2-Undecanone

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Normal alkane RI, non-polar column, temperature ramp

Go To: Top, References, Notes

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 RTX-1RTX-1Optima-5 MSHP-5VF-5 MS
Column length (m) 60.60.30.30.60.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.220.220.250.320.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.35.60.30.
Tend (C) 230.230.250.240.260.
Heat rate (K/min) 2.2.10.3.2.
Initial hold (min)   3.2. 
Final hold (min) 5.5.5. 28.
I 1273.1273.1292.1296.1294.
ReferenceBendiabdellah, El Amine Dib, et al., 2012Bendiabdellah, El Amine Dib, et al., 2012Goeminne, Vandendriessche, et al., 2012Kahriman, Tosun, et al., 2011Leffingwell and Alford, 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-5 MSVF-5 MSHP-5RTX-1HP-5
Column length (m) 60.30.30.60.30.
Carrier gas HeliumHeliumHydrogenHeliumHelium
Substrate      
Column diameter (mm) 0.320.250.250.220.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 30.40.50.60.60.
Tend (C) 260.250.250.230.240.
Heat rate (K/min) 2.5.5.2.3.
Initial hold (min)  3.5. 2.
Final hold (min) 28.3.5.30. 
I 1294.1296.1294.1273.1296.
ReferenceLeffingwell and Alford, 2011Liu, Lu, et al., 2011Abderrahim, Belhamel, et al., 2010Dib, Djabou, et al., 2010Kahriman, Tosun, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1-MSSPB-5DB-5HP-5 MSSLB-5 MS
Column length (m) 60.60.30.30.30.
Carrier gas Helium NitrogenHeliumHelium
Substrate      
Column diameter (mm) 0.250.320.250.320.25
Phase thickness (μm) 0.251.000.250.500.25
Tstart (C) 30.40.60.50.50.
Tend (C) 200.230.220.250.250.
Heat rate (K/min) 2.3.5.5.3.
Initial hold (min) 4.5.3. 2.
Final hold (min) 35.10.5.5.10.
I 1270.1297.1302.1298.1292.
ReferenceTakeoka, Hobbs, et al., 2010Sivadier, Ratel, et al., 2009Soleimani and Azar, 2009Sylla, Berge, et al., 2009Lo Presti, Sciarrone, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5HP-5MSZB-5DB-5
Column length (m) 30.30.30.30.30.
Carrier gas HeHeliumHe He
Substrate      
Column diameter (mm) 0.260.260.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.60.60.60.
Tend (C) 240.290.250.220.320.
Heat rate (K/min) 3.3.2.4.10.
Initial hold (min)   8.5. 
Final hold (min)   15.20.4.
I 1291.1291.1273.1303.1288.
ReferenceBos, Woerdenbag, et al., 2007Elfami, Bos, et al., 2007Ferhat, Tigrine-Kordjani, et al., 2007Mohottalage, Tabacchi, et al., 2007Smelcerovic, Spiteller, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5BP-1HP-1DB-5CP Sil 5 CB
Column length (m) 60.50.50.30.30.
Carrier gas   HeHeliumN2
Substrate      
Column diameter (mm) 0.320.220.20.260.32
Phase thickness (μm) 1.0.250.50.250.25
Tstart (C) 40.60.60.60.50.
Tend (C) 230.220.250.290.300.
Heat rate (K/min) 3.2.2.3.4.
Initial hold (min) 5.    
Final hold (min) 5.20.120.  
I 1296.1272.1273.1291.1276.
ReferenceVasta, Ratel, et al., 2007Boti, Yao, et al., 2006Castel, Fernandez, et al., 2006Elfami, Komar, et al., 2006Lis and Milczarek, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5DB-5Ultra-2BPX-5
Column length (m) 30.30.30.50.50.
Carrier gas HeliumHydrogenHydrogenHe 
Substrate      
Column diameter (mm) 0.320.250.250.250.22
Phase thickness (μm) 0.250.250.250.321.
Tstart (C) 40.70.70.50.70.
Tend (C) 240.280.280.270.280.
Heat rate (K/min) 4.4.4.2.4.
Initial hold (min)  4.4.  
Final hold (min) 5.   4.
I 1291.1291.1291.1295.1305.
ReferenceMiyazawa and Kawata, 2006Pino, Marbot, et al., 2006Pino, Marbot, et al., 2006Schlumpberger B.O., Clery R.A., et al., 2006Wohlmuth, Smith, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1BPX5BPX5DB-5HP-5MS
Column length (m) 50.25.25.30.30.
Carrier gas HeHeHeliumHe 
Substrate      
Column diameter (mm) 0.20.200.220.250.2
Phase thickness (μm) 0.50.130.250.25 
Tstart (C) 60.50.50.40.60.
Tend (C) 250.230.320.280.280.
Heat rate (K/min) 2.3.5.8.3.
Initial hold (min)  2.5.  
Final hold (min) 60.    
I 1272.1295.1302.1301.1291.
ReferenceBendimerad and Bendiab, 2005Boustie, Rapior, et al., 2005Dickschat, Bode, et al., 2005Jelén, Krawczyk, et al., 2005Petrakis, Roussis, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSHP-5MSHP-5SE-54RTX-1
Column length (m) 30.30.30.30.30.
Carrier gas He HeliumHeN2
Substrate      
Column diameter (mm) 0.250.250.320.250.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.40.40.60.60.
Tend (C) 280.220.250.260.300.
Heat rate (K/min) 3.3.5.2.4.
Initial hold (min) 5.5.2.5. 
Final hold (min)  10.5.  
I 1296.1282.1277.1292.1275.
ReferenceSetzer, Noletto, et al., 2005Vichi, Riu-Aumatell, et al., 2005N/AKilic, Hafizoglu, et al., 2004Lis, Boczek, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-55 % Phenyl methyl siloxaneSPB-5
Column length (m) 30.30.50.0.30.
Carrier gas  HeliumHeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (μm) 0.25  1.0.25
Tstart (C) 40.60.60.40.40.
Tend (C) 210.240.240.250.220.
Heat rate (K/min) 2.2.2.7.5.
Initial hold (min) 2.  10.1.
Final hold (min) 33.999.999.5.20.
I 1296.1292.1292.1282.1293.
ReferenceLopez Arze, Collin, et al., 2004Miyazawa, Fuhita, et al., 2004Miyazawa, Fujita, et al., 2004Ramírez, Estévez, et al., 2004Ledauphin, Guichard, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5DB-1DB-5OV-101DB-5
Column length (m) 60.60.25.25.30.
Carrier gas HeliumHeN2 He
Substrate      
Column diameter (mm) 0.320.250.250.320.25
Phase thickness (μm) 1.00.250.25 0.25
Tstart (C) 30.50.50.50.60.
Tend (C) 230.280.250.200.280.
Heat rate (K/min) 3.4.4.5.3.
Initial hold (min)      
Final hold (min)   10. 30.
I 1293.1273.1292.1278.1290.
ReferenceSebastian, Viallon-Fernandez, et al., 2003Shahmir, Ahmadi, et al., 2003Zrira, Elamrani, et al., 2003Boyom, Keumedjio, et al., 2002Caredda, Marongiu, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSDB-5MSDB-5RTX-5HP-1
Column length (m) 30.30.30.20.25.
Carrier gas HeHeHeHeN2
Substrate      
Column diameter (mm) 0.250.250.250.180.2
Phase thickness (μm) 0.250.250.250.40.11
Tstart (C) 60.60.60.20.60.
Tend (C) 280.280.250.290.190.
Heat rate (K/min) 3.3.3.40.2.5
Initial hold (min)    3.53.
Final hold (min)    0.51.
I 1298.1298.1287.1294.1274.
ReferenceCongiu, Falconieri, et al., 2002Congiu, Falconieri, et al., 2002Limberger, Simões-Pires, et al., 2002Sies A., Hirsch R., et al., 2002Kovacevic and Kac, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-5HP-5 MSOptima-1SPB-5SE-54
Column length (m) 30.30.25.60.25.
Carrier gas HeHeliumHeHe 
Substrate      
Column diameter (mm) 0.250.250.200.250.31
Phase thickness (μm) 0.250.250.250.25 
Tstart (C) 60.50.50.70.35.
Tend (C) 150.250.250.240.250.
Heat rate (K/min) 1.5.3.5.4.
Initial hold (min) 3.2.3.8.3.
Final hold (min)  5. 20. 
I 1295.1288.1288.1295.1295.
ReferenceKovacevic and Kac, 2001Shang, Hu, et al., 2001de Beck, Bessière, et al., 2000Kim, Kim, et al., 2000Ding, Deng, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBDB-1DB-1DB-1Cross-Linked Methylsilicone
Column length (m) 25.60.60.60.25.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (μm) 0.120.25 0.25 
Tstart (C) 80.50.30.80.35.
Tend (C) 275.250.200.210.225.
Heat rate (K/min) 5.2.54.3.4.
Initial hold (min) 2.5.25. 3.
Final hold (min) 10. 20.  
I 1271.1270.1273.1269.1274.
ReferenceRycroft, Cole, et al., 1998Stashenko, Puertas, et al., 1996Buttery and Ling, 1995Nishimura, 1995Bravo and Hotchkiss, 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Ultra-2DB-5DB-5DB-1DB-1
Column length (m) 50.30.30.30.30.
Carrier gas HeH2H2HeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (μm) 0.521.1.0.250.25
Tstart (C) 40.40.40.50.50.
Tend (C) 250.220.220.240.240.
Heat rate (K/min) 4.3.3.5.5.
Initial hold (min) 3.  3.3.
Final hold (min) 30.    
I 1284.1295.1298.1272.1275.
ReferenceKing, Hamilton, et al., 1993Moio, Dekimpe, et al., 1993Moio, Dekimpe, et al., 1993Shiota, 1993Shiota, 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54DB-5Ultra-1OV-101OV-101
Column length (m) 30.60.25.54.50.
Carrier gas Hydrogen HeHelium 
Substrate      
Column diameter (mm) 0.250.250.320.260.28
Phase thickness (μm) 0.250.250.25  
Tstart (C) 60.40.80.50.80.
Tend (C) 250.250.260.240.200.
Heat rate (K/min) 2.2.3.5.2.
Initial hold (min) 5.5. 0. 
Final hold (min) 2.  0. 
I 1292.1294.1271.1289.1276.
ReferenceKollmannsberger, Nitz, et al., 1992Lee, Macku, et al., 1991Okumura, 1991Zenkevich and Ventura, 1991Anker, Jurs, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-1DB-1SE-30OV-3DB-1
Column length (m) 25.60.10.150.50.
Carrier gas      
Substrate      
Column diameter (mm) 0.330.320.250.660.32
Phase thickness (μm)      
Tstart (C) 45.50.20.20.0.
Tend (C) 180.250.200.170.250.
Heat rate (K/min) 3.4.4.1.3.
Initial hold (min) 3.0.1   
Final hold (min)  5.   
I 1273.1273.1268.1310.1272.
ReferenceWyllie, Brophy, et al., 1990Binder and Flath, 1989Yaacob, Abdullah, et al., 1989Buttery, Xu, et al., 1985Habu, Flath, et al., 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase SP 2100
Column length (m) 40.
Carrier gas Helium
Substrate  
Column diameter (mm) 0.20
Phase thickness (μm)  
Tstart (C) 40.
Tend (C) 200.
Heat rate (K/min) 10.
Initial hold (min)  
Final hold (min)  
I 1249.
ReferenceLabropoulos, Palmer, et al., 1982
Comment 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.

Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A., Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria, Chem. Centr. J., 2012, 6, 48, 1-22. [all data]

Goeminne, Vandendriessche, et al., 2012
Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J., Detection of Pseudomonas aeruginosa in sputum headspace through volatile organic compound analysis, Respiratory Res., 2012, 13, 87, 1-9. [all data]

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Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

Liu, Lu, et al., 2011
Liu, S.; Lu, S.; Su, Y.; Guo, Y., Analysis of volatile compounds in Radix Bupleuri injection by GC-MS-MS, Chromatographia, 2011, 74, 5-6, 497-502, https://doi.org/10.1007/s10337-011-2082-7 . [all data]

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Sivadier, Ratel, et al., 2009
Sivadier, G.; Ratel, J.; Engel, E., Latency and persistence of diet volatile biomarkers in lamb fats, J. Agric. Food Chem., 2009, 57, 2, 645-652, https://doi.org/10.1021/jf802467q . [all data]

Soleimani and Azar, 2009
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Sylla, Berge, et al., 2009
Sylla, K.S.B.; Berge, J.-P.; Prost, C.; Musabyemariya, B.; Seydi, M., Sensory and aromatic characteristics of tongue sole by-products hydrolysates (Cynoglossus senegalensis), Microbiologie et Hygiene Alimentarie, 2009, 21, 60, 35-43. [all data]

Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L., Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil, Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878 . [all data]

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Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T., Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria, J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u . [all data]

Boustie, Rapior, et al., 2005
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Dickschat, Bode, et al., 2005
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Petrakis, Roussis, et al., 2005
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Notes

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