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Thieno[2,3-b]thiophene


Gas phase ion energetics data

Go To: Top, Mass spectrum (electron ionization), 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
8.32PEClark, Gleiter, et al., 1973LLK
9.15EIJohnstone and Ward, 1969RDSH
8.32PEMellink and Janssen, 1978Vertical value; LLK
8.45PECoustale, Guimon, et al., 1976Vertical value; LLK

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, 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

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 TNO Volatile Compounds in Food - Chemical Concepts
NIST MS number 249134

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, Gas phase ion energetics data, 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

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Column type Active phase I Reference Comment
CapillaryCP Sil 8 CB1225.Elmore, Campo, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryBPX-51239.Ames, Guy, et al., 200150. m/0.32 mm/0.5 «mu»m, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min

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

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Column type Active phase I Reference Comment
CapillaryDB-51212.Mottram and Whitfield, 1995He; Column length: 50. m; Column diameter: 0.32 mm; Program: 0C => 60C/min => 60C (5min) => 4C/min => 250C

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane1220.Xu, He, et al., 2010Program: 40 0C 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C

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

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Column type Active phase I Reference Comment
CapillarySPB-5201.25Thuss, Popp, et al., 200060. m/0.32 mm/0.10 «mu»m, He; Program: A: 105 0C (2 min) 2.5 0C -> 230 0C 50 0C/min -> 305 0C (15 min) B: 95 0C (2 min) 3.8 0C/min -> 310 0C (5 min)

References

Go To: Top, Gas phase ion energetics data, 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.

Clark, Gleiter, et al., 1973
Clark, P.A.; Gleiter, R.; Heilbronner, E., Photoelectron spectra of planar sulfur J. Heterocycl. Chem., Tetrahedron, 1973, 29, 3085. [all data]

Johnstone and Ward, 1969
Johnstone, R.A.W.; Ward, S.D., Ultraviolet spectra of, and SCF MO calculations on 6a-thiathiophthens, Theoret. Chim. Acta, 1969, 14, 420. [all data]

Mellink and Janssen, 1978
Mellink, W.A.; Janssen, M.J., Photoelectron spectra of aromatic sulphides and sulphones, J. Chem. Res. Synop., 1978, 422. [all data]

Coustale, Guimon, et al., 1976
Coustale, M.; Guimon, C.; Arriau, J.; Pfister-Guillouzo, G., Spectres photoelectroniques de divers thieno[2,3- b]thiophenes, J. Heterocycl. Chem., 1976, 13, 231. [all data]

Elmore, Campo, et al., 2002
Elmore, J.S.; Campo, M.M.; Enser, M.; Mottram, D.S., Effect of lipid composition on meat-like model systems containing cysteine, ribose, and polyunsaturated fatty acids, J. Agric. Food Chem., 2002, 50, 5, 1126-1132, https://doi.org/10.1021/jf0108718 . [all data]

Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J., Effect of pH and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking, J. Agric. Food Chem., 2001, 49, 4, 1885-1894, https://doi.org/10.1021/jf0012547 . [all data]

Mottram and Whitfield, 1995
Mottram, D.S.; Whitfield, F.B., Volatile compounds from the reaction of cysteine, ribose, and phospholipid in low-moisture systems, J. Agric. Food Chem., 1995, 43, 4, 984-988, https://doi.org/10.1021/jf00052a027 . [all data]

Xu, He, et al., 2010
Xu, H.; He, W.; Liu, X.; Gao, Y., Effect of pressure on the Maillard reaction between ribose and cysteine in supercritical carbon dioxide, Czech J. Food Sci., 2010, 28, 3, 192-201. [all data]

Thuss, Popp, et al., 2000
Thuss, U.; Popp, P.; Ehrlich, C.; Kalkoff, W.-D., Identification and quantification of thaarenes in the flue gas of lignite-fired domestic heating, J. Hi. Res. Chromatogr., 2000, 23, 7/8, 457-473, https://doi.org/10.1002/1521-4168(20000801)23:7/8<457::AID-JHRC457>3.0.CO;2-7 . [all data]


Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References