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3,7-Octadiene-2,6-diol, 2,6-dimethyl-


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

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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 N.W. Davies, Centr. Sci. Lab., Univ. Tasmania, Hobart, Australia
NIST MS number 107015

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.


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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-1011219.Politeo, Jukic, et al., 200725. m/0.20 mm/0.20 «mu»m, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 15. min
CapillaryEquity-51199.Rocha, Coelho, et al., 200760. m/0.25 mm/1. «mu»m, He, 40. C @ 1. min, 5. K/min, 260. C @ 15. min
CapillaryDB-5MS1176.Chassagne, Boulanger, et al., 199930. m/0.25 mm/0.25 «mu»m, H2, 2. K/min; Tstart: 40. 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
CapillaryBPX-51229.Cardeal, da Silva, et al., 200630. m/0.25 mm/0.25 «mu»m; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)
CapillaryDB-5MS1186.Boulanger and Crouzet, 200030. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min)
CapillaryDB-51173.Boulanger, Chassagne, et al., 199930. m/0.25 mm/0.25 «mu»m, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
CapillaryDB-51189.Boulanger, Chassagne, et al., 199930. m/0.25 mm/0.25 «mu»m, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
CapillaryDB-51189.Boulanger, Chassagne, et al., 199930. m/0.25 mm/0.25 «mu»m, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
CapillaryDB-51194.Boulanger, Chassagne, et al., 199930. m/0.25 mm/0.25 «mu»m, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
CapillaryDB-51189.Boulanger, Chassagne, et al., 199930. m/0.25 mm/0.25 «mu»m, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
CapillaryDB-51191.Boulanger, Chassagne, et al., 199930. m/0.25 mm/0.25 «mu»m, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-20M1903.Politeo, Jukic, et al., 2007, 250. m/0.2 mm/0.2 «mu»m, He, 70. C @ 4. min, 4. K/min, 180. C @ 15. min
CapillaryZB-Wax1936.Ugliano, Bartowsky, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 1. min, 4. K/min, 220. C @ 10. min
CapillaryCarbowax 20M1914.Verzera, Campisi, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C
CapillaryDB-Wax1949.Aubert, Ambid, et al., 200330. m/0.32 mm/0.5 «mu»m, 40. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax1949.Aubert, Günata, et al., 200330. m/0.32 mm/0.5 «mu»m, 40. C @ 3. min, 2. K/min, 245. C @ 20. min
CapillaryDB-Wax1913.3Pet'ka, Mocák, et al., 200130. m/0.32 mm/0.25 «mu»m, H2, 35. C @ 0.5 min, 4. K/min; Tend: 220. C
CapillaryCP-Wax 52CB1914.Verzera, Campisi, et al., 200160. m/0.25 mm/0.25 «mu»m, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C
CapillaryDB-Wax1969.Wirth, Guo, et al., 200130. m/0.32 mm/0.5 «mu»m, He, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax1949.Bureau, Baumes, et al., 200030. m/0.32 mm/0.5 «mu»m, He, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax1951.Bureau, Razungles, et al., 200030. m/0.32 mm/0.5 «mu»m, 60. C @ 3. min, 3. K/min, 245. C @ 20. min
CapillaryDB-Wax1949.Chassagne, Boulanger, et al., 199930. m/0.25 mm/0.25 «mu»m, H2, 60. C @ 3. min, 2. K/min; Tend: 220. C
CapillaryDB-Wax1926.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax1928.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax1927.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryDB-Wax1928.Suárez, Duque, et al., 199130. m/0.259 mm/0.25 «mu»m, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryCarbowax 20M1925.Schwab, Mahr, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 40. C @ 3. min, 4. K/min; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySOLGel-Wax1910.Aubert, Baumann, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min)
CapillaryCarbowax 20M1969.Boido, Lloret, et al., 200325. m/0.32 mm/0.25 «mu»m, H2; Program: 40C (8min) => 3C/min => 180C => 20C/min => 230C
CapillaryCarbowax 20M1969.Boido, Lloret, et al., 200325. m/0.32 mm/0.25 «mu»m, H2; Program: 40C (8min) => 3C/min => 180C => 20C/min => 230C
CapillaryDB-Wax1945.Boulanger and Crouzet, 200030. m/0.25 mm/0.25 «mu»m, H2; Program: 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDP-51197.Vijayakumar, Duraipandiyan, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 80. C @ 1. min, 4. K/min, 300. C @ 40. min
CapillaryOV-11167.Nibret and Wink, 200930. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 4. K/min, 300. C @ 10. min
CapillarySPB-51198.Kilic, Kollmannsberger, et al., 2005He, 5. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 100. C; Tend: 250. C
CapillarySE-541183.Kilic, Hafizoglu, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 2. K/min; Tend: 260. C
CapillaryBPX-51204.D'Arcy, Rintoul, et al., 199750. m/0.22 mm/0.25 «mu»m, He, 50. C @ 1. min, 3. K/min, 250. C @ 10. min

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax Etr1963.Ibarz, Ferreira, et al., 200660. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 230. C @ 100. min
CapillaryDB-Wax1945.Jiang and Kubota, 2004He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C
CapillaryDB-Wax1945.Jiang and Kubota, 2004He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C
CapillaryDB-Wax1928.Morales, Duque, et al., 200025. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min
CapillaryDB-Wax1981.Morales, Duque, et al., 200025. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min
CapillaryCarbowax 20M1907.Kawakami, Ganguly, et al., 199560. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax Etr1963.Loskos, Hernandez-Orte, et al., 200760. m/0.25 mm/0.5 «mu»m, He; Program: 40C(3min) => 10C/min => 90C => 2C/min => 230C (37min)
CapillaryCarbowax 20M1914.Editorial paper, 2005Program: not specified
CapillaryCarbowax 20M1930.Vinogradov, 2004Program: not specified
CapillaryHP-Innowax FSC1961.Kaya, Demirci, et al., 200160. m/0.25 mm/0.25 «mu»m; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryDB-Wax1957.Schneider, Razungles, et al., 200130. m/0.25 mm/0.5 «mu»m, He; Program: 30C => 70C/min => 60C (3min) => 3C/min => 245C (20min)
CapillaryCP-Wax 52CB1958.López-Tamames, Carro-Mariño, et al., 199725. m/0.3 mm/1.2 «mu»m, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C
CapillaryCP-Wax 52 CB1958.Carro Marino, López Tamames, et al., 1995H2; Column length: 30. m; Column diameter: 0.32 mm; Program: 60 0C 2 0C/min -> 220 0C 3 0C/min -> 245 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.

Politeo, Jukic, et al., 2007
Politeo, O.; Jukic, M.; Milos, M., Chemical Composition and Antioxidant Activity of Free Volatile Aglycones from Laurel (Laurus nobilis L.) Compared to Its Essential Oil, Croatica Chem. Acta, 2007, 80, 1, 121-126. [all data]

Rocha, Coelho, et al., 2007
Rocha, S.M.; Coelho, E.; Zrostlikova, J.; Delgadillo, I.; Coimbra b, M.A., Comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry of monoterpenoids as a powerful tool for grape origin traceability, J. Chromatogr. A, 2007, 1161, 1-2, 292-299, https://doi.org/10.1016/j.chroma.2007.05.093 . [all data]

Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J., Enzymatic hydrolysis of edible Passiflora fruit glycosides, Food Chem., 1999, 66, 3, 281-288, https://doi.org/10.1016/S0308-8146(99)00044-8 . [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Boulanger and Crouzet, 2000
Boulanger, R.; Crouzet, J., Free and bound flavour components of Amazonian fruits: 2. cupuacu volatile compounds, Flavour Fragr. J., 2000, 15, 4, 251-257, https://doi.org/10.1002/1099-1026(200007/08)15:4<251::AID-FFJ905>3.0.CO;2-2 . [all data]

Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J., Free and bound flavour components of amazonian fruits. 1: Bacuri, Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C . [all data]

Politeo, Jukic, et al., 2007, 2
Politeo, O.; Jukic, M.; Milos, M., Chemical composition and antioxidant capacity of free volatile aglycones from basil (Ocimum basilicum L.) compared with its essential oil, Food Chem., 2007, 101, 1, 379-385, https://doi.org/10.1016/j.foodchem.2006.01.045 . [all data]

Ugliano, Bartowsky, et al., 2006
Ugliano, M.; Bartowsky, E.J.; McCarthy, J.; Moio, L.; Henschke, P.A., Hydrolysis and Transformation of Grape Glycosidically Bound Volatile Compounds during Fermentation with Three Saccharomyces Yeast Strains, J. Agric. Food Chem., 2006, 54, 17, 6322-6331, https://doi.org/10.1021/jf0607718 . [all data]

Verzera, Campisi, et al., 2005
Verzera, A.; Campisi, S.; Zappalá, M., SUPELCO. Using SPME-GC-MS to characterize volatile components of honey as indicators of botanical origin, 2005, retrieved from http://www.sigmaaldrich.com/Brands/SupelcoHome/TheReporter.html. [all data]

Aubert, Ambid, et al., 2003
Aubert, C.; Ambid, C.; Baumes, R.; Günata, Z., Investigation of bound aroma constituents of yellow-fleshed nectarines (Prunus persica L. Cv. Springbright). Changes in bound aroma profile during maturation, J. Agric. Food Chem., 2003, 51, 21, 6280-6286, https://doi.org/10.1021/jf034613h . [all data]

Aubert, Günata, et al., 2003
Aubert, C.; Günata; Ambid, C.; Baumes, R., Changes in physicochemical characteristics and volatile constituents of yellow- and white-fleshed nectarines during maturation and artificial ripening, J. Agric. Food Chem., 2003, 51, 10, 3083-3091, https://doi.org/10.1021/jf026153i . [all data]

Pet'ka, Mocák, et al., 2001
Pet'ka, J.; Mocák, J.; Farkas, P.; Balla, B.; Kovác, M., Classification of Slovak varietal white wines by volatile compounds, J. Sci. Food Agric., 2001, 81, 15, 1533-1539, https://doi.org/10.1002/jsfa.979 . [all data]

Verzera, Campisi, et al., 2001
Verzera, A.; Campisi, S.; Zappalá, M.; Bonaccorsi, I., SPME-GC-MS analysis of honey volatile components for the characterization of different floral origin, Am. Lab. Fairfield Conn., 2001, 33, 15, 18-21. [all data]

Wirth, Guo, et al., 2001
Wirth, J.; Guo, W.; Baumes, R.; Günata, Z., Volatile compounds released by enzymatic hydrolysis of glycoconjugates of leaves and grape berries from Vitis vinifera muscat of Alexandria and Shiraz cultivars, J. Agric. Food Chem., 2001, 49, 6, 2917-2923, https://doi.org/10.1021/jf001398l . [all data]

Bureau, Baumes, et al., 2000
Bureau, S.M.; Baumes, R.L.; Razungles, A.J., Effects of vine or bunch shading on the glycosylated flavor precursors in grapes of Vitis vinifera L. Cv. Syrah, J. Agric. Food Chem., 2000, 48, 4, 1290-1297, https://doi.org/10.1021/jf990507x . [all data]

Bureau, Razungles, et al., 2000
Bureau, S.M.; Razungles, A.R.; Baumes, R.L., The aroma of Muscat of Frontignan grapes: effect of the light environment of vine or bunch on volatiles and glycoconjugates, J. Sci. Food Agric., 2000, 80, 14, 2012-2020, https://doi.org/10.1002/1097-0010(200011)80:14<2012::AID-JSFA738>3.0.CO;2-X . [all data]

Suárez, Duque, et al., 1991
Suárez, M.; Duque, C.; Wintoch, H.; Schreier, P., Glycosidically bound aroma compounds from the pulp and the peelings of lulo fruit (Solanum vestissimum D.), J. Agric. Food Chem., 1991, 39, 9, 1643-1645, https://doi.org/10.1021/jf00009a022 . [all data]

Schwab, Mahr, et al., 1989
Schwab, W.; Mahr, C.; Schreier, P., Studies on the enzymic hydrolysis of bound aroma components from Carica papaya fruit, J. Agric. Food Chem., 1989, 37, 4, 1009-1012, https://doi.org/10.1021/jf00088a042 . [all data]

Aubert, Baumann, et al., 2005
Aubert, C.; Baumann, S.; Arguel, H., Optimization of the Analysis of Flavor Volatile Compounds by Liquid-Liquid Microextraction (LLME). Application to the Aroma Analysis of Melons, Peaches, Grapes, Strawberries, and Tomatoes, J. Agric. Food Chem., 2005, 53, 23, 8881-8895, https://doi.org/10.1021/jf0510541 . [all data]

Boido, Lloret, et al., 2003
Boido, E.; Lloret, A.; Medina, K.; Fariña, L.; Carrau, f.; Versini, G.; Dellacassa, E., Aroma composition of Vitis vinifera Cv. Tannat: the typical red wine from Uruguay, J. Agric. Food Chem., 2003, 51, 18, 5408-5413, https://doi.org/10.1021/jf030087i . [all data]

Vijayakumar, Duraipandiyan, et al., 2012
Vijayakumar, A.; Duraipandiyan, V.; Jeyarai, B.; Agastian, P.; Raj, M.K.; Ignacimunthu, S., Phytochemical analysis and in vitro antimicrobial activity of Illicium griffithii Hook f. Thoms extracts, Asian Pacific J. Tropical Diseases, 2012, 2, 3, 190-199, https://doi.org/10.1016/S2222-1808(12)60045-0 . [all data]

Nibret and Wink, 2009
Nibret, E.; Wink, M., Volatile components of four Ethiopian Artemisia species extracts and their in vitro antipatrypanosomal and cytotoxic activities, Phytomedicine, 2009, 00, 0, 000-000. [all data]

Kilic, Kollmannsberger, et al., 2005
Kilic, A.; Kollmannsberger, H.; Nitz, S., Glycosidically bound volatiles and flavor precursors in Laurus nobilis L., J. Agric. Food Chem., 2005, 53, 6, 2231-2235, https://doi.org/10.1021/jf040373+ . [all data]

Kilic, Hafizoglu, et al., 2004
Kilic, A.; Hafizoglu, H.; Kollmannsberger, H.; Nitz, S., Volatile constituents and key odorants in leaves, buds, flowers, and fruits of Laurus nobilis L., J. Agric. Food Chem., 2004, 52, 6, 1601-1606, https://doi.org/10.1021/jf0306237 . [all data]

D'Arcy, Rintoul, et al., 1997
D'Arcy, B.R.; Rintoul, G.B.; Rowland, C.Y.; Blackman, A.J., Composition of Australian honey extractives. 1. Norisoprenoids, monoterpenes, and other natural volatiles from blue gum (Eucalyptus leucoxylon) and yellow box (Eucalyptus melliodora) honeys, J. Agric. Food Chem., 1997, 45, 5, 1834-1843, https://doi.org/10.1021/jf960625+ . [all data]

Ibarz, Ferreira, et al., 2006
Ibarz, M.J.; Ferreira, V.; Hernández-Orte, P.; Loscos, N.; Cacho, J., Optimization and evaluation of a procedure for the gas chromatographic-mass spectrometric analysis of the aromas generated by fast acid hydrolysis of flavor precursors extracted from grapes, J. Chromatogr. A, 2006, 1116, 1-2, 217-229, https://doi.org/10.1016/j.chroma.2006.03.020 . [all data]

Jiang and Kubota, 2004
Jiang, L.; Kubota, K., Differences in the volatile components and their odor characteristics of green and ripe fruits and dried pericarp of Japanese pepper (Xanthoxylum piperitum DC.), J. Agric. Food Chem., 2004, 52, 13, 4197-4203, https://doi.org/10.1021/jf030663a . [all data]

Morales, Duque, et al., 2000
Morales, A.L.; Duque, C.; Bautista, E., Identification of free and glycosidically bound volatiles and glycosides by capillary GC and capillary GC-MS in Lulo del Chocó (Solanum topiro), J. Hi. Res. Chromatogr., 2000, 23, 5, 379-385, https://doi.org/10.1002/(SICI)1521-4168(20000501)23:5<379::AID-JHRC379>3.0.CO;2-B . [all data]

Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A., Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma, J. Agric. Food Chem., 1995, 43, 1, 200-207, https://doi.org/10.1021/jf00049a037 . [all data]

Loskos, Hernandez-Orte, et al., 2007
Loskos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V., Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions, J. Agric. Food Chem., 2007, 55, 16, 6674-6684, https://doi.org/10.1021/jf0702343 . [all data]

Editorial paper, 2005
Editorial paper, Solid Phase Microextraction (SPME) Application Guide, The Reporter Europe (Supelco), 2005, 16, 5, 12-12. [all data]

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

Kaya, Demirci, et al., 2001
Kaya, A.; Demirci, B.; Baser, K.H.C., The composition of the essential oil of Stachys iberica subsp. stenostachya growing in Turkey, Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 4, 326-328, https://doi.org/10.1023/A:1013762200024 . [all data]

Schneider, Razungles, et al., 2001
Schneider, R.; Razungles, A.; Augier, C.; Baumes, R., Monoterpenic and norisoprenoidic glycoconjugates of Vitis vinifera L. cv. Melon B. as precursors of odorants in Muscadet wines, J. Chromatogr. A, 2001, 936, 1-2, 145-157, https://doi.org/10.1016/S0021-9673(01)01150-5 . [all data]

López-Tamames, Carro-Mariño, et al., 1997
López-Tamames, E.; Carro-Mariño, N.; Gunata, Y.Z.; Sapis, C.; Baumes, R.; Bayonove, C., Potential aroma in several varieties of Spanish grapes, J. Agric. Food Chem., 1997, 45, 5, 1729-1735, https://doi.org/10.1021/jf960572w . [all data]

Carro Marino, López Tamames, et al., 1995
Carro Marino, N.; López Tamames, E.; García Jares, C.M., Contribution to the study of the aromatic potential of three muscat Vitis vinifera varieties: identification of new compounds, Food Sci. Technol. Int., 1995, 1, 2-3, 105-116, https://doi.org/10.1177/108201329500100206 . [all data]


Notes

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