009, 57, 3, 924-929, https://doi.org/10.1021/jf803142d . [all data]

Kaack and Christensen, 2008
Kaack, K.; Christensen, L.P., Effect of packing materials and storage time on volatile compounds in tea processes from flowers of black elder (Sambucus nigra L.), Eur. Food Res. Technol., 2008, 227, 4, 1259-1273, https://doi.org/10.1007/s00217-008-0844-8 . [all data]

Soria, Martinez-Castro, et al., 2008
Soria, A.C.; Martinez-Castro, I.; Sanz, J., Some aspects of dynamic headspace analysis of volatile components in honey, Foog Res. International, 2008, 41, 8, 838-848, https://doi.org/10.1016/j.foodres.2008.07.010 . [all data]

Tao, Wenlai, et al., 2008
Tao, L.; Wenlai, F.; Yan, X., Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry, J. Inst. Brew., 2008, 114, 2, 172-179, https://doi.org/10.1002/j.2050-0416.2008.tb00323.x . [all data]

Lara, Echeverría, et al., 2007
Lara, I.; Echeverría, G.; Graell, J.; López, M.L., Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities, J. Agric. Food Chem., 2007, 55, 15, 6087-6095, https://doi.org/10.1021/jf070464h . [all data]

Lasekan, Buettner, et al., 2007
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]

Lopez, Villatoro, et al., 2007
Lopez, M.L.; Villatoro, C.; Fuentes, T.; Graell, J.; Lara, I.; Echeverria, G., Volatile compounds, quality parameters and consumer acceptance of 'Pink Lady®' apples stored in different conditions, Postharvest Biol. Technol., 2007, 43, 1, 55-66, https://doi.org/10.1016/j.postharvbio.2006.07.009 . [all data]

Lara, Graell, et al., 2006
Lara, I.; Graell, J.; López, M.L.; Echeverría, G., Multivariate analysis of modifications in biosynthesis of volatile compounds after CA storage of 'Fuji' apples, Postharvest Biol. Technol., 2006, 39, 1, 19-28, https://doi.org/10.1016/j.postharvbio.2005.09.001 . [all data]

Mattheis, Fan, et al., 2005
Mattheis, J.P.; Fan, X.; Argenta, L.C., Interactive Responses of Gala Apple Fruit Volatile Production to Controlled Atmosphere Storage and Chemical Inhibition of Ethylene Action, J. Agric. Food Chem., 2005, 53, 11, 4510-4516, https://doi.org/10.1021/jf050121o . [all data]

Buettner, 2004
Buettner, A., Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS), J. Agric. Food Chem., 2004, 52, 8, 2339-2346, https://doi.org/10.1021/jf035322b . [all data]

Echeverría, Correa, et al., 2004
Echeverría, G.; Correa, E.; Ruiz-Altisent, M.; Graell, J.; Puy, J.; López, L., Characterization of Fuji apples from different harvest dates and storage conditions from measurements of volatiles by gas chromatography and electronic nose, J. Agric. Food Chem., 2004, 52, 10, 3069-3076, https://doi.org/10.1021/jf035271i . [all data]

Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W., Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce, Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6 . [all data]

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

Echeverria, Fuentes, et al., 2003
Echeverria, G.; Fuentes, M.T.; Graell, J.; Lopez, M.L., Relationships between volatile production, fruit quality and sensory evaluation of Fuji apples stored in different atmospheres by means of multivariate analysis, J. Sci. Food Agric., 2003, 84, 1, 5-20, https://doi.org/10.1002/jsfa.1554 . [all data]

Piasenzotto, Gracco, et al., 2003
Piasenzotto, L.; Gracco, L.; Conte, L., Solid phase microextraction (SPME) applied to honey quality control, J. Sci. Food Agric., 2003, 83, 10, 1037-1044, https://doi.org/10.1002/jsfa.1502 . [all data]

Buettner and Schieberle, 2001
Buettner, A.; Schieberle, P., Application of a comparative aroma extract dilution analysis to monitor changes in orange juice aroma compounds during processing, Am. Chem. Soc. Symp. Ser., 2001, 782, 33-45. [all data]

Mayorga, Knapp, et al., 2001
Mayorga, H.; Knapp, H.; Winterhalter, P.; Duque, C., Glycosidically bound flavor compounds of cape gooseberry (Physalis peruviana L.), J. Agric. Food Chem., 2001, 49, 4, 1904-1908, https://doi.org/10.1021/jf0011743 . [all data]

Lopez, Lavilla, et al., 2000
Lopez, M.L.; Lavilla, M.T.; Recasens, I.; Graell, J.; Vendrell, M., Changes in aroma quality of 'Golden Delicious' apples after storage at different oxygen and carbon dioxide concentrations, J. Sci. Food Agric., 2000, 80, 3, 311-324, https://doi.org/10.1002/1097-0010(200002)80:3<311::AID-JSFA519>3.0.CO;2-F . [all data]

Lavilla, Puy, et al., 1999
Lavilla, T.; Puy, J.; López, M.L.; Recasens, I.; Vendrell, M., Relationships between volatile production, fruit quality, and sensory evaluation in Granny Smith apples stored in different controlled-atmosphere treatments by means of multivariate analysis, J. Agric. Food Chem., 1999, 47, 9, 3791-3803, https://doi.org/10.1021/jf990066h . [all data]

Jakobsen, Hansen, et al., 1998
Jakobsen, H.B.; Hansen, M.; Christensen, M.R.; Brockhoff, P.B.; Olsen, C.E., Aroma volatiles of blanched green peas (Pisum sativum L.), J. Agric. Food Chem., 1998, 46, 9, 3727-3734, https://doi.org/10.1021/jf980026y . [all data]

López, Lavilla, et al., 1998
López, M.L.; Lavilla, T.; Recasens, I.; Riba, M.; Vendrell, M., Influence of different oxygen and carbon dioxide concentrations during storage on production of volatile compounds by Starking delicious apples, J. Agric. Food Chem., 1998, 46, 2, 634-643, https://doi.org/10.1021/jf9608938 . [all data]

Vas, Gal, et al., 1998
Vas, G.; Gal, L.; Harangi, J.; Dobo, A.; Vekey, K., Determination of volatile aroma compounds of Blaeufrankisch wines extracted by solid-phase microextraction, J. Chromatogr. Sci., 1998, 36, 10, 505-510, https://doi.org/10.1093/chromsci/36.10.505 . [all data]

Marlatt, Ho, et al., 1992
Marlatt, C.; Ho, C.-T.; Chien, M., Studies of aroma constituents bound as glycosides in tomato, J. Agric. Food Chem., 1992, 40, 2, 249-252, https://doi.org/10.1021/jf00014a016 . [all data]

Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R., Volatile components of bittermelon, J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032 . [all data]

Binder and Flath, 1989
Binder, R.G.; Flath, R.A., Volatile components of pineapple guava, J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034 . [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]


Notes

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