Benzene, 1-methyl-4-(1-methylethenyl)-

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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 VF-5 MSVF-5 MSDB-15 % Phenyl methyl siloxaneZB-1
Column length (m) 60.60.60.60.30.
Carrier gas HeliumHeliumNitrogenHeliumNitrogen
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 30.30.60.90.45.
Tend (C) 260.260.250.225.230.
Heat rate (K/min) 2.2.5.3.3.
Initial hold (min)      
Final hold (min) 28.28. 3. 
I 1091.1092.1073.1092.1066.
ReferenceLeffingwell and Alford, 2011Leffingwell and Alford, 2011Meshkatalsadat, Safaei-Ghomi. J., et al., 2010Retta, Gattuso, et al., 2009Mierendorff, Stahl-Biskup, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1HP-5MSCP Sil 5 CBBP-1SPB-1
Column length (m) 30.30.25.50.30.
Carrier gas HeHeHeHeHelium
Substrate      
Column diameter (mm) 0.20.25 0.220.20
Phase thickness (μm) 0.20.25 0.250.20
Tstart (C) 70.60.80.60.70.
Tend (C) 220.280.270.220.220.
Heat rate (K/min) 3.3.10.2.3.
Initial hold (min)      
Final hold (min) 15.  20.15.
I 1070.1058.1075.1069.1071.
ReferencePinto, Salgueiro, et al., 2007Tzakou, Bazos, et al., 2007Ayoub, Al-Azizi, et al., 2006Boti, Muselli, et al., 2006Cavaleiro, Pinto, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-1HP-5DB-5DB-5DB-5
Column length (m) 50.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.220.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.50.60.60.50.
Tend (C) 220.300.240.240.250.
Heat rate (K/min) 2.5.5.5.3.
Initial hold (min)  5.2.2. 
Final hold (min) 20.5.  10.
I 1072.1091.1064.1064.1090.
ReferenceFanciullino, Tomi, et al., 2006Figuérédo, Cabassu, et al., 2006Gohari, Hadjiakhoondi, et al., 2006Gohari A.R., Hadjiakhoondi A., et al., 2006Havlik, Kokoska, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5 MSHP-5DB-1DB-5
Column length (m) 30.30.30.50.30.
Carrier gas HeliumNitrogenN2N2Hydrogen
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.520.250.25
Tstart (C) 60.50.50.95.70.
Tend (C) 260.280.280.240.280.
Heat rate (K/min) 3.5.5.4.4.
Initial hold (min)     4.
Final hold (min)  5.5.  
I 1081.1071.1071.1084.1088.
ReferenceJavidnia, Miri, et al., 2006Marzouk, Mansour, et al., 2006Marzouk, Neffati, et al., 2006Pala-Paul J., Perez-Alonso M.J., et al., 2006Pino, Marbot, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5MSMethyl SiliconeHP-1HP-1
Column length (m) 30.30.25.50.50.
Carrier gas HydrogenHeN2He 
Substrate      
Column diameter (mm) 0.250.250.30.20.2
Phase thickness (μm) 0.250.250.150.50.25
Tstart (C) 70.60.50.60.60.
Tend (C) 280.280.210.250.250.
Heat rate (K/min) 4.3.2.2.2.
Initial hold (min) 4. 5. 60.
Final hold (min)    60. 
I 1088.1056.1097.1074.1071.
ReferencePino, Marbot, et al., 2006Pitarokili, Tzakou, et al., 2006Tonzibo, Coffy, et al., 2006Bendimerad and Bendiab, 2005Fernandez, Lizzani-Cuvelier, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-1CP Sil 5 CBHP-5MSDB-5
Column length (m) 30.30.25.30.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.150.250.25
Tstart (C) 50.50.50.60.60.
Tend (C) 300.265.230.275.230.
Heat rate (K/min) 5.2.53.4.3.
Initial hold (min) 5.1.   
Final hold (min) 5.30.  20.
I 1091.1066.1077.1090.1091.
ReferenceFiguérédo, Cabassu, et al., 2005Khalighi-Sigaroodi, Hadijiakhoondi, et al., 2005Ogunwande, Olawore, et al., 2005Sajjadi and Ghannadi, 2005Skoula and Grayer, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1BP-1SE-52DB-5MSDB-1
Column length (m) 50.50.25.30.60.
Carrier gas He N2HeN2
Substrate      
Column diameter (mm) 0.20.220.320.250.25
Phase thickness (μm) 0.330.250.150.250.25
Tstart (C) 50.60.45.60.80.
Tend (C) 220.220.200.280.210.
Heat rate (K/min) 4.2.3.3.3.
Initial hold (min) 3. 5.  
Final hold (min) 30.20.30.30.15.
I 1072.1071.1083.1060.1077.
ReferenceWong, Lee, et al., 2005Blanc, Muselli, et al., 2004Cakir, Kordali, et al., 2004Marongiu, Piras, et al., 2004Ueno, Masuda, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RSL-200CP Sil 5 CBDB-5ZB-1OV-101
Column length (m) 30.25.50.30.50.
Carrier gas H2HeHeN2He
Substrate      
Column diameter (mm) 0.320.250.20.250.2
Phase thickness (μm) 0.250.250.250.250.5
Tstart (C) 40.35.50.45.50.
Tend (C) 280.280.220.230.250.
Heat rate (K/min) 6.5.3.3.2.
Initial hold (min) 5.2.52.  
Final hold (min) 5.    
I 1082.1071.1088.1066.1074.
ReferenceJirovetz, Buchbauer, et al., 2003Kanjilal, Kotoky, et al., 2003Masotti, Juteau, et al., 2003Mierendorff, Stahl-Biskup, et al., 2003Orav, Kailas, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101DB-1DB-5DB-5DB-5
Column length (m) 50.50.30.30.25.
Carrier gas HeN2H2HeN2
Substrate      
Column diameter (mm) 0.20.250.250.250.25
Phase thickness (μm) 0.50.250.250.250.25
Tstart (C) 50.95.60.60.50.
Tend (C) 250.240.280.240.250.
Heat rate (K/min) 2.4.4.3.4.
Initial hold (min)   10.  
Final hold (min)   40. 10.
I 1070.1078.1090.1088.1091.
ReferenceOrav, Kailas, et al., 2003Perez-Alonso, Velasco-Negueruela, et al., 2003Pino, Marbot, et al., 2003Zoghbi, Andrade, et al., 2003Zrira, Elamrani, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5OV-101HP-5DB-5MS
Column length (m) 30.30.50.30.30.
Carrier gas HeHeHeN2He
Substrate      
Column diameter (mm) 0.250.250.20.250.25
Phase thickness (μm) 0.250.250.50.250.25
Tstart (C) 60.60.50.60.60.
Tend (C) 240.240.250.220.240.
Heat rate (K/min) 3.3.2.5.3.
Initial hold (min)    10. 
Final hold (min)      
I 1091.1089.1072.1091.1079.
ReferenceFlamini, Ertugrul, et al., 2002Maia, da Silva, et al., 2002Orav, Kailas, et al., 2002Campeol, Flamini, et al., 2001Cherchi, Deidda, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5RTX-1BP-1OV-101OV-101
Column length (m) 30.30.50.50.25.
Carrier gas N2N2HeN2N2
Substrate      
Column diameter (mm) 0.250.250.220.250.20
Phase thickness (μm) 0.250.250.25  
Tstart (C) 60.60.60.80.60.
Tend (C) 220.300.230.200.240.
Heat rate (K/min) 5.4.2.2.4.
Initial hold (min) 10.    
Final hold (min)   35.  
I 1091.1078.1072.1076.1076.
ReferenceGallori, Flamini, et al., 2001Kalemba, Marschall, et al., 2001Lota, de Rocca Serra, et al., 2001Yang, 2001Zenkevich, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1OV-101SE-30SE-30
Column length (m) 30.25.50.25.25.
Carrier gas HeNitrogenNitrogenHeHe
Substrate      
Column diameter (mm) 0.250.500.250.20.2
Phase thickness (μm) 0.250.25   
Tstart (C) 60.60.40.60.60.
Tend (C) 240.220.200.230.230.
Heat rate (K/min) 3.5.2.3.3.
Initial hold (min)   10. 10.
Final hold (min)      
I 1089.1075.1072.1079.1079.
ReferenceMaia, Zoghbi, et al., 2000Mallavarapu, Rao, et al., 2000Tamura, Boonbumrung, et al., 2000Ali N.A.M. and Jantan, 1999Mohd and Jantan, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5OV-101SPB-5DB-1HP-5
Column length (m) 30.25.50.  
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.250.200.32  
Phase thickness (μm) 0.25 0.25  
Tstart (C) 40.80.60.80.40.
Tend (C) 250.240.240.220.210.
Heat rate (K/min) 2.6.3.6.2.
Initial hold (min) 5.    
Final hold (min) 60. 20.  
I 1071.1074.1090.1059.1097.
ReferencePorta, Porcedda, et al., 1999Zenkevich, Kosman, et al., 1999Doneanu and Anitescu, 1998Salgueiro, Vila, et al., 1997Collin, Deslauriers, et al., 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBSE-54OV-101OV-101BP-1
Column length (m) 25.30.50.50.50.
Carrier gas  HydrogenN2N2H2
Substrate      
Column diameter (mm) 0.250.250.250.250.30
Phase thickness (μm)  0.25   
Tstart (C) 60.60.80.80.40.
Tend (C) 280.250.200.200.250.
Heat rate (K/min) 5.2.2.2.10.
Initial hold (min)  5.  1.
Final hold (min)  2.   
I 1078.1088.1078.1080.1075.
ReferenceKaul, Singh, et al., 1993Kollmannsberger, Nitz, et al., 1992Yang and Sugisawa, 1990Yang and Sugisawa, 1990Brophy, Davies, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase OV-101OV-101SE-30SF-96
Column length (m) 50.50.100.111.
Carrier gas N2N2N2Nitrogen
Substrate     
Column diameter (mm) 0.250.250.250.76
Phase thickness (μm)     
Tstart (C) 80.80.45. 
Tend (C) 200.200.250.130.
Heat rate (K/min) 2.2.4.3.
Initial hold (min)   1.8.
Final hold (min)    40.
I 1072.1080.1080.1076.
ReferenceSugisawa, Yang, et al., 1989Sugisawa, Yang, et al., 1989Peacock and Kuneman, 1985Donetzhuber, Johansson, et al., 1976
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.

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]

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Meshkatalsadat, M.H.; Safaei-Ghomi. J.; Moharramipour, S.; Nasseri, M., Chemical characterization of volatile components of Tagetes minuta L. cultivated in South West of Iran by nano scale injection, Digest J. Nanomaterials Biostructures, 2010, 5, 1, 101-106. [all data]

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Retta, D.; Gattuso, M.; Gattuso, S.; Lira, P. Di Leo; van Baren, C.; Ferraro, G.; Bandoni A., Essential oil composition of Achyrocline flaccida (Weinm.) DC. (Asteraceae) from different locations of Argentina, Biochem. Systematics Ecol., 2009, 36, 12, 877-881, https://doi.org/10.1016/j.bse.2008.11.001 . [all data]

Mierendorff, Stahl-Biskup, et al., 2008
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A., Composition of commercial Cape chamomile oil (Eriocephalus punctuatus / Eriocephalus tenuifolius), 2008, retrieved from http://www.chemische-analysen-hamburg.de/Publikationen?CapeChamomileOil/. [all data]

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Boti, J.B.; Muselli, A.; Tomi, F.; Koukoua, G.; N'Guessan, T.Y.; Costa, J.; Casanova, J., Combined analysis of Cymbopogon giganteus Chiov. leaf oil from Ivory Coast by GC/RI, GC/MS and 13C-NMR, C.R. Chim., 2006, 9, 1, 164-168, https://doi.org/10.1016/j.crci.2005.10.003 . [all data]

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Cavaleiro, C.; Pinto, E.; Gonsales, M.J.; Salguero, L., Antifungal activity of Juniperus essential oils agains dermatophyte, Asrgillus and Candida strains, J. Appl. Microbiol., 2006, 100, 6, 1333-1338, https://doi.org/10.1111/j.1365-2672.2006.02862.x . [all data]

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Fanciullino, A.-L.; Tomi, F.; Luro, F.; Desjobert, J.M.; Casanova, J., Chemical variability of peel and leaf oils of mandarins, Flavour Fragr. J., 2006, 21, 2, 359-367, https://doi.org/10.1002/ffj.1658 . [all data]

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Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B., Studies of Mediterranean oregano populations. VIII. Chemical composition of essential oils of oreganos of various origins, Flavour Fragr. J., 2006, 21, 1, 134-139, https://doi.org/10.1002/ffj.1543 . [all data]

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Figuérédo, Cabassu, et al., 2005
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Khalighi-Sigaroodi, Hadijiakhoondi, et al., 2005
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Ogunwande, Olawore, et al., 2005
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Skoula and Grayer, 2005
Skoula, M.; Grayer, R.J., Volatile oils of Coridothymus capitatus, Satureja thymbra, Satureja spinosa and Thymbra calostachya (Lamiaceae) from Crete, Flavour Fragr. J., 2005, 20, 6, 573-576, https://doi.org/10.1002/ffj.1489 . [all data]

Wong, Lee, et al., 2005
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Blanc, Muselli, et al., 2004
Blanc, M.-C.; Muselli, A.; Bradesi, P.; Casanova, J., Chemical composition and variability of the essential oil of Inula graveolens from Corsica, Flavour Fragr. J., 2004, 19, 4, 314-319, https://doi.org/10.1002/ffj.1304 . [all data]

Cakir, Kordali, et al., 2004
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Marongiu, Piras, et al., 2004
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Ueno, Masuda, et al., 2004
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Notes

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