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Butanoic acid, 2-methyl-, hexyl ester


Normal alkane RI, non-polar column, temperature ramp

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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 VF-5 MSHP-5HP-5 MSVF-5DB-5
Column length (m) 60.30.30.30.30.
Carrier gas HeliumHydrogenHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 40.70.60.60.45.
Tend (C) 250.290.250.300.250.
Heat rate (K/min) 4.5.2.10.3.
Initial hold (min) 2. 8.2.3.
Final hold (min)   15.10.5.
I 1195.1238.1283.1240.1239.
ReferenceSrisajjalerwaja, Apichartsrangkoon, et al., 2012Radulovic, Dordevic, et al., 2010Farhat, Ginies, et al., 2009Li and Zhao, 2009Porto, Decorti, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSHP-5 MSHP-5 MSRTX-5DB-1
Column length (m) 30.30.30.20.60.
Carrier gas HeliumHeliumHeliumHeliumNitrogen
Substrate      
Column diameter (mm) 0.250.250.250.180.25
Phase thickness (mum) 0.250.250.250.200.25
Tstart (C) 40.50.50.50.60.
Tend (C) 250.230.240.280.250.
Heat rate (K/min) 4.4.3.4.5.
Initial hold (min) 2.4. 1. 
Final hold (min) 5.10.  10.
I 1236.1234.1239.1240.1221.
ReferenceRaffo, Kelderer, et al., 2009Forero, Quijano, et al., 2008Sarikurkcu, Tepe, et al., 2008Skalicka-Wozniak, Los, et al., 2008Sonboli, Kanani, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase 5 % Phenyl methyl siloxaneHP-5RTX-5SilDB-5MSDB-5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumH2HeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 60.50.45.60.60.
Tend (C) 280.280.200.280.240.
Heat rate (K/min) 3.4.3.3.3.
Initial hold (min)  2.5.  
Final hold (min) 30.10. 30. 
I 1206.1234.1235.1190.1235.
ReferenceMarongiu, Piras, et al., 2006Pino, Sauri-Duch, et al., 2006Holland, Larkov, et al., 2005Marongiu, Piras, et al., 2004Maia, Zoghbi, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5MSOV-101OV-101
Column length (m) 30.30.50.50.
Carrier gas H2HeHe 
Substrate     
Column diameter (mm) 0.250.250.220.28
Phase thickness (mum) 0.250.251. 
Tstart (C) 40.60.100.80.
Tend (C) 280.240.220.200.
Heat rate (K/min) 4.3.1.2.
Initial hold (min)   1. 
Final hold (min)     
I 1234.1237.1218.1224.
ReferenceVelickovic, Randjelovic, et al., 2002Zoghbi, Andrade, et al., 1999Camciuc, Bessière, et al., 1998Anker, Jurs, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Srisajjalerwaja, Apichartsrangkoon, et al., 2012
Srisajjalerwaja, S.; Apichartsrangkoon, A.; Chaikham, P.; Chakrabandhu, Y.; Pathomrungsiyounggul, P.; Leksawasdi, N.; Supraditareporn, W.; Hirun, S., Color, capsaicin and volatile components of baked thai green chili (Capsicum anmuum Linn. var. Jak Ka Pat), J. Agricultural Sci., 2012, 4, 12, 75-84. [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M., Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae), J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R . [all data]

Farhat, Ginies, et al., 2009
Farhat, A.; Ginies, C.; Romdhane, M.; Chemat, F., Eco-friendly and cleaner process for isolation of essential oil usung microwave energy. Experimantal and theoretical study., J. Chromatogr. A., 2009, 1216, 26, 5077-5085, https://doi.org/10.1016/j.chroma.2009.04.084 . [all data]

Li and Zhao, 2009
Li, L.; Zhao, J., Determination of the volatile composition of Rhodobryum giganteum (Schwaegr.) Par. (Bryaceae) using solid-phase microextraction and gas chromatography / mass spectrometry (GC/MS), Molecules, 2009, 14, 6, 2195-2201, https://doi.org/10.3390/molecules14062195 . [all data]

Porto, Decorti, et al., 2009
Porto, C.Da.; Decorti, D.; Kikic, I., Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: comparison of three different extraction methods, Food Chem., 2009, 112, 4, 1072-1078, https://doi.org/10.1016/j.foodchem.2008.07.015 . [all data]

Raffo, Kelderer, et al., 2009
Raffo, A.; Kelderer, M.; Paoletti, F.; Zanella, A., Impact of innovative controlled atmosphere storage technologies and postharvest treatment on volatile compound production in Cv. Pinova apples, J. Agric. Food Chem., 2009, 57, 3, 915-923, https://doi.org/10.1021/jf802054y . [all data]

Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A., Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages, Flavour Fragr. J., 2008, 24, 1, 25-30, https://doi.org/10.1002/ffj.1913 . [all data]

Sarikurkcu, Tepe, et al., 2008
Sarikurkcu, C.; Tepe, B.; Daferera, D.; Polissiou, M.; Harmandar, M., Studies on the anioxidant activity of the essential oil and methanol extract of Marrubium globosum subsp. globosum (lamiaceae) by three different chemical assays, Bioresource Technol., 2008, 99, 10, 4239-4246, https://doi.org/10.1016/j.biortech.2007.08.058 . [all data]

Skalicka-Wozniak, Los, et al., 2008
Skalicka-Wozniak, K.; Los, R.; Glowniak, K.; Malm, A., Variation of the volatile content of the fruits of Peucedanum alsaticum L., Acta Chromatographica, 2008, 20, 1, 119-133, https://doi.org/10.1556/AChrom.20.2008.1.10 . [all data]

Sonboli, Kanani, et al., 2007
Sonboli, A.; Kanani, M.R.; Yousefzadi, M.; Mojarrad, M., Biological activity and composition of the essential oil of Tetrataenium nephrophyllum (Apiaceae) from Iran, Natural Product Communications, 2007, 2, 12, 1249-1252. [all data]

Marongiu, Piras, et al., 2006
Marongiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.; Maxia, A., Isolation of Seseli bocconi Guss. volatile oil by supercritical carbon dioxide extraction, Natural Product Research, 2006, 20, 9, 820-826, https://doi.org/10.1080/14786410500364684 . [all data]

Pino, Sauri-Duch, et al., 2006
Pino, J.; Sauri-Duch, E.; Marbot, R., Changes in volatile compounds of Habanero chile pepper (Capsicum chinense Jack. cv. Habanero) at two ripening stages, Food Chem., 2006, 94, 3, 394-398, https://doi.org/10.1016/j.foodchem.2004.11.040 . [all data]

Holland, Larkov, et al., 2005
Holland, D.; Larkov, O.; Bar-Ya'akov, I.; Bar, E.; Zax, A.; Brandeis, E.; Ravid, U.; Lewinsohn, E., Developmental and varietal differences in volatile ester formation and acetyl-CoA: alcohol acetyl transferase activities in apple (Malus domestica Borkh.) fruit, J. Agric. Food Chem., 2005, 53, 18, 7198-7203, https://doi.org/10.1021/jf050519k . [all data]

Marongiu, Piras, et al., 2004
Marongiu, B.; Piras, A.; Porcedda, S., Comparative analysis of the oil and supercritical CO2 extract of Elettaria cardamomum (L.) maton, J. Agric. Food Chem., 2004, 52, 20, 6278-6282, https://doi.org/10.1021/jf034819i . [all data]

Maia, Zoghbi, et al., 2002
Maia, J.G.S.; Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.L.; Luz, A.I.R.; da Silva, J.D., Essential oils composition of Eupatorium species growing wild in the Amazon, Biochem. Syst. Ecol., 2002, 30, 11, 1071-1077, https://doi.org/10.1016/S0305-1978(02)00059-5 . [all data]

Velickovic, Randjelovic, et al., 2002
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Smelcerovic, A.A.; Velickovic, A.S., Chemical composition and antimicrobial action of the ethanol extracts of Salvia pratensis L., Salvia glutinosa L. and Salvia aethiopis L., J. Serb. Chem. Soc., 2002, 67, 10, 639-646, https://doi.org/10.2298/JSC0210639V . [all data]

Zoghbi, Andrade, et al., 1999
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S., Volatile constituents from leaves and flowers of Alpinia speciosa K. Schum. and A. purpurata (Viell.) Schum., Flavour Fragr. J., 1999, 14, 6, 411-414, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<411::AID-FFJ854>3.0.CO;2-U . [all data]

Camciuc, Bessière, et al., 1998
Camciuc, M.; Bessière, J.M.; Vilarem, G.; Gaset, A., Volatile components in okra seed coat, Phytochemistry, 1998, 48, 2, 311-315, https://doi.org/10.1016/S0031-9422(97)01127-8 . [all data]

Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A., Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups, Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006 . [all data]


Notes

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