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Epizonarene


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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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 156107

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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

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Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L190.1537.Andersen, Ohta, et al., 1977 
CapillaryApiezon L155.1519.Andersen, Syrdal, et al., 1973 
CapillaryApiezon L190.1538.Andersen, Syrdal, et al., 1973 

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1545.Jalali-Heravi, Zekavat, et al., 200660. m/0.25 mm/0.25 «mu»m, He, 40. C @ 1. min, 3. K/min, 250. C @ 20. min
CapillaryDB-51501.Adams and Nguyen, 200530. m/0.26 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryDB-51498.Lucero, Estell, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C
CapillaryDB-51499.Adams, 200030. m/0.26 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 246. C

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

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Column type Active phase I Reference Comment
CapillaryDB-11499.Kuiate, Bessière, et al., 200630. m/0.25 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 50. C; Tend: 220. C
CapillaryHP-51497.Karioti, Skaltsa, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-51500.Maia, de Paula, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryDB-51501.Maia, de Paula, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryCP Sil 5 CB1526.Pfeifhofer, 200050. m/0.22 mm/0.13 «mu»m, H2, 4. K/min, 300. C @ 10. min; Tstart: 40. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1502.9Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-525.1497.Hemmateenejad, Jawadnia, et al., 2007 

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51530.Boukhris, Bouaziz, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 100. C @ 1. min, 10. K/min, 260. C @ 10. min
CapillaryDB-51509.Mosayebi, Amin, et al., 200860. m/0.25 mm/0.25 «mu»m, Nitrogen, 5. K/min, 250. C @ 10. min; Tstart: 60. C
CapillaryHP-51501.Cheraif, Ben Jannet, et al., 200730. m/0.25 mm/0.25 «mu»m, N2, 50. C @ 1. min, 5. K/min, 240. C @ 4. min
CapillaryHP-51489.Wenguang, Wenlai, et al., 200730. m/0.25 mm/0.25 «mu»m, 40. C @ 3. min, 5. K/min, 240. C @ 10. min
CapillaryDB-11508.Pala-Paul J., Perez-Alonso M.J., et al., 200650. m/0.25 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 95. C; Tend: 240. C
CapillaryHP-51479.Pitarokili, Tzakou, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-51478.Pitarokili, Tzakou, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 280. C

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

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Column type Active phase I Reference Comment
Capillary5 % Phenyl polydimethyl siloxane1499.Chaverri, Diaz, et al., 2011Program: not specified
CapillaryHP-51494.Citron, Riclea, et al., 2011Program: not specified
CapillaryHP-51502.Citron, Riclea, et al., 2011Program: not specified
CapillaryHP-51501.Custer, 200925. m/0.32 mm/0.17 «mu»m, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)
CapillaryHP-51501.Custer, 200925. m/0.32 mm/0.17 «mu»m, Helium; Program: not specified
CapillaryDB-5 MS1495.Silva, Doria, et al., 200830. m/0.25 mm/0.25 «mu»m; Program: 80 0C (1.5 min) 4 pC/min -> 180 0C 10 0C/min -> 300 0C (10 min)
CapillaryDB-51498.Parker, Pollnitz, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 50C(1min) => 3C/min => 250C(10min) => 20C/min => 280C (5min)
CapillaryHP-5 MS1495.Schmidt, Noletto, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
CapillarySE-521502.Tognolini, Barocelli, et al., 200630. m/0.32 mm/0.15 «mu»m, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillaryOV-11475.El-Shazly and Hussein, 2004He; Column length: 15. m; Column diameter: 0.317 mm; Program: 50C(4min) => 4C/min => 90C => 10C/min => 300C(10min)
CapillaryDB-51502.Letchamo, Ward, et al., 200430. m/0.25 mm/0.25 «mu»m, He; Program: 60C(4min) => 6C/min => 240 => 10C/min => 280C

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1672.Zeng, Xie, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 4. K/min, 230. C @ 4.5 min
CapillaryHP-Innowax1688.Cheraif, Ben Jannet, et al., 200730. m/0.25 mm/0.25 «mu»m, N2, 50. C @ 1. min, 5. K/min, 240. C @ 4. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1692.Zeng, Xie, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP Innowax1675.Noorizadeh and Farmany, 201060. m/0.25 mm/0.33 «mu»m; Program: not specified
CapillaryHP-Innowax FSC1677.Baser K.H.C. and Demirci B., 200760. m/0.25 mm/0.25 «mu»m, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryDB-Wax1692.Wenguang, Wenlai, et al., 200730. m/0.25 mm/0.25 «mu»m; Program: 40 0C (3 min) 3 0C/min -> 150 0C (2 min) 6 0C/min -> 230 0C (10 min)
CapillaryHP-Innowax FSC1678.Sezik E., Kocakulak E., et al., 200560. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1677.Demirci, Paper, et al., 200460. m/0.25 mm/0.25 «mu»m, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1677.Kivcak, Akay, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1677.Kivcak, Akay, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryCarbowax 20M1678.Vinogradov, 2004Program: not specified
CapillaryInnowax1679.Tunaher, Kirimer, et al., 200360. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min)
CapillaryHP-Innowax1677.Baser, Demirci, et al., 200260. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryHP-Innowax FSC1677.Kirimer N., Tabanea N., et al., 200160. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax FSC1678.Kirimer, Tabanca, et al., 199960. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C

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.

Andersen, Ohta, et al., 1977
Andersen, N.H.; Ohta, Y.; Liu, C.-B.; Kramer, C.M.; Allison, K.; Huneck, S., Sesquiterpenes of thalloid liverworts of the genera conocephalum, lunularia, metzgeria and riccardia, Phytochemistry, 1977, 16, 11, 1727-1729, https://doi.org/10.1016/0031-9422(71)85080-X . [all data]

Andersen, Syrdal, et al., 1973
Andersen, N.H.; Syrdal, D.D.; Lawrence, B.M.; Terhune, S.J.; Hogg, J.W., Widespread occurrence of two heteroannular dienes of the cadalane skeleton, Phytochemistry, 1973, 12, 4, 827-833, https://doi.org/10.1016/0031-9422(73)80687-9 . [all data]

Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H., Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques, J. Chromatogr. A, 2006, 1114, 1, 154-163, https://doi.org/10.1016/j.chroma.2006.02.034 . [all data]

Adams and Nguyen, 2005
Adams, R.P.; Nguyen, S., Infra-specific variation in Juniperus deppeana and F. Sperryi in the Davis Mountains of Texas: variation in leaf essential oils and random amplified polymorphic DNAS (RAPDS), Phytologia, 2005, 87, 2, 96-108. [all data]

Lucero, Estell, et al., 2003
Lucero, M.E.; Estell, R.E.; Frederickson, E.L., The essential oil composition of Psorothamnus scoparius (A. Gray) Rydb., J. Essent. Oil Res., 2003, 15, 2, 108-111, https://doi.org/10.1080/10412905.2003.9712083 . [all data]

Adams, 2000
Adams, R.P., The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3 . [all data]

Kuiate, Bessière, et al., 2006
Kuiate, J.R.; Bessière, J.M.; Vilarem, G.; Amvam Zollo, P.H., Chemical composition and antidermatophytic properties of the essential oils from leaves, flowers and fruits of Cupressus lusitanica Mill. from Cameroon, Flavour Fragr. J., 2006, 21, 4, 693-697, https://doi.org/10.1002/ffj.1686 . [all data]

Karioti, Skaltsa, et al., 2003
Karioti, A.; Skaltsa, H.; Demetzos, C.; Perdetzoglou, D.; Economakis, C.D.; Salem, A.B., Effect of nitrogen concentration of the nutrient solution on the volatile constituents of leaves of Salvia fruticosa Mill. in solution culture, J. Agric. Food Chem., 2003, 51, 22, 6505-6508, https://doi.org/10.1021/jf030308k . [all data]

Maia, de Paula, et al., 2000
Maia, B.H.L.N.S.; de Paula, J.R.; Sant'Ana, J.; da Silva, M.F.G.F.; Fernandes, J.B.; Vieira, P.C.; Costa, M.S.S.; Ohashi, O.S.; Silva, J.N.M., Essential oils of Toona and Cedrela species (Meliaceae): Taxonomic and ecological implications, J. Braz. Chem. Soc., 2000, 11, 6, 629-639, https://doi.org/10.1590/S0103-50532000000600012 . [all data]

Pfeifhofer, 2000
Pfeifhofer, H.W., Composition of the essential oil of Pinus canariensis Sweet ex Sprengel, Flavour Fragr. J., 2000, 15, 4, 266-270, https://doi.org/10.1002/1099-1026(200007/08)15:4<266::AID-FFJ908>3.0.CO;2-E . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Hemmateenejad, Jawadnia, et al., 2007
Hemmateenejad, B.; Jawadnia, K.; Elyasi, M., Quantitative structure - retention relationship for the Kovats retention indices of a large set of terpenes: a comdined data splitting-feature selection strategy, Anal. Chim. Acta, 2007, 592, 1, 72-81, https://doi.org/10.1016/j.aca.2007.04.009 . [all data]

Boukhris, Bouaziz, et al., 2012
Boukhris, M.; Bouaziz, M.; Feki, I.; Jemai, H.; El Feki, A.; Sayadi, S., Hypoglycemic and antioxidant effects of leaf essential oil of Pelargonium graveolens L'Her. in alloxan induced diabetic rats, Lipids in Health and Disease, 2012, 11, 1, 1-10, https://doi.org/10.1186/1476-511X-11-81 . [all data]

Mosayebi, Amin, et al., 2008
Mosayebi, M.; Amin, G.; Arzani, H.; Azarnivand, H.; Maleki, M.; Shafaghat, A., Effect of habitat on essential oil of Achillea filipendula L. in Iran, Asian J. Plant Sci., 2008, 7, 8, 779-781, https://doi.org/10.3923/ajps.2008.779.781 . [all data]

Cheraif, Ben Jannet, et al., 2007
Cheraif, I.; Ben Jannet, H.; Hammami, M.; Khouja, M.L.; Mighri, Z., Chemical composition and antimicrobial activity of essential oils of Cupressus arizonica Greene, Biochem. Syst. Ecol., 2007, 35, 12, 813-820, https://doi.org/10.1016/j.bse.2007.05.009 . [all data]

Wenguang, Wenlai, et al., 2007
Wenguang, J.; Wenlai, F.; Yan, X.; Guangao, Z.; Jiming, L.; Ying, Y., Analysis of free terpenoids in four Vitis vinifera varietis using solvent assisted flavour evaporation and gas chromatography-tandem mass spectrometry, Chinese J. Chromatogr., 2007, 25, 6, 881-886, https://doi.org/10.1016/S1872-2059(08)60006-1 . [all data]

Pala-Paul J., Perez-Alonso M.J., et al., 2006
Pala-Paul J.; Perez-Alonso M.J.; Velasco-Negueruela A.; Ballesteros M.T.; Sanz J., Essential oil composition of Sideritis hirsuta L. from Guadalajara Province, Spain, Flavour Fragr. J., 2006, 21, 3, 410-415, https://doi.org/10.1002/ffj.1727 . [all data]

Pitarokili, Tzakou, et al., 2003
Pitarokili, D.; Tzakou, O.; Loukis, A.; Harvala, C., Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens, J. Agric. Food Chem., 2003, 51, 11, 3294-3301, https://doi.org/10.1021/jf0211534 . [all data]

Chaverri, Diaz, et al., 2011
Chaverri, C.; Diaz, C.; Cicco, J.F., Chemical analysis of essential oils from Ocotea gomezii W.C. Burger and Ocotea morae Gomez-Laur. (Lauraceae) collected at Reserva biologica Alberto M. Brenes in Costa Rica and their cytotoxic activity on Tumor cell lines, J. Braz. Chem. Soc., 2011, 22, 4, s1-s4, https://doi.org/10.1590/S0103-50532011000400018 . [all data]

Citron, Riclea, et al., 2011
Citron, C.A.; Riclea, R.; Brock, N.L.; Dickschat, J.S., Biosynthesis of acorane sesquiterpenes by Trichoderma. Electronic supplemental materials (ESI), Royal Soc. Chem., 2011, 1-10. [all data]

Custer, 2009
Custer, Y., GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]

Silva, Doria, et al., 2008
Silva, W.L.; Doria, G.A.A.; Maia, R.T.; Nunes, R.S.; Carvalho, G.A.; Blank, A.F.; Alves, P.B.; Marcal, R.M.; Cavalcanti, S.C.H., Effects of essential oils on Aedes aegypti larvae: alternatives to environmentally safe insecticides, Bioresource Technol., 2008, 99, 8, 3251-3255, https://doi.org/10.1016/j.biortech.2007.05.064 . [all data]

Parker, Pollnitz, et al., 2007
Parker, M.; Pollnitz, A.P.; Cozzolino, D.; Leigh Francis, I.; Herderich, M.J., Identification and Quantification of a Marker Compound for 'Pepper' Aroma and Flavor in Shiraz Grape Berries by Combination of Chemometrics and Gas Chromatography-Mass Spectrometry, J. Agric. Food Chem., 2007, 55, 15, 5948-5955, https://doi.org/10.1021/jf0705320 . [all data]

Schmidt, Noletto, et al., 2006
Schmidt, J.M.; Noletto, J.A.; Vogler, B.; Setzer, W.N., Abaco Bush Medicine: Chemical composition of the essential oils of four aromatic medicinal plants from Abaco Island, Bahamas, J. Herbs, Spices Medicinal Plants, 2006, 12, 3, 43-65, https://doi.org/10.1300/J044v12n03_04 . [all data]

Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M., Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity, Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020 . [all data]

El-Shazly and Hussein, 2004
El-Shazly, A.M.; Hussein, K.T., Chemical analysis and biological activities of the essential oil of Teucrium leucocladum Boiss. (Lamiaceae), Biochem. Syst. Ecol., 2004, 32, 7, 665-674, https://doi.org/10.1016/j.bse.2003.12.009 . [all data]

Letchamo, Ward, et al., 2004
Letchamo, W.; Ward, W.; Heard, B.; Heard, D., Essential oil of Valeriana officinalis L. cultivars and their antimicrobial activity as influenced by harvesting time under commercial organic cultivation, J. Agric. Food Chem., 2004, 52, 12, 3915-3919, https://doi.org/10.1021/jf0353990 . [all data]

Zeng, Xie, et al., 2011
Zeng, Z.; Xie, R.; Zhang, T.; Zhang, H.; Chen, J.Y., Analysis of volatile compositions of Magnolia biondii Pamp by steam distillation and Headspace solid phase micro-extraction, J. Oleo Sci., 2011, 60, 12, 591-596, https://doi.org/10.5650/jos.60.591 . [all data]

Noorizadeh and Farmany, 2010
Noorizadeh, H.; Farmany, A., Exploration of linear and nonlinear modeling techniques to predict of retention index of essential oils, J. Chin. Chem. Soc., 2010, 1268-1277. [all data]

Baser K.H.C. and Demirci B., 2007
Baser K.H.C.; Demirci B., Studies on Betula essential oils, Arkivoc, 2007, 7, 335-348. [all data]

Sezik E., Kocakulak E., et al., 2005
Sezik E.; Kocakulak E.; Baser K.H.C.; Ozek T., Composition of the essential oils of Juniperus oxycedrus subsp macrocarpa from Turkey, Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 3, 352-354, https://doi.org/10.1007/s10600-005-0149-0 . [all data]

Demirci, Paper, et al., 2004
Demirci, F.; Paper, D.H.; Demirci, F.; Hüsnü Can Baser, K.; Franz, G., Essential oil of Betula pendula Roth. buds, eCAM, 2004, 1, 3, 301-303. [all data]

Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C., Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey, Pharm. Biol, 2004, 42, 4-5, 360-366, https://doi.org/10.1080/13880200490519677 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Tunaher, Kirimer, et al., 2003
Tunaher, Z.; Kirimer, N.; Baser, K.H.C., Wood essential oils of Juniperus foetidissima Willd., Holzforschung, 2003, 57, 140-144. [all data]

Baser, Demirci, et al., 2002
Baser, K.H.C.; Demirci, B.; Kirimer, N.; Satil, F.; Tumen, G., The essential oils of Thymus migricus and T. fedtschenkoi var. handelii from Turkey, Flavour Fragr. J., 2002, 17, 1, 41-45, https://doi.org/10.1002/ffj.1036 . [all data]

Kirimer N., Tabanea N., et al., 2001
Kirimer N.; Tabanea N.; Demirci B.; Baser K.H.C.; Duman H.; Aytac Z., The essential oil of a new Sideritis species: Sideritis ozturkii Aytac and Aksoy, Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 3, 234-237, https://doi.org/10.1023/A:1012561806033 . [all data]

Kirimer, Tabanca, et al., 1999
Kirimer, N.; Tabanca, N.; Ozek, T.; Basher, K.H.C.; Tumen, G., Composition of essential oils from two endemic Sideritis species of Turkey, Chem. Natural Comp., 1999, 35, 1, 61-64, https://doi.org/10.1007/BF02238211 . [all data]


Notes

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