Niacin, TMS derivative
- Formula: C9H13NO2Si
- Molecular weight: 195.2905
- IUPAC Standard InChI: InChI=1S/C9H13NO2Si/c1-13(2,3)12-9(11)8-5-4-6-10-7-8/h4-7H,1-3H3
- IUPAC Standard InChIKey: PYFBRRMHOWLGJH-UHFFFAOYSA-N
- CAS Registry Number: 25436-37-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 3-Pyridinecarboxylic acid, trimethylsilyl ester; Nicotinic acid-TMS; Nicotinic acid, trimethylsilyl ester; Trimethylsilyl nicotinate
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- Other data available:
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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 |
|---|---|---|
| Active phase | Polydimethyl siloxane, 5 % phenyl groups | RTx-5 Sil MS |
| Column length (m) | 30. | |
| Carrier gas | Helium | |
| Substrate | ||
| Column diameter (mm) | 0.25 | |
| Phase thickness (μm) | 0.25 | |
| Program | not specified | 70 0C (1 min) 1 0C/min -> 76 0C 6.09 0C/min -> 350 0C (1 min) -> 330 0C (10 min) |
| I | 1257. | 1304. |
| Reference | Kumari, Stevens, et al., 2011 | Birkemeier and Kopka, 2007 |
| Comment | 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.
Kumari, Stevens, et al., 2011
Kumari, S.; Stevens, D.; Kind, T.; Denkert, C.; Fiehn, O.,
Applying in-silico retention index and mass spectra matching for identification of unknown metabolites in accurate mass GC-TOF mass spectrometry,
Anal. Chem., 2011, 83, 15, 5895-5902, https://doi.org/10.1021/ac2006137
. [all data]
Birkemeier and Kopka, 2007
Birkemeier, C.; Kopka, J.,
Design of metabolite recovery by variations of the metabolite profiling protocol
in Concepts in Plant Metabolomics, Nikolau, B.J.; Wurtele, E.S., ed(s)., Springer, Dordrecht, Netheralnds, 2007, 45-69. [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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