2-Furanmethanethiol, 5-methyl-
- Formula: C6H8OS
- Molecular weight: 128.192
- IUPAC Standard InChI: InChI=1S/C6H8OS/c1-5-2-3-6(4-8)7-5/h2-3,8H,4H2,1H3
- IUPAC Standard InChIKey: MGLMZOFGBDYNMH-UHFFFAOYSA-N
- CAS Registry Number: 59303-05-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: (5-Methyl-2-furyl)methanethiol; 2-Methyl-5-thiomethylfuran; 5-Methyl-2-furfurylmercaptan; 5-Methyl-2-furfurylthiol; 5-Methylfurfuryl mercaptan
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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 | TNO Volatile Compounds in Food - Chemical Concepts |
| NIST MS number | 248991 |
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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 995. | Hofmann and Schieberle, 1998 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 50C(5min) => 6C/min => 230C(15min) |
| Capillary | SE-54 | 995. | Hofmann and Schieberle, 1997 | 30. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 50C (5min) => 6C/min => 230C (15min) |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-FFAP | 1497. | Huynh-Ba, Matthey-Doret, et al., 2003 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 6C/min => 180C => 10C/min => 240C (10min) |
| Capillary | FFAP | 1505. | Hofmann and Schieberle, 1998 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 60C(5min) => 6C/min => 230C(15min) |
| Capillary | FFAP | 1500. | Hofmann and Schieberle, 1997 | 30. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 60C (5min) => 6C/min => 230C (15min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 993. | Tai and Ho, 1998 | 60. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: 40. C; Tend: 280. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 995. | Molyneux and Schieberle, 2007 | Program: not specified |
| Capillary | DB-5 | 1016. | Schieberle, 1996 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1497. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
| Capillary | Carbowax 20M | 1473. | Tressl and Silwar, 1981 | He, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1500. | Molyneux and Schieberle, 2007 | Program: not specified |
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.
Hofmann and Schieberle, 1998
Hofmann, T.; Schieberle, P.,
Identification of key aroma compounds generated from cysteine and carbohydrates under roasting conditions,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 229-236, https://doi.org/10.1007/s002170050324
. [all data]
Hofmann and Schieberle, 1997
Hofmann, T.; Schieberle, P.,
Identification of potent aroma compounds in thermally treated mixtures of glucose/cysteine and rhamnose/cysteine using aroma extract dilution techniques,
J. Agric. Food Chem., 1997, 45, 3, 898-906, https://doi.org/10.1021/jf960456t
. [all data]
Huynh-Ba, Matthey-Doret, et al., 2003
Huynh-Ba, T.; Matthey-Doret, W.; Fay, L.B.; Rhlid, R.B.,
Generation of thiols by biotransformation of cysteine-aldehyde conjugates with Baker's yeast,
J. Agric. Food Chem., 2003, 51, 12, 3629-3635, https://doi.org/10.1021/jf026198j
. [all data]
Tai and Ho, 1998
Tai, C.-Y.; Ho, C.-T.,
Influence of glutathione oxidation and pH on thermal formation of Maillard-type volatile compounds,
J. Agric. Food Chem., 1998, 46, 6, 2260-2265, https://doi.org/10.1021/jf971111t
. [all data]
Molyneux and Schieberle, 2007
Molyneux, R.J.; Schieberle, P.,
Compound identification: a Journal of Agricultural and Food Chemistry perspective,
J. Agric. Food Chem., 2007, 55, 12, 4625-4629, https://doi.org/10.1021/jf070242j
. [all data]
Schieberle, 1996
Schieberle, P.,
Odour-active compounds in moderately roasted sesame,
Food Chem., 1996, 55, 2, 145-152, https://doi.org/10.1016/0308-8146(95)00095-X
. [all data]
Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T.,
Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system,
J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046
. [all data]
Tressl and Silwar, 1981
Tressl, R.; Silwar, R.,
Investigation of sulfur-containing components in roasted coffee,
J. Agric. Food Chem., 1981, 29, 5, 1078-1082, https://doi.org/10.1021/jf00107a045
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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