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2-Pentanone, 4-hydroxy-4-methyl-

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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 TR-5 MSSiloxane, 5 % PhPolydimethyl siloxane, 5 % phenylDB-1DB-5
Column length (m) 15.  60.30.
Carrier gas Helium  HeliumHydrogen
Column diameter (mm) 0.25  0.250.25
Phase thickness (mum) 0.25  0.250.25
Program 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min)not specifiednot specified50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)35 0C 4 0C/min -> 180 0C 17 0C/min -> 280 0C (10 min)
I 838.848.848.815.784.
ReferenceKurashov, Mitrukova, et al., 2014VOC BinBase, 2012Skogerson, Wohlgemuth, et al., 2011Delort and Jaquier, 2009da Fonseca, Bizerra, et al., 2009
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5 MS  HP-5
Column length (m) 50.30.  50.
Carrier gas HeliumHelium  He
Column diameter (mm) 0.320.32  0.32
Phase thickness (mum) 1.051.0  0.52
Program 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)-10 0C (3 min) 50 0C/min -> 40 0C 5 0C/min -> 290 0C (5 min)not specifiednot specified35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)
I 839.842.818.821.851.
ReferenceVentanas, Estevez, et al., 2008Watanabe, Ueda, et al., 2008Bruce, Cork, et al., 2002Bruce, Cork, et al., 2002Timón, Ventanas, et al., 1998
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1DB-1DB-1SPB-1SPB-1
Column length (m)
Carrier gas He  HeliumHelium
Column diameter (mm) 0.530.320.320.530.53
Phase thickness (mum)
Program 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 0Cnot specified
I 820.817.817.820.821.
ReferenceFlanagan, Streete, et al., 1997Ciccioli, Cecinato, et al., 1994Ciccioli, Brancaleoni, et al., 1993Strete, Ruprah, et al., 1992Strete, Ruprah, et al., 1992
Column type Capillary
Active phase OV-1
Column length (m)  
Carrier gas  
Column diameter (mm)  
Phase thickness (mum)  
Program not specified
I 811.
ReferenceRamsey and Flanagan, 1982
Comment MSDC-RI


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.

Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V., Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press), Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [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]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Delort and Jaquier, 2009
Delort, E.; Jaquier, A., Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract, Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922 . [all data]

da Fonseca, Bizerra, et al., 2009
da Fonseca, A.M.; Bizerra, A.M.C.; de Souza, J.S.N.; Monte, F.J.Q.; de Oliveira M.C.F.; de Mattos, M.C.; Cordell, G.A.; Braz-Filho, R.; Lemos, T.L.G., Constituents and antioxidant activity of two varieties of coconut water (Cocos nucifera L.), Braz. J. Pharmacognosy, 2009, 19, 1B, 193-198. [all data]

Ventanas, Estevez, et al., 2008
Ventanas, S.; Estevez, M.; Andres, A.I.; Ruiz, J., Analysis of volatile compounds of Iberian dry-cured loins with different intramuscular fat contents using SPME-DED, Meat Sci., 2008, 79, 1, 172-180, https://doi.org/10.1016/j.meatsci.2007.08.011 . [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]

Bruce, Cork, et al., 2002
Bruce, T.J.; Cork, A.; Hall, D.R.; Dunkelblum, E., Laboratory and field evaluation of floral odours from African marigold, Tagetes erecta, and sweet pea, Lathyrus odoratus, as kairomones for the cotton bollworm Helicoverpa armigera, IOBC wprs Bull., 2002, 25, 1-9. [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]

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]


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