4-mercapto-3-methylpentan-2-one
- Formula: C6H12OS
- Molecular weight: 132.224
- IUPAC Standard InChI: InChI=1S/C6H12OS/c1-4(5(2)7)6(3)8/h4,6,8H,1-3H3
- IUPAC Standard InChIKey: VPFDUTYZTDYOAS-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Normal alkane RI, non-polar column, custom temperature program
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | 5 % Phenyl methyl siloxane | 5 % Phenyl methyl siloxane | CP Sil 5 CB | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 50. | 50. | 50. | ||
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
| Phase thickness (μm) | 1.2 | 1.2 | 1.2 | ||
| Program | not specified | not specified | 40C(4min) => 2C/min => 132C => 10C/min => 250C(45min) | 40C(4min) => 2C/min => 132C => 10C/min => 250C(45min) | 40C(4min) => 2C/min => 132C => 10C/min => 250C(45min) |
| I | 1002. | 994. | 959. | 967. | 959. |
| Reference | Kleinhenz, Kuo, et al., 2006 | Kleinhenz, Kuo, et al., 2006 | Vermeulen, Guyot-Declerck, et al., 2003 | Vermeulen, Guyot-Declerck, et al., 2003 | Vermeulen and Collin, 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | CP Sil 5 CB | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 50. | 50. | 50. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1.2 | 1.2 | 1.2 |
| Program | 40C(4min) => 2C/min => 132C => 10C/min => 250C(45min) | 40C(4min) => 2C/min => 132C => 10C/min => 250(45min) | 40C(4min) => 2C/min => 132C => 10C/min => 250(45min) |
| I | 967. | 959. | 967. |
| Reference | Vermeulen and Collin, 2002 | Vermeulen, Pellaud, et al., 2001 | Vermeulen, Pellaud, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kleinhenz, Kuo, et al., 2006
Kleinhenz, J.K.; Kuo, C.J.; Harper., W.J.,
Evaluation of polyfunctional thiol compounds in aged Cheddar cheese: identification,
Milchwissenschaft, 2006, 61, 3, 300-304. [all data]
Vermeulen, Guyot-Declerck, et al., 2003
Vermeulen, C.; Guyot-Declerck, C.; Collin, S.,
Combinatorial synthesis and sensorial properties of mercapto primary alcohols and analogues,
J. Agric. Food Chem., 2003, 51, 12, 3623-3628, https://doi.org/10.1021/jf0212340
. [all data]
Vermeulen and Collin, 2002
Vermeulen, C.; Collin, S.,
Synthesis and sensorial properties of mercaptoaldehydes,
J. Agric. Food Chem., 2002, 50, 20, 5654-5659, https://doi.org/10.1021/jf020468g
. [all data]
Vermeulen, Pellaud, et al., 2001
Vermeulen, C.; Pellaud, J.; Gijs, L.; Collin, S.,
Combinatorial synthesis and sensorial properties of polyfunctional thiols,
J. Agric. Food Chem., 2001, 49, 11, 5445-5449, https://doi.org/10.1021/jf010816z
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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