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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 SLB-5 MSSLB-5 MSSiloxane, 5 % PhHP-5DB-5
Column length (m) 30.30. 30.60.
Carrier gas HeliumHelium HeliumHelium
Substrate      
Column diameter (mm) 0.250.25 0.320.25
Phase thickness (μm) 0.250.25 0.251.00
Program not specifiednot specifiednot specifiednot specified40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
I 1309.1309.1313.1307.1305.
ReferenceMondello, 2012Mondello, 2012VOC BinBase, 2012Kahriman, Tosun, et al., 2011Miyazaki, Plotto, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSHP-5 MSPolydimethyl siloxane, 5 % phenylRTX-1HP-5
Column length (m)    60.30.
Carrier gas    HeliumHelium
Substrate      
Column diameter (mm)    0.220.32
Phase thickness (μm)    0.250.25
Program not specifiednot specifiednot specifiednot specifiednot specified
I 1306.1310.1313.1280.1307.
ReferencePayo, Colo, et al., 2011Payo, Colo, et al., 2011Skogerson, Wohlgemuth, et al., 2011Dib, Djabou, et al., 2010Kahriman, Tosun, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SLB-5 MSHP-5HP-5HP-5 MSHP-5
Column length (m) 10.25.25.60.30.
Carrier gas HeliumHeliumHeliumHelium 
Substrate      
Column diameter (mm) 0.100.320.320.320.32
Phase thickness (μm) 0.100.170.171.0 
Program not specified60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)not specified120 0C 2 0C/min -> 240 0C 10 0C/min -> 270 0C (2 min)not specified
I 1309.1300.1306.1319.1308.
ReferenceScandinaro, Tranchida, et al., 2010Custer, 2009Custer, 2009Dharmawan, Kasapis, et al., 2009Riahi, Pourbasheer, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5BPX-5DB-1HP-5HP-5
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)not specified45C => 3C/min => 175C => 15C/min => 300C (10min)40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min)not specified
I 1318.1316.1288.1307.1314.
Referencese Souza, Cardeal, et al., 2009se Souza, Cardeal, et al., 2009Nogueira, Marcelo-Curto, et al., 2008Qiao, Xie, et al., 2008Qiao, Xie, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5 MSHP-5 MSHP-5MSBP-5
Column length (m) 50.60.30.30.25.
Carrier gas HeliumHeliumHGeliumHeHelium
Substrate      
Column diameter (mm) 0.320.320.250.320.32
Phase thickness (μm) 1.051.00.250.250.50
Program 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)40 0C (3 min) 10 0C/min -> 108 0C 3 0C/min -> 188 0C 4 0C/min -> 280 0C (5 min)60C(1min) => 1.5C => 185C => 9C/min => 275C (2min)60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)
I 1318.1306.1307.1308.1319.
ReferenceVentanas, Estevez, et al., 2008Liu, Xu, et al., 2007Kawaree, Phutdhawong, et al., 2006Singh G., Maurya S., et al., 2006Eyres, Dufour, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-5BP-5BP-5BP-5BP-5
Column length (m) 25.25.25.25.25.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (μm) 0.500.500.500.500.50
Program not specified60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)
I 1306.1311.1314.1319.1321.
ReferenceEyres, Dufour, et al., 2005Eyres, Dufour, et al., 2005Eyres, Dufour, et al., 2005Eyres, Dufour, et al., 2005Eyres, Dufour, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-5BP-5MDN-5Polydimethyl siloxane with 5 % Ph groupsSE-30
Column length (m) 25.25.30.  
Carrier gas HeliumHelium   
Substrate      
Column diameter (mm) 0.320.320.25  
Phase thickness (μm) 0.500.500.25  
Program 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)not specifiednot specifiednot specified
I 1325.1326.1310.1306.1290.
ReferenceEyres, Dufour, et al., 2005Eyres, Dufour, et al., 2005Jelen and Grabarkiewicz-Szczesna, 2005Pino, Marbot, et al., 2005Vinogradov, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54BPX-5HP-5Methyl phenyl siloxane (not specified)CP Sil 8 CB
Column length (m) 30.60.50. 60.
Carrier gas  HeHe  
Substrate      
Column diameter (mm) 0.320.320.32 0.25
Phase thickness (μm) 0.251.1.05 0.25
Program 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min)40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)not specifiednot specifiednot specified
I 1304.1310.1310.61309.1305.
ReferenceBuettner, Mestres, et al., 2003Machiels, van Ruth, et al., 2003David, Scanlan, et al., 2002Poligne, Collignan, et al., 2002Duckham, Dodson, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101CP Sil 5 CB5 % Phenyl methyl siloxaneRSL-150DB-1
Column length (m) 50.25. 60.60.
Carrier gas N2He He 
Substrate      
Column diameter (mm) 0.25  0.320.32
Phase thickness (μm)  0.39 0.250.25
Program not specifiednot specifiednot specified30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min)not specified
I 1287.1287.1289.1287.1285.
ReferenceYang, 2001Weyerstahl, Marschall, et al., 1998Sagrero-Nieves and Bartley, 1995Buchbauer, Nikiforov, et al., 1994Ciccioli, Cecinato, et al., 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase DB-1SE-54Methyl Silicone
Column length (m) 60.50. 
Carrier gas  He 
Substrate    
Column diameter (mm) 0.320.32 
Phase thickness (μm) 0.25  
Program 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0Cnot specified
I 1285.1308.1289.
ReferenceCiccioli, Brancaleoni, et al., 1993Um, Bailey, et al., 1992Grundschober, 1991
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.

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [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]

Kahriman, Tosun, et al., 2011
Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N., Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis, Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]

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]

Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O., Variability of non-polar secondary metabolites in the Red Alga Portieria, Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438 . [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]

Dib, Djabou, et al., 2010
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]

Kahriman, Tosun, et al., 2010
Kahriman, N.; Tosun, G.; Genc, H.; Yayli, N., Comparative essential oil analysis of Geranium sylvaticum estracted by hydrodistillation and microwave distillation, Turk. J. Chem., 2010, 34, 969-976. [all data]

Scandinaro, Tranchida, et al., 2010
Scandinaro, M.; Tranchida, P.Q.; Costa, R.; Dugo, P.; Mondello, L., Rapid Quality Control of Flavours and Fragrances using Fast GC-MS and Multi-MS Library Search Procedures, LCGC Europe, 2010, 23, 9, 456-464. [all data]

Custer, 2009
Custer, Y., GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]

Dharmawan, Kasapis, et al., 2009
Dharmawan, J.; Kasapis, S.; Sriramula, P.; Lear, M.J.; Curran, P., Evaluation of aroma-active compounds in Pontianak orange peel oil (Citrus nobilis Lour. var. microcarpa Hassk.) by gas chromatography - olfactometry, aroma reconstitution, and omission test, J. Agric. Food Chem., 2009, 57, 1, 239-244, https://doi.org/10.1021/jf801070r . [all data]

Riahi, Pourbasheer, et al., 2009
Riahi, S.; Pourbasheer, E.; Ganjali, M.R.; Norouzi, P., Investigation of different linear and non-linear chemometric methods for modeling of retention index of essential oil components: Concerns to support vector mashine, J. Hazard. Mat., 2009, 166, 2-3, 853-859, https://doi.org/10.1016/j.jhazmat.2008.11.097 . [all data]

se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J., Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways, J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061 . [all data]

Nogueira, Marcelo-Curto, et al., 2008
Nogueira, T.; Marcelo-Curto, M.J.; Cristina Figueiredo, A.; Barroso, J.G.; Pedro, L.G.; Rubiolo, P.; Bicchi, C., Chemotaxonomy of Hypericum genus from Portugal: Geographical distribution and essential oils composition of Hypericum perfoliatum, Hypericum humifusum, Hypericum linarifolium and Hypericum pulchrum, Biochem. Syst. Ecol., 2008, 36, 1, 40-50, https://doi.org/10.1016/j.bse.2007.07.004 . [all data]

Qiao, Xie, et al., 2008
Qiao, Y.; Xie, B.J.; Zhang, Y.; Zhang, Y.; FAn, G.; Yao, X.L.; Pan, S.Y., Characterization of aroma active compounds in fruit juice and peel oil of Junchen sweet orange fruit (Citrus sinensis (L.) Osbeck) by GC-MS and GC-O, Molecules, 2008, 13, 6, 1333-1344, https://doi.org/10.3390/molecules13061333 . [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]

Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H., Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques, Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x . [all data]

Kawaree, Phutdhawong, et al., 2006
Kawaree, R.; Phutdhawong, W.; Picha, P.; Ngamkham, J., Chemical compounds, anticancer and antioxidant activities of volatile oil from Piper sarmentosum Roxb., Polyscias fruticosa Harms. and Polygonum odoratum Lour., KMITI Sci. J., 2006, 6, 2b, 499-504. [all data]

Singh G., Maurya S., et al., 2006
Singh G.; Maurya S.; de Lampasona M.P.; Catalan C.A.N., Studies on essential oils, Part 41. Chemical composition, antifungal, antioxidant and sprout suppressant activities of coriander (Coriandrum sativum) essential oil and its oleoresin, Flavour Fragr. J., 2006, 21, 3, 472-479, https://doi.org/10.1002/ffj.1608 . [all data]

Eyres, Dufour, et al., 2005
Eyres, G.; Dufour, J.-P.; Hallifax, G.; Sotheeswaran, S.; Marriott, P.J., Identification of character-impact odorants in coriander and wild coriander leaves using gas chromatography-olfactometry (GCO) and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS), J. Sep. Sci., 2005, 28, 9-10, 1061-1074, https://doi.org/10.1002/jssc.200500012 . [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]

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

Buettner, Mestres, et al., 2003
Buettner, A.; Mestres, M.; Fischer, A.; Guasch, J.; Schieberle, P., Evaluation of the most odour-active compounds in the peel oil of clementines ( citrus reticulata blanco cv. clementine), Eur. Food Res. Technol., 2003, 216, 11-14. [all data]

Machiels, van Ruth, et al., 2003
Machiels, D.; van Ruth, S.M.; Posthumus, M.A.; Istasse, L., Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats, Talanta, 2003, 60, 4, 755-764, https://doi.org/10.1016/S0039-9140(03)00133-4 . [all data]

David, Scanlan, et al., 2002
David, F.; Scanlan, F.; Sandra, P.; Szelewski, M., Analysis of essential oil compounds using retention time locked methods and retention time databases, 2002, retrieved from http://www.chem.agilent.com. [all data]

Poligne, Collignan, et al., 2002
Poligne, I.; Collignan, A.; Trystram, G., Effects of salting, drying, cooking, and smoking operations on volatile compound formation and collor patterns in pork, Food Eng. Physical Properties, 2002, 67, 8, 2976-2986. [all data]

Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M., Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars, Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4 . [all data]

Yang, 2001
Yang, R., Analysis of the volatile components in peel oil of Yuzu by gas chromatography/mass spectrometry, Chin. J. Anal. Chem., 2001, 29, 3, 313-316. [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H., Constituents of commercial Labdanum oil, Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I . [all data]

Sagrero-Nieves and Bartley, 1995
Sagrero-Nieves, L.; Bartley, J.P., Volatile Constituents from the Leaves of Chenopodium ambrosioides L., J. Essent. Oil Res., 1995, 7, 2, 221-223, https://doi.org/10.1080/10412905.1995.9698506 . [all data]

Buchbauer, Nikiforov, et al., 1994
Buchbauer, G.; Nikiforov, A.; Remberg, B., Headspace constituents of opium, Planta Medica, 1994, 60, 2, 181-183, https://doi.org/10.1055/s-2006-959447 . [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]

Um, Bailey, et al., 1992
Um, K.W.; Bailey, M.E.; Clarke, A.D.; Chao, R.R., Concentration and identification of volatile compounds from heated beef fat using supercritical CO2 extraction-gas liquid chromatography/mass spectrometry, J. Agric. Food Chem., 1992, 40, 9, 1641-1646, https://doi.org/10.1021/jf00021a033 . [all data]

Grundschober, 1991
Grundschober, F., The identification of individual components in flavourings and flavoured foods, Z. Lebensm. Unters. Forsch., 1991, 192, 6, 530-534, https://doi.org/10.1007/BF01202508 . [all data]


Notes

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