2-Heptanone

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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 Optima-5 MSDB-5VF-5 MSVF-5 MSVF-5 MS
Column length (m) 30.25.60.60.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.200.320.320.25
Phase thickness (μm) 0.250.330.250.250.25
Tstart (C) 35.50.30.30.40.
Tend (C) 250.240.260.260.250.
Heat rate (K/min) 10.20.2.2.5.
Initial hold (min) 3.1.  3.
Final hold (min) 5. 28.28.3.
I 889.875.890.892.893.
ReferenceGoeminne, Vandendriessche, et al., 2012Cais-Sokolinska, Majcher, et al., 2011Leffingwell and Alford, 2011Leffingwell and Alford, 2011Liu, Lu, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101RTX-1HP-5 MSDB-5 MSDB-5 MS
Column length (m) 25.60.30.30.30.
Carrier gas NitrogenHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.200.220.320.320.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.60.50.40.40.
Tend (C) 240.230.240.230.250.
Heat rate (K/min) 6.2.4.6.6.
Initial hold (min)   2.2.2.
Final hold (min)  30.10.20.20.
I 869.871.895.885.877.
ReferenceZenkevich, Eliseenkov, et al., 2011Dib, Djabou, et al., 2010Pino, Marquez, et al., 2010Chen, Song, et al., 2009Chen, Song, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5HP-5 MSHP-5 MSDB-1HP-5
Column length (m) 60.30.30.30.10.
Carrier gas  HeliumHeliumHeHelium
Substrate      
Column diameter (mm) 0.320.250.250.250.10
Phase thickness (μm) 1.000.250.250.250.40
Tstart (C) 40.50.50.30.40.
Tend (C) 230.280.230.210.280.
Heat rate (K/min) 3.4.4.5.20.
Initial hold (min) 5. 4. 1.
Final hold (min) 10. 10. 1.
I 890.890.891.866.897.
ReferenceSivadier, Ratel, et al., 2009Zhao, Zeng, et al., 2009Forero, Quijano, et al., 2008Kumazawa, Itobe, et al., 2008Mildner-Szkudlarz and Jelen, 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54VF-5MS5 % Phenyl methyl siloxane5 % Phenyl methyl siloxaneHP-1
Column length (m) 30.30.30.30.50.
Carrier gas Helium HeHeN2
Substrate      
Column diameter (mm) 0.250.250.250.250.2
Phase thickness (μm) 0.250.251.1.0.33
Tstart (C) 60.40.40.40.60.
Tend (C) 260.250.250.250.250.
Heat rate (K/min) 2.7.7.7.2.
Initial hold (min) 5. 10.10. 
Final hold (min) 20. 5.5.20.
I 889.880.891.891.859.
ReferenceAlma, Ertas, et al., 2007Ghiasvand, Setkova, et al., 2007Ramirez R. and Cava R., 2007Ramirez R. and Cava R., 2007Berlioz, Cordella, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1HP-1HP-5HP-5Ultra-2
Column length (m) 50.50.30.30.50.
Carrier gas HeHeHeH2He
Substrate      
Column diameter (mm) 0.20.20.250.250.25
Phase thickness (μm) 0.50.330.250.250.32
Tstart (C) 60.60.35.50.50.
Tend (C) 250.250.200.280.270.
Heat rate (K/min) 2.2.3.4.2.
Initial hold (min)   5.2. 
Final hold (min) 120.60. 10. 
I 871.866.892.889.891.
ReferenceCastel, Fernandez, et al., 2006Fernandez, Pintaric, et al., 2006Isidorov, Purzynska, et al., 2006Pino, Sauri-Duch, et al., 2006Schlumpberger B.O., Clery R.A., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SPB-1HP-1DB-5BPX-5
Column length (m) 30.50.50.30.25.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.20.20.250.22
Phase thickness (μm) 0.250.330.50.250.25
Tstart (C) 40.50.60.60.50.
Tend (C) 260.220.250.240.320.
Heat rate (K/min) 2.4.2.3.5.
Initial hold (min) 5.1.  5.
Final hold (min) 20.10.60.  
I 889.869.868.889.905.
ReferenceSenatore, Landolfi, et al., 2006Wong, Lim, et al., 2006Bendimerad and Bendiab, 2005Chaverri and Cicció, 2005Dickschat, Martens, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSHP-5MDN-5DB-5SPB-5
Column length (m) 30.60.60.30.30.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 38.30.40.60.60.
Tend (C) 220.260.270.220.250.
Heat rate (K/min) 5.2.4.4.4.
Initial hold (min) 1.2.4.4.2.
Final hold (min) 2.28.5. 20.
I 888.893.7889.893.889.
ReferenceKrist, Stuebiger, et al., 2005Leffingwell and Alford, 2005van Loon, Linssen, et al., 2005Morteza-Semnani and Saeedi, 2005Pino, Marbot, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase 5 % Phenyl methyl siloxaneHP-5DB-5SPB-5DB-5
Column length (m) 0.25.60.30.30.
Carrier gas HeN2HeHeH2
Substrate      
Column diameter (mm) 0.250.20.250.320.25
Phase thickness (μm) 1.0.50.250.250.25
Tstart (C) 40.30.35.40.60.
Tend (C) 250.280.280.220.280.
Heat rate (K/min) 7.3.5.5.4.
Initial hold (min) 10. 2.1.10.
Final hold (min) 5. 4.20.40.
I 888.891.893.891.890.
ReferenceRamírez, Estévez, et al., 2004Shafi, Nambiar, et al., 2004Dhanda, Pegg, et al., 2003Ledauphin, Guichard, et al., 2003Pino, Marbot, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5SPB-1SPB-1HP-5BPX-5
Column length (m) 60.30.30.50. 
Carrier gas HeliumHeHeHe 
Substrate      
Column diameter (mm) 0.320.250.250.32 
Phase thickness (μm) 1.00.250.251.05 
Tstart (C) 30.40.40.40.40.
Tend (C) 230.200.200.200.260.
Heat rate (K/min) 3.3.3.5.5.
Initial hold (min)  10.10.10. 
Final hold (min)    5. 
I 889.867.872.888.890.
ReferenceSebastian, Viallon-Fernandez, et al., 2003Vichi, Castellote, et al., 2003Vichi, Pizzale, et al., 2003Andrés, Cava, et al., 2002Diaz and Kite, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5DB-5SPB-5DB-5MSHP-5
Column length (m) 60.60.60.50.60.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (μm) 1.1.1. 1.
Tstart (C) 40.40.40.40.40.
Tend (C) 200.200.200.220.240.
Heat rate (K/min) 3.3.3.5.3.
Initial hold (min) 5.5. 5. 
Final hold (min) 5.  5. 
I 890.888.888.896.891.
ReferencePérès, Begnaud, et al., 2002Joffraud, Leroi, et al., 2001Poligné, Collignan, et al., 2001Welty, Marshall, et al., 2001García, Martín, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl SiliconeDB-5HP-5SE-54SPB-5
Column length (m) 60.30.50.25.50.
Carrier gas     He
Substrate      
Column diameter (mm) 0.250.320.320.310.32
Phase thickness (μm) 0.251.0.52 0.25
Tstart (C) 40.40.35.35.60.
Tend (C) 220.200.250.250.240.
Heat rate (K/min) 5.3.2.4.3.
Initial hold (min) 10.5.15.3. 
Final hold (min)   45. 20.
I 871.95889.891.877.886.
ReferenceBaraldi, Rapparini, et al., 1999Meynier, Novelli, et al., 1999Boylston and Viniyard, 1998Ding, Deng, et al., 1998Doneanu and Anitescu, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1DB-1DB-5DB-5DB-1
Column length (m) 25.60.60.60.30.
Carrier gas     He
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (μm)   1.1.0.5
Tstart (C) 35.30.40.40.35.
Tend (C) 250.200.200.200.200.
Heat rate (K/min) 4.4.3.3.10.
Initial hold (min)  25.5.5.1.
Final hold (min)  20.2.2. 
I 865.865.888.888.872.
ReferenceOng, Acree, et al., 1998Buttery, Ling, et al., 1997Kondjoyan, Viallon, et al., 1997Kondjoyan, Viallon, et al., 1997Robacker and Bartelt, 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1HP-5HP-5DB-1Cross-Linked Methylsilicone
Column length (m) 60.  60.25.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.25  0.320.32
Phase thickness (μm)      
Tstart (C) 30.35.35.30.35.
Tend (C) 200.200.200.200.225.
Heat rate (K/min) 4.6.6.4.4.
Initial hold (min) 25.2.2.25.3.
Final hold (min) 20.  20. 
I 865.891.892.865.868.
ReferenceButtery and Ling, 1995Larsen and Frisvad, 1995Larsen and Frisvad, 1995, 2Buttery, Stern, et al., 1994Bravo 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) 4.3.3.3.3.
Initial hold (min) 3.  5.5.
Final hold (min) 30.    
I 884.891.891.864.867.
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 DB-1DB-1DB-1DB-1DB-5
Column length (m) 30.30.30.30.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (μm) 0.250.251.01.01.0
Tstart (C) 50.50.40.40.40.
Tend (C) 240.240.250.250.240.
Heat rate (K/min) 5.5.3.3.3.
Initial hold (min) 3.3.   
Final hold (min)   30.30. 
I 864.867.867.867.889.
ReferenceShiota, 1993Shiota, 1993Peppard, 1992Peppard, 1992Berdague, Denoyer, et al., 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HG-5DB-5DB-5DB-5OV-101
Column length (m) 50.60.60.60.50.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (μm) 0.520.25  0.5
Tstart (C) 35.40.40.40.50.
Tend (C) 250.250.160.160.250.
Heat rate (K/min) 3.2.2.2.4.
Initial hold (min) 15.5.5.5. 
Final hold (min) 45.    
I 893.891.893.893.863.
ReferenceDrumm and Spanier, 1991Lee, Macku, et al., 1991Macku and Shibamoto, 1991Macku and Shibamoto, 1991, 2Misharina, Golovnya, et al., 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101OV-101DB-1DB-1OV-101
Column length (m) 54.50.60.60.50.
Carrier gas Helium   N2
Substrate      
Column diameter (mm) 0.260.280.320.320.25
Phase thickness (μm)   0.250.25 
Tstart (C) 50.80.50.50.80.
Tend (C) 240.200.250.250.200.
Heat rate (K/min) 5.2.4.4.2.
Initial hold (min) 0.    
Final hold (min) 0.    
I 870.872.865.865.871.
ReferenceZenkevich and Ventura, 1991Anker, Jurs, et al., 1990Flath, Matsumoto, et al., 1989Flath, Matsumoto, et al., 1989Sugisawa, Yamamoto, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1DB-1OV-101DB-1
Column length (m) 30.50.50.50.60.
Carrier gas Hydrogen  He 
Substrate      
Column diameter (mm) 0.350.320.320.310.32
Phase thickness (μm) 1.0    
Tstart (C) 45.0.50.0.50.
Tend (C) 220.250.250.225.250.
Heat rate (K/min) 2.3.3.3.4.
Initial hold (min)    1.0.1
Final hold (min)     5.
I 902.864.864.868.864.
ReferenceGeorgilopoulos and Gallois, 1988Habu, Flath, et al., 1985Habu, Flath, et al., 1985del Rosario, de Lumen, et al., 1984Flath, Mon, et al., 1983
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SP 2100SE-30SE-30SE-30OV-1
Column length (m) 40.50.50. 183.
Carrier gas Helium HeHeliumN2
Substrate      
Column diameter (mm) 0.200.50.5 0.762
Phase thickness (μm)      
Tstart (C) 40.40.40.70.0.
Tend (C) 200.170.170.170.230.
Heat rate (K/min) 10.3.3.2.1.
Initial hold (min)  3.3.  
Final hold (min)      
I 860.867.867.883.870.
ReferenceLabropoulos, Palmer, et al., 1982Heydanek and McGorrin, 1981Heydanek and McGorrin, 1981, 2Alves and Jennings, 1979Schreyen, Dirinck, et al., 1979
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase SF-96
Column length (m) 111.
Carrier gas Nitrogen
Substrate  
Column diameter (mm) 0.76
Phase thickness (μm)  
Tstart (C)  
Tend (C) 130.
Heat rate (K/min) 3.
Initial hold (min) 8.
Final hold (min) 40.
I 873.
ReferenceDonetzhuber, Johansson, et al., 1976
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.

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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Zhao, C.; Zeng, Y.; Wan, M.; Li, R.; Liang, Y.; Li, C.; Zeng, Z.; Chau, F.-T., Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC-MS and chemometric resolution methods, J. Sep. Sci., 2009, 32, 4, 660-670, https://doi.org/10.1002/jssc.200800484 . [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]

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Notes

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