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Butanal, 3-methyl-

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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 MSVF-5 MSVF-5 MSVF-5 MSDB-5 MS
Column length (m) 30.60.60.60.25.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.320.20
Phase thickness (mum) 0.250.250.250.250.33
Tstart (C) 35.40.30.30.40.
Tend (C) 250.250.260.260.250.
Heat rate (K/min) 10.4.2.2.10.
Initial hold (min) 3.2.  1.
Final hold (min) 5. 28.28. 
I 638.654.645.651.662.
ReferenceGoeminne, Vandendriessche, et al., 2012Srisajjalerwaja, Apichartsrangkoon, et al., 2012Leffingwell and Alford, 2011Leffingwell and Alford, 2011Majcher, Lawrowski, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5 MSDB-5 MSHP-5 MSMega 5 MSSPB-5
Column length (m) 30.30.30.60.60.
Carrier gas HeliumHeliumHeliumHelium 
Substrate      
Column diameter (mm) 0.320.320.250.250.32
Phase thickness (mum) 0.250.250.250.251.00
Tstart (C) 40.40.35.40.40.
Tend (C) 230.250.195.240.230.
Heat rate (K/min) 6.6.2.3.3.
Initial hold (min) 2.2.5.2.5.
Final hold (min) 20.20.30. 10.
I 621.645.646.630.653.
ReferenceChen, Song, et al., 2009Chen, Song, et al., 2009Kim and Chung, 2009Romeo, Verzera, et al., 2009Sivadier, Ratel, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5 MSHP-5 MSHP-5RTX-5SLB-5MS
Column length (m) 30.30.10.30.10.
Carrier gas HeliumHeliumHeliumHeHelium
Substrate      
Column diameter (mm) 0.250.320.100.250.18
Phase thickness (mum) 0.250.500.400.250.18
Tstart (C) 40.50.40.40.40.
Tend (C) 250.250.280.250.295.
Heat rate (K/min) 4.5.20.20.10.
Initial hold (min) 2. 1.5.1.5
Final hold (min) 2.5.1.  
I 659.697.654.663.658.
ReferenceSu, Wang, et al., 2009Sylla, Berge, et al., 2009Mildner-Szkudlarz and Jelen, 2008Pham, Schilling, et al., 2008Risticevic, Carasek, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-55 % Phenyl methyl siloxane5 % Phenyl methyl siloxaneSPB-5HP-1
Column length (m) 60.30.30.60.50.
Carrier gas  HeHe N2
Substrate      
Column diameter (mm) 0.320.250.250.320.2
Phase thickness (mum) 1.1.1.1.0.33
Tstart (C) 40.40.40.40.60.
Tend (C) 205.250.250.230.250.
Heat rate (K/min) 4.7.7.3.2.
Initial hold (min) 5.10.10.5. 
Final hold (min) 5.5.5.5.20.
I 652.647.647.655.640.
ReferenceBerdague, Tournayre, et al., 2007Ramirez R. and Cava R., 2007Ramirez R. and Cava R., 2007Vasta, Ratel, et al., 2007Berlioz, Cordella, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5HP-5HP-1
Column length (m) 60.60.30.30.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.2
Phase thickness (mum)   1.0.250.5
Tstart (C) 60.50.40.50.60.
Tend (C) 250.250.250.300.250.
Heat rate (K/min) 4.4.4.5.2.
Initial hold (min) 5.5.2.5. 
Final hold (min)   15.5.60.
I 651.644.629.678.640.
ReferenceFadel, Mageed, et al., 2006Fadel, Mageed, et al., 2006, 2Fan and Qian, 2006Figuérédo, Cabassu, et al., 2006Bendimerad and Bendiab, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5HP-5MDN-5MDN-5
Column length (m) 30.30.60.60.60.
Carrier gas N2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 40.50.30.40.40.
Tend (C) 250.300.260.270.270.
Heat rate (K/min) 4.5.2.4.4.
Initial hold (min) 2.5.2.4.4.
Final hold (min) 5.5.28.5.5.
I 629.678.661.0658.660.
ReferenceFan and Qian, 2005Figuérédo, Cabassu, et al., 2005Leffingwell and Alford, 2005van Loon, Linssen, et al., 2005van Loon, Linssen, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SPB-5SPB-15 % Phenyl methyl siloxaneDB-5
Column length (m) 30.30.50.0.30.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.250.250.20.250.25
Phase thickness (mum) 0.250.250.331.0.25
Tstart (C) 60.60.50.40.60.
Tend (C) 220.250.220.250.280.
Heat rate (K/min) 4.4.4.7.4.
Initial hold (min) 5.2.3.10.10.
Final hold (min)  20.30.5.40.
I 650.650.613.654.650.
ReferenceMorteza-Semnani, Akbarzadeh, et al., 2005Pino, Marbot, et al., 2005Wong and Tan, 2005Ramírez, Estévez, et al., 2004Pino, Marbot, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5SPB-1SPB-1HP-5DB-5
Column length (m) 60.30.30.50.30.
Carrier gas HeliumHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.320.32
Phase thickness (mum) 1.00.250.251.050.25
Tstart (C) 30.40.40.40.40.
Tend (C) 230.200.200.200.230.
Heat rate (K/min) 3.3.3.5.6.
Initial hold (min)  10.10.10.2.
Final hold (min)    5.10.
I 657.626.637.649.646.
ReferenceSebastian, Viallon-Fernandez, et al., 2003Vichi, Castellote, et al., 2003Vichi, Pizzale, et al., 2003Andrés, Cava, et al., 2002Czerny and Schieberle, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5SE-54DB-5MSDB-5AT-1
Column length (m) 30.25.30.60. 
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.250.200.530.32 
Phase thickness (mum)  0.501.51. 
Tstart (C) 50.35.40.40.50.
Tend (C) 200.250.225.200.300.
Heat rate (K/min) 3.5.6.3.10.
Initial hold (min)  2.5.5.2.
Final hold (min)   30.  
I 689.659.654.651.639.
ReferenceIsidorov and Jdanova, 2002Bellesia, Pinetti, et al., 2001Cadwallader and Heo, 2001Joffraud, Leroi, et al., 2001Kelling, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSDB-5MSHP-5OV-101Methyl Silicone
Column length (m) 60.50.60.50.60.
Carrier gas HeHeHeNitrogen 
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (mum) 0.25 1. 0.25
Tstart (C) 40.40.40.40.40.
Tend (C) 200.220.240.200.220.
Heat rate (K/min) 2.5.3.2.5.
Initial hold (min) 5.5. 10.10.
Final hold (min) 30.5.   
I 651.652.652.628.624.57
ReferenceLee, Suriyaphan, et al., 2001Welty, Marshall, et al., 2001García, Martín, et al., 2000Tamura, Boonbumrung, et al., 2000Baraldi, Rapparini, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5SE-54SPB-5DB-1
Column length (m) 30. 25.50.60.
Carrier gas    He 
Substrate      
Column diameter (mm) 0.32 0.310.320.25
Phase thickness (mum) 1.0.25 0.25 
Tstart (C) 40.34.35.60.30.
Tend (C) 200.200.250.240.200.
Heat rate (K/min) 3.5.4.3.4.
Initial hold (min) 5.3.3. 25.
Final hold (min)  10. 20.20.
I 649.664.648.649.627.
ReferenceMeynier, Novelli, et al., 1999Schlüter, Steinhart, et al., 1999Ding, Deng, et al., 1998Doneanu and Anitescu, 1998Buttery, Ling, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-1DB-1SE-54
Column length (m) 60.60.30.30.25.
Carrier gas   HeHeHe
Substrate      
Column diameter (mm) 0.320.320.20.320.2
Phase thickness (mum) 1.1.0.250.50.5
Tstart (C) 40.40.50.35.35.
Tend (C) 200.200.200.200.250.
Heat rate (K/min) 3.3.4.10.5.
Initial hold (min) 5.5.2.1.2.
Final hold (min) 2.2.   
I 650.654.634.635.659.
ReferenceKondjoyan, Viallon, et al., 1997Kondjoyan, Viallon, et al., 1997Rapior, Breheret, et al., 1997Robacker and Bartelt, 1997Bellesia, Pinetti, et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1RTX-5RTX-5DB-1OV-101
Column length (m) 60.30.30.60.50.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.520.520.320.22
Phase thickness (mum)  1.51.5  
Tstart (C) 30.5.5.30.80.
Tend (C) 200.230.230.200.200.
Heat rate (K/min) 4.6.6.4.2.
Initial hold (min) 25.  25. 
Final hold (min) 20.  20. 
I 627.653.653.627.649.
ReferenceButtery and Ling, 1995Milo and Grosch, 1995Milo and Grosch, 1995Buttery, Stern, et al., 1994Egolf and Jurs, 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 HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 50.50.50.50.40.
Tend (C) 240.240.240.240.250.
Heat rate (K/min) 3.3.5.5.2.
Initial hold (min) 5.5.3.3.5.
Final hold (min)      
I 622.628.619.628.659.
ReferenceShiota, 1993Shiota, 1993Shiota, 1993Shiota, 1993Lee, Macku, et al., 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5OV-101OV-101DB-1HP-5
Column length (m) 60.50.50.60.50.
Carrier gas HeHe HeH2
Substrate      
Column diameter (mm) 0.250.320.280.250.3
Phase thickness (mum)  0.5   
Tstart (C) 40.50.80.30.80.
Tend (C) 160.250.200.200.250.
Heat rate (K/min) 2.4.2.4.16.
Initial hold (min) 5.  25. 
Final hold (min)    5. 
I 663.638.649.627.625.
ReferenceMacku and Shibamoto, 1991Misharina, Golovnya, et al., 1991Anker, Jurs, et al., 1990Buttery, Teranishi, et al., 1990Spadone, Takeoka, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-1DB-1DB-1OV-101
Column length (m) 50.60.60.50.50.
Carrier gas H2   He
Substrate      
Column diameter (mm) 0.30.320.320.320.31
Phase thickness (mum)  0.250.25  
Tstart (C) 80.50.50.0.0.
Tend (C) 250.250.250.250.225.
Heat rate (K/min) 16.4.4.3.3.
Initial hold (min)     1.
Final hold (min)      
I 632.627.627.632.630.
ReferenceSpadone, Takeoka, et al., 1990Flath, Matsumoto, et al., 1989Flath, Matsumoto, et al., 1989Habu, Flath, et al., 1985del Rosario, de Lumen, et al., 1984
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase SF96+IgepalSF96+IgepalSE-30OV-1
Column length (m) 213.213.50.183.
Carrier gas   HeN2
Substrate     
Column diameter (mm) 0.70.70.50.762
Phase thickness (mum)     
Tstart (C) 45.45.40.0.
Tend (C) 200.200.170.230.
Heat rate (K/min) 2.2.3.1.
Initial hold (min) 30.30.3. 
Final hold (min)     
I 632.635.628.633.
ReferenceLorenz, Stern, et al., 1983Lorenz, Stern, et al., 1983Heydanek and McGorrin, 1981Schreyen, Dirinck, et al., 1979
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.

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
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Majcher, Lawrowski, et al., 2010
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Su, Wang, et al., 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]

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Pham, Schilling, et al., 2008
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Fadel, Mageed, et al., 2006, 2
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Leffingwell and Alford, 2005
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van Loon, Linssen, et al., 2005
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Morteza-Semnani, Akbarzadeh, et al., 2005
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Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of genipap (Genipa americana L.) fruit from Cuba, Flavour Fragr. J., 2005, 20, 6, 583-586, https://doi.org/10.1002/ffj.1491 . [all data]

Wong and Tan, 2005
Wong, K.C.; Tan, C.H., Volatile constituents of the flowers of Clerodendron fragrans (Vent.) R. Br., Flavour Fragr. J., 2005, 20, 4, 429-430, https://doi.org/10.1002/ffj.1457 . [all data]

Ramírez, Estévez, et al., 2004
Ramírez, M.R.; Estévez, M.; Morcuende, D.; Cava, R., Effect of the type of frying culinary fat on volatile compounds isolated in fried pork loin chops by using SPME-GC-MS, J. Agric. Food Chem., 2004, 52, 25, 7637-7643, https://doi.org/10.1021/jf049207s . [all data]

Pino, Marbot, et al., 2003
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Sebastian, Viallon-Fernandez, et al., 2003
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Notes

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