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Octanoic acid, ethyl ester

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Van Den Dool and Kratz 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 HP-5MSVF-5MSVF-5MSVF-5MSVF-5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C
I 1193.81190.1190.1190.1190.
ReferenceAndriamaharavo, 2014Carasek and Pawliszyn, 2006Carasek and Pawliszyn, 2006Carasek and Pawliszyn, 2006Carasek and Pawliszyn, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-5MSHP-5MSSE-54SE-54DB-5
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.250.250.250.251.
Program 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C5C(8min) => 3C/min => 20C => 10C/min => 150C(10min)35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min)35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min)40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)
I 1190.1202.1200.1200.1200.
ReferenceCarasek and Pawliszyn, 2006Bonaiti, Irlinger, et al., 2005Fritsch and Schieberle, 2005Fritsch and Schieberle, 2005Wang, Finn, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5DB-5DB-5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 60C(2min) => 3C/min => 240C => 10C/min => 270C (4.5min)35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)40C (5min) => 2C/min => 200C => 5C/min => 250C (15min)
I 1194.1200.1202.1194.1191.
ReferencePassos X.S., Castro A.C.M., et al., 2003Zehentbauer and Reineccius, 2002Zehentbauer and Reineccius, 2002Beaulieu and Grimm, 2001Boulanger and Crouzet, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5MSDB-5DB-5SE-52
Column length (m) 30.30.30.30.60.
Carrier gas HeHeH2H2He
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.40
Program 35C(2min) => 40C/min => 60C (2min) => 4C/min => 240C60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min)40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)
I 1199.1209.1195.1200.1196.
ReferenceRychlik and Bosset, 2001Boulanger and Crouzet, 2000Boulanger, Chassagne, et al., 1999Boulanger, Chassagne, et al., 1999Mondello, Dugo, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz 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.

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Carasek and Pawliszyn, 2006
Carasek, E.; Pawliszyn, J., Screening of Tropical Fruit Volatile Compounds Using Solid-Phase Microextraction (SPME) Fibers and Internally Cooled SPME Fiber, J. Agric. Food Chem., 2006, 54, 23, 8688-8696, https://doi.org/10.1021/jf0613942 . [all data]

Bonaiti, Irlinger, et al., 2005
Bonaiti, C.; Irlinger, F.; Spinnler, H.E.; Engel, E., An iterative sensory procedure to select odor-active associations in complex consortia of microorganisms: application to the construction of a cheese model, J. Dairy Sci., 2005, 88, 5, 1671-1684, https://doi.org/10.3168/jds.S0022-0302(05)72839-3 . [all data]

Fritsch and Schieberle, 2005
Fritsch, H.T.; Schieberle, P., Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer, J. Agric. Food Chem., 2005, 53, 19, 7544-7551, https://doi.org/10.1021/jf051167k . [all data]

Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C., Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis, J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m . [all data]

Passos X.S., Castro A.C.M., et al., 2003
Passos X.S.; Castro A.C.M.; Pires J.S.; Garcia A.C.F.; Campos F.C.; Fernandes O.F.L.; Paula J.R.; Ferreira H.D.; Santos S.C.; Ferri P.H.; Silva M.D.R., Composition and antifungal activity of the essential oils of Caryocar brasiliensis, Pharm. Biol., 2003, 41, 5, 319-324, https://doi.org/10.1076/phbi.41.5.319.15936 . [all data]

Zehentbauer and Reineccius, 2002
Zehentbauer, G.; Reineccius, G.A., Determination of key aroma components of cheddar cheese using dynamic headspace dilution assay, Flavour Fragr. J., 2002, 17, 4, 300-305, https://doi.org/10.1002/ffj.1102 . [all data]

Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C., Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768 . [all data]

Boulanger and Crouzet, 2001
Boulanger, R.; Crouzet, J., Identification of the aroma components of acerola (Malphigia glabra L.): free and bound flavor compounds, Food Chem., 2001, 74, 2, 209-216, https://doi.org/10.1016/S0308-8146(01)00128-5 . [all data]

Rychlik and Bosset, 2001
Rychlik, M.; Bosset, J.O., Flavour and off-flavour compoundsof SwissGruy ere cheese. Evaluation of potent odorants, Int. Dairy J., 2001, 11, 11-12, 895-901, https://doi.org/10.1016/S0958-6946(01)00108-X . [all data]

Boulanger and Crouzet, 2000
Boulanger, R.; Crouzet, J., Free and bound flavour components of Amazonian fruits: 2. cupuacu volatile compounds, Flavour Fragr. J., 2000, 15, 4, 251-257, https://doi.org/10.1002/1099-1026(200007/08)15:4<251::AID-FFJ905>3.0.CO;2-2 . [all data]

Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J., Free and bound flavour components of amazonian fruits. 1: Bacuri, Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C . [all data]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References