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3-Methyl-2-butene-1-thiol


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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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 W.Holscher ET AL.J.Agr.Food Chem.,40,655(1992)
NIST MS number 292871

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, custom temperature program

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Column type Active phase I Reference Comment
CapillarySPB-5808.Majcher and Jelen, 200730. m/0.53 mm/1.5 «mu»m; Program: 40C(1min) => 6C/min => 180C => 20C/min => 280C
CapillarySE-54818.Fritsch and Schieberle, 200530. m/0.32 mm/0.25 «mu»m, He; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min)
CapillarySE-54833.Fritsch and Schieberle, 200530. m/0.32 mm/0.25 «mu»m, He; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min)
CapillaryCP Sil 8 CB821.Holscher, Vitzthum, et al., 199250. m/0.32 mm/0.25 «mu»m, He; Program: 35C(2min) => 40C/min => 60C(2min) => 2C/min => 220C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101112.Majcher and Jelen, 200730. m/0.25 mm/0.25 «mu»m; Program: 40C(2min) => 40C/min => 60C(2min) => 5C/min => 240C
CapillaryFFAP1100.Fritsch and Schieberle, 200530. m/0.32 mm/0.25 «mu»m, He; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min)
CapillaryDB-Wax1098.Holscher, Vitzthum, et al., 199260. m/0.32 mm/0.25 «mu»m, He; Program: 35C(2min) => 40C/min => 60C(2min) => 2C/min => 220C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCP Sil 5 CB804.Bailly, Jerkovic, et al., 200650. m/0.32 mm/1.2 «mu»m, He; Program: 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C
CapillaryCP-Sil5 CB MS807.Callemien, Dasnoy, et al., 200650. m/0.32 mm/1.2 «mu»m, N2; Program: 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)
CapillaryBP-5823.Helsper, Bücking, et al., 200630. m/0.25 mm/1. «mu»m, He; Program: 40C(2min) => 4C/min => 150C => 8C/min => 250C (15min)
CapillaryHP-1807.Senger-Emonnot, Rochard, et al., 200650. m/0.32 mm/0.52 «mu»m, He; Program: 40C => 2C/min => 130C => 4C/min => 250C (25min)
CapillaryCP Sil 5 CB808.Vermeulen and Collin, 200650. m/0.32 mm/1.2 «mu»m; Program: 40 0C (4 min) 2 0C/min -> 132 0C 10 0C/min -> 250 0C (15 min)
CapillaryCP Sil 5 CB808.Vermeulen, Lejeune, et al., 200650. m/0.32 mm/1.2 «mu»m; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min)
CapillaryCP-Sil 5 CB807.Callamien, Dasnoy, et al., 200550. m/0.32 mm/1.2 «mu»m, Nitrogen; Program: 36 0C 20 0C/min -> 85 0C 1 iC/min -> 145 0C 3 0C/min -> 250 0C
CapillaryCP-Sil 5 CB807.Callemien, Dasnoy, et al., 200550. m/0.32 mm/1.20 «mu»m, Nitrogen; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C
CapillaryCP-Sil 5 CB810.Gijs, Chevanese, et al., 200250. m/0.32 mm/1.20 «mu»m, Helium; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1111.Kishimoto, Wanikawa, et al., 200615. m/0.32 mm/0.25 «mu»m, He, 6. K/min, 230. C @ 20. min; Tstart: 40. C
CapillaryHP-Innowax1122.Senger-Emonnot, Rochard, et al., 200660. m/0.32 mm/0.5 «mu»m, He, 2. K/min, 220. C @ 10. min; Tstart: 60. C
CapillaryHP-Innowax1087.Isogai, Utsunomiya, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 5. K/min, 240. C @ 15. min
CapillaryDB-Wax1098.Akiyama, Murakami, et al., 200360. m/0.32 mm/0.25 «mu»m, He, 6. K/min, 230. C @ 20. min; Tstart: 40. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryFFAP1112.Bailly, Jerkovic, et al., 200625. m/0.32 mm/0.3 «mu»m, He; Program: 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C
CapillaryCP-Wax 58CB1112.Vermeulen and Collin, 200625. m/0.32 mm/0.30 «mu»m; Program: 40 0C (4 min) 2 0C/min -> 132 0C 10 0C/min -> 250 0C (15 min)
CapillaryFFAP1112.Vermeulen, Lejeune, et al., 200625. m/0.32 mm/0.3 «mu»m; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min)

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.

Majcher and Jelen, 2007
Majcher, M.A.; Jelen, H.H., Effect of Cysteine and Cystine Addition on Sensory Profile and Potent Odorants of Extruded Potato Snacks, J. Agric. Food Chem., 2007, 55, 14, 5754-5760, https://doi.org/10.1021/jf0703147 . [all data]

Fritsch and Schieberle, 2005
Fritsch, H.T.; Schieberle, P., Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer, J. Agric. Food Chem., 2005, 53, 19, 7544-7551, https://doi.org/10.1021/jf051167k . [all data]

Holscher, Vitzthum, et al., 1992
Holscher, W.; Vitzthum, O.G.; Steinhart, H., Prenyl alcohol - source for odorants in roasted coffee, J. Agric. Food Chem., 1992, 40, 4, 655-658, https://doi.org/10.1021/jf00016a027 . [all data]

Bailly, Jerkovic, et al., 2006
Bailly, S.; Jerkovic, V.; Marchand-Brynaert, J.; Collin, S., Aroma Extraction Dilution Analysis of Sauternes Wines. Key Role of Polyfunctional Thiols, J. Agric. Food Chem., 2006, 54, 19, 7227-7234, https://doi.org/10.1021/jf060814k . [all data]

Callemien, Dasnoy, et al., 2006
Callemien, D.; Dasnoy, S.; Collin, S., Identification of a stale-beer-like odorant in extracts of naturally aged beer, J. Agric. Food Chem., 2006, 54, 4, 1409-1413, https://doi.org/10.1021/jf051772n . [all data]

Helsper, Bücking, et al., 2006
Helsper, J.P.F.G.; Bücking, M.; Muresan, S.; Blaas, J.; Wietsma, W.A., Identification of the volatile component(s) causing the characteristic foxy odor in various cultivars of Fritillaria imperialis L. (Liliaceae), J. Agric. Food Chem., 2006, 54, 14, 5087-5091, https://doi.org/10.1021/jf0605594 . [all data]

Senger-Emonnot, Rochard, et al., 2006
Senger-Emonnot, P.; Rochard, S.; Pellegrin, F.; George, G.; Fernandez, X.; Lizzani-Cuvelier, L., Odour active aroma compounds of sea fig (Microcosmus sulcatus), Food Chem., 2006, 97, 3, 465-471, https://doi.org/10.1016/j.foodchem.2005.05.026 . [all data]

Vermeulen and Collin, 2006
Vermeulen, C.; Collin, S., Combinatorial Synthesis and Screening of Nover Odorants such as Polyfunctional Thiols, Combinatorial Chem. High Throghput Screening, 2006, 9, 8, 583-590, https://doi.org/10.2174/138620706778249712 . [all data]

Vermeulen, Lejeune, et al., 2006
Vermeulen, C.; Lejeune, I.; Tran, T.T.H.; Collin, S., Occurrence of polyfunctional thiols in fresh lager beers, J. Agric. Food Chem., 2006, 54, 14, 5061-5068, https://doi.org/10.1021/jf060669a . [all data]

Callamien, Dasnoy, et al., 2005
Callamien, D.; Dasnoy, S.; Heynen, O.; Badot, C.; Collin, S., Flavour stability of lager beer: identification of a new key staling compounds, Eur. Brewery Convention, 2005, 91, 815-822. [all data]

Callemien, Dasnoy, et al., 2005
Callemien, D.; Dasnoy, S.; Heynen, O.; Badot, C.; Collin, S., Flavour stability of lager beer: identification of a new key staling compound in European Brewery Convention, Fachverlag Hans Carl, Nurnberg, Germany, 2005, 815-822. [all data]

Gijs, Chevanese, et al., 2002
Gijs, L.; Chevanese, F.; Jerkovic, V.; Collin, S., How low pH can intensify beta-damascenone and dimethyl trisulfide production through beer aging, J. Agric. Food Chem., 2002, 50, 20, 5612-5616, https://doi.org/10.1021/jf020563p . [all data]

Kishimoto, Wanikawa, et al., 2006
Kishimoto, T.; Wanikawa, A.; Kono, K.; Shibata, K., Comparison of the Odor-Active Compounds in Unhopped Beer and Beers Hopped with Different Hop Varieties, J. Agric. Food Chem., 2006, 54, 23, 8855-8861, https://doi.org/10.1021/jf061342c . [all data]

Isogai, Utsunomiya, et al., 2005
Isogai, A.; Utsunomiya, H.; Kanda, R.; Iwata, H., Changes in the Aroma Compounds of Sake during Aging, J. Agric. Food Chem., 2005, 53, 10, 4118-4123, https://doi.org/10.1021/jf047933p . [all data]

Akiyama, Murakami, et al., 2003
Akiyama, M.; Murakami, K.; Ohtani, N.; Iwatsuki, K.; Sotoyama, K.; Wada, A.; Tokuno, K.; Iwabuchi, H.; Tanaka, K., Analysis of volatile compounds released during the grinding of roasted coffee beans using solid-phase microextraction, J. Agric. Food Chem., 2003, 51, 7, 1961-1969, https://doi.org/10.1021/jf020724p . [all data]


Notes

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