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Phenanthrene, 1-methyl-

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Phase change data

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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: William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltavap20.2 ± 0.33kcal/molCGCHanshaw, Nutt, et al., 2008 

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
18.2398.GCLei, Chankalal, et al., 2002Based on data from 323. - 473. K.

Gas phase ion energetics data

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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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
7.70 ± 0.03EINounou, 1966RDSH
7.7 ± 0.03EIBonnier, Gelus, et al., 1965RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C13H9+15.8 ± 0.2?EINounou, 1966RDSH
C15H9+18.0 ± 0.2H2+HEINounou, 1966RDSH
C15H10+14.7 ± 0.2H2EINounou, 1966RDSH
C15H11+13.1 ± 0.1HEINounou, 1966RDSH

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chemical Concepts
NIST MS number 155122

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source missing citation
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 9061
Instrument Beckman DK2
Melting point 122-123

Gas Chromatography

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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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-11901.2Zhang, Shen, et al., 200025. m/0.2 mm/0.33 «mu»m, 5. K/min; Tstart: 100. C; Tend: 180. C
CapillaryDB-51944.Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillarySE-521883.Beernaert, 1979He, 50. C @ 5. min, 6. K/min; Column length: 33.3 m; Column diameter: 0.50 mm; Tend: 320. C
CapillarySE-521890.Carugno and Rossi, 1967N2, 1.8 K/min; Column length: 65. m; Column diameter: 0.3 mm; Tstart: 100. C; Tend: 300. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone1888.Oda, Ichikawa, et al., 1996Program: 50C (2min) => 20C/min => 160C => 5C/min => 210C => 10C/min => 300C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-11929.Lazarevic, Palic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
CapillaryOV-11896.Asif and Fazeelat, 2006Nitrogen, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 290. C

Lee's RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS323.59Sun, Zhou, et al., 200830. m/0.25 mm/0.25 «mu»m, 50. C @ 2. min, 6. K/min, 300. C @ 16. min
Capillary5 % Phenyl methyl siloxane323.90Skrbic and Onjia, 20062. K/min; Tstart: 50. C; Tend: 250. C
Capillary5 % Phenyl methyl siloxane323.60Skrbic and Onjia, 200680. C @ 2. min, 8. K/min, 300. C @ 10. min
CapillaryHP-5323.79Pedersen, Durant, et al., 200530. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
CapillaryHP-5323.52Marynowski, Pieta, et al., 200460. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-5MS323.67Chen, Keeran, et al., 200230. m/0.25 mm/0.5 «mu»m, 40. C @ 1. min, 4. K/min; Tend: 310. C
CapillaryPTE-5323.92Wang, Jia, et al., 200030. m/0.25 mm/0.25 «mu»m, 60. C @ 1.5 min, 8. K/min, 300. C @ 12.5 min
CapillaryDB-5324.21Williams and Horne, 1995He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C
CapillaryDB-5323.78Wang, Fingas, et al., 199430. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 6. K/min; Tend: 300. C
CapillarySPB-5323.7Knobloch and Engewald, 199340. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C
CapillaryCP Sil 8 CB323.9Bundt, Herbel, et al., 199150. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillaryDB-5324.0Palmentier, Britten, et al., 198980. C @ 1. min, 3.5 K/min, 300. C @ 10. min; Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-5323.52Wise, Benner, et al., 198830. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryDB-5323.79Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillarySE-52323.64Vassilaros, Kong, et al., 198220. m/0.30 mm/0.25 «mu»m, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C
CapillarySE-52323.90Lee, Vassilaros, et al., 197912. m/0.3 mm/0.34 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5321.1Fuentes, Font, et al., 2007Column length: 60. m; Program: not specified
CapillaryHP-5MS323.54Wang, Li, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 6C/min => 258C => 2C/min => 300C(4min)
CapillaryHP-5MS323.52Wang, Li, et al., 2007, 230. m/0.25 mm/0.25 «mu»m, He; Program: not specified
CapillaryHP-5MS323.54Wang, Li, et al., 2007, 230. m/0.25 mm/0.25 «mu»m, He; Program: not specified
CapillaryHP-5MS323.78Wang, Li, et al., 2007, 230. m/0.25 mm/0.25 «mu»m, He; Program: not specified
Capillary5 % Phenyl methyl siloxane320.00Skrbic and Onjia, 2006Program: 70 0C (2 min) 30 0C/min -> 150 0C 5 0C/min -> 200 0C 4 0C/min -> 310 0C (5 min)
CapillaryHP-5MS338.91Cheng, Liu, et al., 200530. m/0.30 mm/0.25 «mu»m, He; Program: 50 0C (2 min) 8 0C/min -> 120 0C (3 min) 10 0C/min -> 230 0C
CapillaryUltra-1323.3Sremac, Skrbic, et al., 200550. m/0.32 mm/0.50 «mu»m, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
CapillaryUltra-1323.3Sremac, Skrbic, et al., 200550. m/0.32 mm/0.50 «mu»m, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
CapillaryUltra-1323.9Sremac, Skrbic, et al., 200550. m/0.32 mm/0.50 «mu»m, Nitrogen; Program: 40-100 0C 3-15 0C/min -> 290 0C
CapillaryDB-5323.6Lundstedt, Haglund, et al., 200330. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryDB-5322.61Zamperlini, Silva, et al., 199730. m/0.25 mm/0.25 «mu»m, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min)
CapillaryDB-5323.6Paschke, Herbel, et al., 199230. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (3 min) 10 0C/min -> 100 0C (3 min) 5 0C/min -> 300 0C
CapillaryCP Sil 8 CB323.6Bundt, Herbel, et al., 199150. m/0.25 mm/0.25 «mu»m, He; Program: not specified
CapillaryCP Sil 8 CB324.6Bundt, Herbel, et al., 199150. m/0.25 mm/0.25 «mu»m, He; Program: not specified
CapillaryDB-5319.96Takada, Onda, et al., 1990He; Program: 70C(2min) => 30C/min => 150C => 5C/min => 200C => 4C/min => 310C
CapillaryDB-5323.90Naikwadi, Charbonneau, et al., 1987Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryDB-5323.91Naikwadi, Charbonneau, et al., 1987Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-101323.8Tucminen, Wickstrom, et al., 1986Program: not specified
CapillarySE-52321.28Shlyakhov, 1984Program: not specified
CapillarySE-52321.43Shlyakhov, 1984Program: not specified
CapillarySE-52323.90Shlyakhov, 1984Program: not specified

References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

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

Hanshaw, Nutt, et al., 2008
Hanshaw, William; Nutt, Marjorie; Chickos, James S., Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons, J. Chem. Eng. Data, 2008, 53, 8, 1903-1913, https://doi.org/10.1021/je800300x . [all data]

Lei, Chankalal, et al., 2002
Lei, Ying Duan; Chankalal, Raymond; Chan, Anita; Wania, Frank, Supercooled Liquid Vapor Pressures of the Polycyclic Aromatic Hydrocarbons, J. Chem. Eng. Data, 2002, 47, 4, 801-806, https://doi.org/10.1021/je0155148 . [all data]

Nounou, 1966
Nounou, P., Etude des composes aromatiques par spectrometrie de masse. I. Mesure des potentials d'ionisation et d'apparition par la methode du potential retardateur et interpretation des courbes d'ionisation differentielle, J. Chim. Phys., 1966, 63, 994. [all data]

Bonnier, Gelus, et al., 1965
Bonnier, J.-M.; Gelus, M.; Nounou, P., Contribution a l'etude de l'effet inductif et de l'effet d'hyperconjugaison dans quelques methylaromatiques, J. Chim. Phys., 1965, 10, 1191. [all data]

Zhang, Shen, et al., 2000
Zhang, M.-J.; Shen, S.-D.; Chen, S.-Y.; Sun, Y.-H., Analysis of heavy oil fractions in high-temperature coal tar by capillary gas chromatography/fourier transform infrared spectrometry, Chin. J. Chromatogr., 2000, 18, 3, 241-246. [all data]

Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603 . [all data]

Beernaert, 1979
Beernaert, H., Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons, J. Chromatogr., 1979, 173, 1, 109-118, https://doi.org/10.1016/S0021-9673(01)80450-7 . [all data]

Carugno and Rossi, 1967
Carugno, N.; Rossi, S., Evaluation of polynuclear hydrocarbons in cigarette smoke by glass capillary columns, J. Gas Chromatogr., 1967, 5, 2, 103-106, https://doi.org/10.1093/chromsci/5.2.103 . [all data]

Oda, Ichikawa, et al., 1996
Oda, J.; Ichikawa, S.; Mori, T., Analysis of polycyclic aromatic hydrocarbons in airborne particulates by capillary GC/MS method with programmed temperature relative retention index, Bunseki Kagaku, 1996, 45, 9, 825-835, https://doi.org/10.2116/bunsekikagaku.45.825 . [all data]

Lazarevic, Palic, et al., 2010
Lazarevic, J.S.; Palic, R.V.M.; Radulovic, N.S.; Ristic, N.R.; Stojanovic, G.S., Chemical composition and screening of the antimicrobial and antioxidative acrivity of extracts of Stachys species, J. Serb. Chem. Soc., 2010, 75, 10, 1347-1359, https://doi.org/10.2298/JSC100601117L . [all data]

Asif and Fazeelat, 2006
Asif, M.; Fazeelat, T., Characterization of aromatic hydrocarbons in Dhurnal oil from Northen Indus Basin, J. Chem. Soc. Pakistan, 2006, 28, 2, 169-175. [all data]

Sun, Zhou, et al., 2008
Sun, P.; Zhou, Q.; Li, G.; Wang, X.; Zhao, Y.; Cao, L., fingerprint analysis of polycyclic aromatic hydrocarbons in crude oil by internal standard method, J. Instrumental Anal., 2008, 27, 4, 344-348. [all data]

Skrbic and Onjia, 2006
Skrbic, B.; Onjia, A., Prediction of Lee Retention Indices of Polycyclic Aromatic Hydrocarbons by Artificial Neural Networks, J. Chromatorg. A, 2006, 1108, 2, 279-284, https://doi.org/10.1016/j.chroma.2006.01.080 . [all data]

Pedersen, Durant, et al., 2005
Pedersen, D.U.; Durant, J.L.; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L.; Cass, G.R., Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds., Environ. Sci. Technol., 2005, 39, 24, 9547-9560, https://doi.org/10.1021/es050886c . [all data]

Marynowski, Pieta, et al., 2004
Marynowski, L.; Pieta, M.; Janeczek, J., Composition and source of polycyclic aromatic compounds in deposited dust from selected sites around the Upper Silesia, Poland, Geol. Q., 2004, 48, 2, 169-180. [all data]

Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W., Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]

Wang, Jia, et al., 2000
Wang, J.; Jia, C.R.; Wong, C.K.; Wong, P.K., Characterization of polycyclic aromatic hydrocarbons created in lubricating oils, Water Air Soil Poll., 2000, 120, 3/4, 381-396, https://doi.org/10.1023/A:1005251618062 . [all data]

Williams and Horne, 1995
Williams, P.T.; Horne, P.A., Analysis of aromatic hydrocarbons in pyrolytic oil derived from biomass, J. Anal. Appl. Pyrolysis, 1995, 31, 15-37, https://doi.org/10.1016/0165-2370(94)00814-H . [all data]

Wang, Fingas, et al., 1994
Wang, Z.; Fingas, M.; Li, K., Fractionation of a light crude oil and identification and quantitation of aliphatic, aromatic, and biomarker comopunds by GC-FID and GC-MS, Part II, J. Chromatogr. Sci., 1994, 32, 9, 367-382, https://doi.org/10.1093/chromsci/32.9.367 . [all data]

Knobloch and Engewald, 1993
Knobloch, T.; Engewald, W., Identification of some polar polycyclic compounds in emissions from brown-coal-fired residential stoves, J. Hi. Res. Chromatogr., 1993, 16, 4, 239-242, https://doi.org/10.1002/jhrc.1240160407 . [all data]

Bundt, Herbel, et al., 1991
Bundt, J.; Herbel, W.; Steinhart, H.; Franke, S.; Francke, W., Structure-type separation of diesel fuels by solid phase extraction and identification of the two- and three-ring aromatics by capillary GC-mass spectrometry, J. Hi. Res. Chromatogr., 1991, 14, 2, 91-98, https://doi.org/10.1002/jhrc.1240140205 . [all data]

Palmentier, Britten, et al., 1989
Palmentier, J.-P.F.; Britten, A.J.; Charbonneau, G.M.; Karasek, F.W., Determination of polycyclic aromatic hydrocarbons in lubricating oil base stocks using high-performance liquid chromatography and gas chromatography-mass spectrometry, J. Chromatogr., 1989, 469, 241-251, https://doi.org/10.1016/S0021-9673(01)96459-3 . [all data]

Wise, Benner, et al., 1988
Wise, S.A.; Benner, B.A.; Byrd, G.D.; Chesler, S.N.; Rebbert, R.E.; Schantz, M.M., Determination of polycyclic aromatic hydrocarbons in a coal tar standard reference material, Anal. Chem., 1988, 60, 9, 887-894, https://doi.org/10.1021/ac00160a012 . [all data]

Vassilaros, Kong, et al., 1982
Vassilaros, D.L.; Kong, R.C.; Later, D.W.; Lee, M.L., Linear retention index system for polycyclic aromatic compounds. Critical evaluation and additional indices, J. Chromatogr., 1982, 252, 1-20, https://doi.org/10.1016/S0021-9673(01)88394-1 . [all data]

Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M., Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons, Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043 . [all data]

Fuentes, Font, et al., 2007
Fuentes, M.J.; Font, R.; Gomez-Rico, M.F.; Martin-Gullon, I., Pyrolysis and combustion of waste lubricant oil from diesel cars: Decomposition and pollutants, J. Anal. Appl. Pyrolysis, 2007, 79, 1-2, 215-226, https://doi.org/10.1016/j.jaap.2006.12.004 . [all data]

Wang, Li, et al., 2007
Wang, Z.; Li, K.; Lambert, P.; Yang, C., Identification, characterization and quantitation of pyrogenic polycylic aromatic hydrocarbons and other organic compounds in tire fire products, J. Chromatogr. A, 2007, 1139, 1, 14-26, https://doi.org/10.1016/j.chroma.2006.10.085 . [all data]

Wang, Li, et al., 2007, 2
Wang, Z.; Li, K.; Lambert, P.; Brown, C.E.; Yang, C.; Hollebone, B.P., Identification and characterization of polycyclic aromatic compounds in tire fire products and differentiation of pyrogenic PAHs from petrogenic PAHs in Proceedings of the 30th Arctic and Marine Oilspill (AMOP) Technical Seminar. Vol.1, 2007, 61-85. [all data]

Cheng, Liu, et al., 2005
Cheng, D.-X.; Liu, B.-X.; Sun, Y.-A.; Xie, B.; Zhang, H.-L., rapid analysis of pyrolysis products of cholesterol by GC-MS assited with boiling point - Lee retention index, journal of Instrumental Analysis - Fenxi ceshi xuebao, 2005, 24, 6, 85-88. [all data]

Sremac, Skrbic, et al., 2005
Sremac, S.; Skrbic, B.; Onjia, A., Artificial neural network prediction of quantitative structure-retention relationships of polycyclic aromatic hydrocarbons in gas chromatography, J. Serb. Chem. Soc., 2005, 70, 11, 1291-1300, https://doi.org/10.2298/JSC0511291S . [all data]

Lundstedt, Haglund, et al., 2003
Lundstedt, S.; Haglund, P.; Öberg, L., Degradation and formation of polycyclic aromatic compounds during bioslurry treatment of an aged gasworks soil, Environ. Toxicol. Chem., 2003, 22, 7, 1413-1420, https://doi.org/10.1002/etc.5620220701 . [all data]

Zamperlini, Silva, et al., 1997
Zamperlini, G.C.M.; Silva, M.R.S.; Vilegas, W., Identification of polycyclic aromatic hydrocarbons in sugar cane soot by gas chromatography-mass spectrometry, Chromatographia, 1997, 46, 11/12, 655-663, https://doi.org/10.1007/BF02490527 . [all data]

Paschke, Herbel, et al., 1992
Paschke, A.; Herbel, W.; Steinhart, H.; Franke, S.; Francke, W., Determination of mono- to tetracyclic aromatic hydrocarbons in lubricating oil, J. Hi. Res. Chromatogr., 1992, 15, 12, 827-833, https://doi.org/10.1002/jhrc.1240151211 . [all data]

Takada, Onda, et al., 1990
Takada, H.; Onda, T.; Ogura, N., Determination of polycyclic aromatic hydrocarbons in urban street dusts and their source materials by capillary gas chromatography, Environ. Sci. Technol., 1990, 24, 8, 1179-1186, https://doi.org/10.1021/es00078a005 . [all data]

Naikwadi, Charbonneau, et al., 1987
Naikwadi, K.P.; Charbonneau, G.M.; Karasek, F.W.; Clement, R.E., Separation and Identification of Organic Compounds in Air Particulate Extracts by High-Performance Liquid Chromatography and Gas Chromatography-Mass Spectrometry, J. Chromatogr., 1987, 398, 227-237, https://doi.org/10.1016/S0021-9673(01)96508-2 . [all data]

Tucminen, Wickstrom, et al., 1986
Tucminen, A.; Wickstrom, K.; Pyysalo, H., Determination of Polycyclic Aromatic Compounds by GLC-Selected Ion Monitoring (SIM) Technique, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 469-471, https://doi.org/10.1002/jhrc.1240090813 . [all data]

Shlyakhov, 1984
Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221. [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References