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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 DB-5VB-5BPX-5Methyl SiliconeHP-5
Column length (m) 60.60.60.60.50.
Carrier gas HeliumHeHeHelium 
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (μm) 1.001.1.1.01.05
Program 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)35C(1min) => 4C/min => 175C => 10C/min => 260C40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C-50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
I 583.582.614.572.591.
ReferenceMiyazaki, Plotto, et al., 2011Karlshøj, Nielsen, et al., 2007van Ruth, Floris, et al., 2006Blunden, Aneja, et al., 2005Garcia-Estaban, Ansorena, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1SE-30Polydimethyl siloxaneDB-5SF-96
Column length (m)    30.40.
Carrier gas      
Substrate      
Column diameter (mm)    0.320.28
Phase thickness (μm)    1. 
Program not specifiednot specifiednot specified35C(4min) => 2C/min => 130C => 4C/min => 250C75C => 3C/min => 190C(25min) => 3C/min => 210C
I 571.550.571.593.564.
ReferenceJunkes, Amboni, et al., 2004Vinogradov, 2004Junkes, Castanho, et al., 2003Qian and Reineccius, 2003Kawasaki, Matsui, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5SPB-1DB-1DB-1SPB-1
Column length (m) 50.60.60.60.60.
Carrier gas HeHe  Helium
Substrate      
Column diameter (mm) 0.320.530.320.320.53
Phase thickness (μm) 0.525.0.250.255.0
Program 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)40C(6min) => 5C/min => 80C => 10C/min => 200Cnot specified3 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 0C
I 607.568.563.563.568.
ReferenceTimón, Ventanas, et al., 1998Flanagan, Streete, et al., 1997Ciccioli, Cecinato, et al., 1994Ciccioli, Brancaleoni, et al., 1993Strete, Ruprah, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase CP Sil 8 CBSF96+IgepalOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Column length (m) 40.152.50.
Carrier gas He Hydrogen
Substrate    
Column diameter (mm) 0.250.760.32
Phase thickness (μm) 0.25  
Program 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180Cnot specified
I 589.575.574.
ReferenceWeller and Wolf, 1989Flath, Altieri, et al., 1984Waggott and Davies, 1984
Comment 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.

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]

Karlshøj, Nielsen, et al., 2007
Karlshøj, K.; Nielsen, P.V.; Larsen, T.O., Prediction of Penicillium expansum Spoilage and Patulin Concentration in Apples Used for Apple Juice Production by Electronic Nose Analysis, J. Agric. Food Chem., 2007, 55, 11, 4289-4298, https://doi.org/10.1021/jf070134x . [all data]

van Ruth, Floris, et al., 2006
van Ruth, S.M.; Floris, V.; Fayoux, S., Characterisation of the volatile profiles of infant formulas by proton transfer reaction-mass spectrometry and gas chromatography-mass spectrometry, Food Chem., 2006, 98, 2, 343-350, https://doi.org/10.1016/j.foodchem.2005.06.012 . [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]

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]

Junkes, Amboni, et al., 2004
Junkes, B.S.; Amboni, R.D.M.C.; Yunes, R.A.; Heinzen, V.E.F., Application of the semi-empirical topological index in quantitative structure-chromatographic retention relationship (QSRR) studies of aliphatic ketones and aldehydes on stationary phases of different polarity, J. Braz. Chem. Soc., 2004, 15, 2, 183-189, https://doi.org/10.1590/S0103-50532004000200005 . [all data]

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

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]

Qian and Reineccius, 2003
Qian, M.; Reineccius, G., Potent aroma compounds in Parmigiano Reggiano cheese studied using a dynamic headspace (purge-trap) method, Flavour Fragr. J., 2003, 18, 3, 252-259, https://doi.org/10.1002/ffj.1194 . [all data]

Kawasaki, Matsui, et al., 1998
Kawasaki, W.; Matsui, K.; Akakabe, Y.; Itai, N.; Kajiwara, T., Long-chain aldehyde-forming activity in tobacco leaves, Phytochemistry, 1998, 49, 6, 1565-1568, https://doi.org/10.1016/S0031-9422(98)00236-2 . [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]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [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]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]

Flath, Altieri, et al., 1984
Flath, R.A.; Altieri, M.A.; Mon, T.R., Volatile constituents of Amaranthus retroflexus L., J. Agric. Food Chem., 1984, 32, 1, 92-94, https://doi.org/10.1021/jf00121a024 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

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