Methyl 3-(methylthio)-(E)-2-propenoate
- Formula: C5H8O2S
- Molecular weight: 132.181
- IUPAC Standard InChI: InChI=1S/C5H8O2S/c1-7-5(6)3-4-8-2/h3-4H,1-2H3/b4-3+
- IUPAC Standard InChIKey: KAFIOMPFBSDFPP-ONEGZZNKSA-N
- CAS Registry Number: 15904-85-5
- Chemical structure:
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- Other names: (E)-2-Propenoic acid, 3-methylthio-, methyl ester; Methyl 3-(methylthio)-2-propenoate, (E)
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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
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 | G.Takeoka ET AL,J.Agric.Food Chem., 39,1848(1991) |
| NIST MS number | 293052 |
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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1062. | Takeoka, Buttery, et al., 1991 | He, 50. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 220. C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1675. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-Wax | 1663. | Takeoka, Buttery, et al., 1991 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min, 180. C @ 25. min |
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.
Takeoka, Buttery, et al., 1991
Takeoka, G.R.; Buttery, R.G.; Teranishi, R.; Flath, R.A.; Güntert, M.,
Identification of additional pineapple volatiles,
J. Agric. Food Chem., 1991, 39, 10, 1848-1851, https://doi.org/10.1021/jf00010a032
. [all data]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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