Quininic acid (5TMS)
- Formula: C22H52O6Si5
- Molecular weight: 553.0722
- IUPAC Standard InChI: InChI=1S/C22H52O6Si5/c1-29(2,3)24-18-16-22(28-33(13,14)15,21(23)27-32(10,11)12)17-19(25-30(4,5)6)20(18)26-31(7,8)9/h18-20H,16-17H2,1-15H3
- IUPAC Standard InChIKey: DBCLHKSGLLGXOV-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Quinic acid, 5TMS
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Gas Chromatography
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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 | HP-5MS | 1839.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTx-5 Sil MS | 1863. | Birkemeier and Kopka, 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 70 0C (1 min) 1 0C/min -> 76 0C 6.09 0C/min -> 350 0C (1 min) -> 330 0C (10 min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [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
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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