Hexanoic acid, TMS derivative
- Formula: C9H20O2Si
- Molecular weight: 188.3394
- IUPAC Standard InChI: InChI=1S/C9H20O2Si/c1-5-6-7-8-9(10)11-12(2,3)4/h5-8H2,1-4H3
- IUPAC Standard InChIKey: CYXNJMDACJPPRR-UHFFFAOYSA-N
- CAS Registry Number: 14246-15-2
- 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: Hexanoic acid, trimethylsilyl ester; Caproic acid, trimethylsilyl ester; Hexanoic acid, TMS
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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 |
|---|---|---|---|
| Active phase | HP-5 | DB-5 | RTx-5 Sil MS |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | not specified | Total analysis run time was optimized to be 15 min | 70 0C (1 min) 1 0C/min -> 76 0C 6.09 0C/min -> 350 0C (1 min) -> 330 0C (10 min) |
| I | 1074. | 1071. | 1064. |
| Reference | Isidorov, Lech, et al., 2008 | Kawana, Nakagawa, et al., 2008 | Birkemeier and Kopka, 2007 |
| 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.
Isidorov, Lech, et al., 2008
Isidorov, V.A.; Lech, P.; Zolciak, A.; Rusak, N.; Szczepaniak, L.,
Gas Chromatographic - nass spectrometric investigation of metabolites from the needles and roots of pine seedlings at early stages of pathogenic fungi Armillaria ostoyae attack,
Trees, 2008, 22, 4, 531-542, https://doi.org/10.1007/s00468-008-0213-z
. [all data]
Kawana, Nakagawa, et al., 2008
Kawana, S.; Nakagawa, K.; Hesegawa, Y.; Kobayashi, H.; Yamaguchi, S.,
Improvement of sample throghput using gas chromatography-mass spectrometry for biochemical diagnosis of organic acid disorders,
Clin. Chim. Acta, 2008, 392, 1-2, 34-40, https://doi.org/10.1016/j.cca.2008.02.025
. [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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