Benzene, 4-ethyl-1,2-dimethyl-

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Mass spectrum (electron ionization)

Go To: Top, Gas Chromatography, 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

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NIST MS number 20914

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Gas Chromatography

Go To: Top, Mass spectrum (electron ionization), 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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-1100.1076.5Zhu, Zhang, et al., 1999Column length: 50. m; Column diameter: 0.25 mm
CapillaryCP Sil 280.1078.6Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillaryHP-160.1062.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.1062.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-1100.1074.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-1100.1075.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-1100.1074.6Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm
CapillaryOV-1120.1080.6Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm
CapillaryOV-1100.1074.7Matisová and Kurán, 199052. m/0.25 mm/0.38 μm, N2
CapillaryOV-1100.1074.5Matisová and Kurán, 199052. m/0.25 mm/0.38 μm, H2
CapillaryPONA100.1075.8Matisová and Kurán, 199050. m/0.2 mm/0.5 μm, H2
CapillaryOV-101100.1074.Matisová, Kovacicová, et al., 1989He; Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101120.1081.Matisová, Moravcová, et al., 1988N2; Column length: 278. m; Column diameter: 0.25 mm
CapillaryApolane120.1100.Matisová, Moravcová, et al., 1988N2; Column length: 200. m; Column diameter: 0.25 mm
CapillaryOV-101100.1074.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillaryOV-101100.1075.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillaryOV-101100.1075.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillaryOV-101100.1075.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillarySE-3070.1066.1Tóth, 1983N2; Column length: 15. m; Column diameter: 0.25 mm
CapillarySqualane86.1069.5Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane100.1073.Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillarySqualane80.1064.95Soják and Rijks, 1976H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane100.1079.Mitra, Mohan, et al., 1974H2; Column length: 50. m; Column diameter: 0.2 mm
CapillarySE-3065.1066.0Svob and Deur-Siftar, 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySqualane100.1072.0Svob and Deur-Siftar, 1974He; Column length: 10.5 m; Column diameter: 0.25 mm

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51083.5Wang, Fingas, et al., 199430. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C
CapillaryDB-51094.Ramarathnam, Rubin, et al., 1993He, 30. C @ 2. min, 10. K/min, 280. C @ 3. min; Column length: 30. m; Column diameter: 0.13 mm
CapillaryOV-1011068.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L1104.Louis, 1971N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH-1001075.25Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
CapillaryDB-11075.Hoekman, 199360. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M150.1325.Egazaryants and Maximov, 1998He; Column length: 15. m; Column diameter: 0.5 mm
CapillaryCarbowax 20M150.1328.Egazaryants and Maximov, 1998He; Column length: 15. m; Column diameter: 0.5 mm
CapillaryPEG-20M70.1357.2Tóth, 1983N2; Column length: 30. m; Column diameter: 0.3 mm
CapillaryCarbowax 20M100.1350.5Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillaryCarbowax 20M90.1332.3Döring, Estel, et al., 1974Column length: 100. m; Column diameter: 0.2 mm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPetrocol DH1076.8Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryDB-51092.5Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryPONA1067.1Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryPONA1070.3Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryUltra-11069.Olson, Sinkevitch, et al., 19924. K/min; Tstart: -40. C; Tend: 230. C
CapillaryPetrocol DH1069.99White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1070.74White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1071.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryOV-1011068.Hayes and Pitzer, 1981108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-51085.Engel, Baty, et al., 200230. m/0.25 mm/0.25 μm, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min)
CapillaryMethyl Silicone1091.78Hassoun, Pilling, et al., 199950. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1379.Le Guen, Prost, et al., 200060. m/0.32 mm/0.5 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min
CapillarySupelcowax-101330.Chung, 199960. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax1371.Shimoda, Wu, et al., 199660. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax1364.Shimoda, Shigematsu, et al., 199560. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax1354.Shiratsuchi, Shimoda, et al., 199460. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30100.1076.Vodenkova, Leol'ko, et al., 2005He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101100.1070.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101120.1077.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB1079.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryHP-5 MS1082.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryPetrocol DH1075.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryVF-5 MS1088.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS1089.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryOV-11069.Orav, Kailas, et al., 19992. K/min; Tstart: 50. C; Tend: 160. C
CapillaryOV-1011070.Orav, Kailas, et al., 1999, 250. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillaryHP-51091.Wang and Fingas, 199530. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min
CapillaryDB-11064.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
CapillaryCP Sil 5 CB1067.Hartgers, Damste, et al., 199225. m/0.32 mm/0.45 μm, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min
CapillaryOV-1011075.Zenkevich and Ventura, 1991Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1088.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1089.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1093.Robinson, Adams, et al., 2012Program: not specified
CapillaryHP-51078.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
CapillaryHP-51085.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: not specified
CapillaryHP-5MS1083.Vichi, Pizzale, et al., 200530. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
CapillaryPolymethylsiloxane, (PMS-20000)1066.Cornwell and Cordano, 2003Program: not specified
CapillaryMethyl Silicone1075.Spieksma, 1999Program: not specified
CapillaryHP-51095.Timón, Ventanas, et al., 199850. m/0.32 mm/0.52 μm, He; Program: 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)
CapillarySE-301066.Xiuhua, Zhang, et al., 1996Program: not specified
CapillarySE-301073.Xiuhua, Zhang, et al., 1996Program: not specified
CapillaryOV-1011074.Matisová, Juranyiová, et al., 199152. m/0.25 mm/0.38 μm, H2; Program: 70 - 160 C at 1.5 deg/min; 160 - 280 C at 15 deg/min 15 min at 280 C
CapillaryOV-11075.8Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C 2)2nd 30m column isothermal 100C
CapillaryOV-11081.6Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C.
CapillaryOV-11078.1Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 6C/min 60-120C. 2) 2nd 30m column isothermal 120C.
CapillaryOV-11080.2Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1)1st 30m column temp ramp 3C/min 60-120 2)2nd 30m column isothermal 120C
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1068.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1070.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M90.1332.Sutter, Peterson, et al., 1997 

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1362.Umano, Hagi, et al., 200060. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101355.Vichi, Pizzale, et al., 200530. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
CapillaryCarbowax 20M1357.Cornwell and Cordano, 2003Program: not specified
CapillaryCarbowax 20M1332.Ivanciuc, Ivanciuc, et al., 2001Program: not specified
CapillaryPEG-20M1357.Xiuhua, Zhang, et al., 1996Program: not specified

References

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Zhu, Zhang, et al., 1999
Zhu, X.; Zhang, L.; Chen, J.; Wang, L.; Che, X., The application quantitative structure-retention relationship of GC to aid MS qualitative analysis, Chin. J. Chromatogr., 1999, 17, 4, 351-353. [all data]

Estel, Mohnke, et al., 1995
Estel, D.; Mohnke; Biermans; Rotzsche, The analysis of C4-C11 hydrocarbons in naphtha and reformate with a new apolar fused silica column, J. Hi. Res. Chromatogr., 1995, 18, 7, 403-412, https://doi.org/10.1002/jhrc.1240180703 . [all data]

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Engewald and Maurer, 1990
Engewald, W.; Maurer, T., Enhanced possibilities for identification by the use of series-coupled capillary gas chromatographic columns. I. General exposition and application of the retention index concept, J. Chromatogr., 1990, 520, 3-13, https://doi.org/10.1016/0021-9673(90)85078-A . [all data]

Matisová and Kurán, 1990
Matisová, E.; Kurán, P., Reproducibility of retention indices measurement of alkylbenzenes on crosslinked methyl silicone phase fused silica capillaries, Chromatographia, 1990, 30, 5/6, 328-332, https://doi.org/10.1007/BF02319717 . [all data]

Matisová, Kovacicová, et al., 1989
Matisová, E.; Kovacicová, E.; Ha, P.T.; Kolek, E.; Engewald, W., Identification of alkylbenzenes up to C12 by capillary gas chromatography-mass spectrometry. II. Retention indices on OV-101 columns and retention-molecular structure correlations, J. Chromatogr., 1989, 475, 2, 113-123, https://doi.org/10.1016/S0021-9673(01)89667-9 . [all data]

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Matisová, E.; Moravcová, A.; Krupcík; Cellár, P.; Leclercq, P.A., Problems with the reproducibility of retention data on capillary columns with hydrocarbon C87 as the stationary phase, J. Chromatogr., 1988, 454, 65-71, https://doi.org/10.1016/S0021-9673(00)88602-1 . [all data]

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Tóth, 1983
Tóth, T., Use of capillary gas chromatography in collecting retention and chemical information for the analysis of complex petrochemical mixtures, J. Chromatogr., 1983, 279, 157-165, https://doi.org/10.1016/S0021-9673(01)93614-3 . [all data]

Nabivach and Kirilenko, 1979
Nabivach, V.M.; Kirilenko, A.V., The use of retention indices for identifying the components of crude benzene, Solid Fuel Chem. (Engl. Transl.), 1979, 13, 3, 82-87. [all data]

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Engewald, W.; Wennrich, L., Molekülstruktur und Retentionsverhalten. VIII. Zum Retentionsverhalten höherer Alkylbenzole bei der Gas-Verteilungs-Chromatographie, Chromatographia, 1976, 9, 11, 540-547, https://doi.org/10.1007/BF02275960 . [all data]

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Soják, L.; Rijks, J.A., Capillary gas chromatography of alkylbenzenes. I. Some problems encountered with the precision of the retention indcies of alkylbenzenes, J. Chromatogr., 1976, 119, 505-521, https://doi.org/10.1016/S0021-9673(00)86812-0 . [all data]

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Hayes, P.C., Jr.; Pitzer, E.W., Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]

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Notes

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