Cholesterol, TMS derivative
- Formula: C30H54OSi
- Molecular weight: 458.8347
- IUPAC Standard InChI: InChI=1S/C30H54OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t22?,24-,25?,26?,27?,28?,29?,30?/m1/s1
- IUPAC Standard InChIKey: CBVJJGRSRFXUPK-SZXIZBHISA-N
- CAS Registry Number: 1856-05-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Cholesterol trimethylsilyl ether; Silane, [[(3β)-cholest-5-en-3-yl]oxy]trimethyl-; Silane, (cholesteryloxy)trimethyl-; O-Trimethylsilylcholesterol; 3β-(Trimethylsiloxy)cholest-5-ene; Cholest-5-ene, 3-[(trimethylsilyl)oxy]-, (3β)-; Monotrimethylsilyl derivative of cholesterol; 3-[(Trimethylsilyl)oxy]cholest-5-ene-, 3.beta-; 5-Cholesten-3-β-ol, TMS; Cholesterol, TMS; Cholesterol, mono-TMS; Cholest-5-en-3β-ol-, TMS; 5A-Cholesten-3-one, TMS; Epicholesterol TMS; Cholesterol (cholest-5-en-3β-ol), TMS; 3β-hydroxy-5-cholestene, TMS; [[(3β)-cholest-5-en-3-yl]oxy]trimethylsilane
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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 | NIST Mass Spectrometry Data Center |
| NIST MS number | 332886 |
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | OV-1 | 260. | 3136. | Quilliam and Westmore, 1978 | Gas Chrom Q; Column length: 1. m |
| Capillary | OV-1 | 255. | 3124. | Luyten and Rutten, 1974 | He; Column length: 20. m; Column diameter: 0.25 mm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 3143. | Shoda, Axelson, et al., 1993 | 25. m/0.32 mm/0.25 μm, 30. K/min; Tstart: 60. C; Tend: 290. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 3135. | Axelson, Mörk, et al., 1991 | 30. m/0.32 mm/0.25 μm; Program: 50C(6min) => rapidly => 190C => 5C/min => 285C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 3144.9 | Jonsson, Johansson, et al., 2005 | 10. m/0.18 mm/0.18 μm, 70. C @ 2. min, 40. K/min, 320. C @ 2. min |
| Capillary | OV-1 | 3120. | Luyten and Rutten, 1974 | He, 1. K/min; Column length: 20. m; Column diameter: 0.25 mm; Tstart: 220. C |
| Capillary | SE-30 | 3122. | Luyten and Rutten, 1974 | He, 1. K/min; Column length: 20. m; Column diameter: 0.25 mm; Tstart: 200. C |
| Packed | SE-30 | 3101. | Luyten and Rutten, 1974 | He, 1. K/min; Column length: 20. m; Column diameter: 0.25 mm; Tstart: 180. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-5 Sil MS | 3155. | Lytovchenko, Beleggia, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 70. C @ 5. min, 5. K/min, 310. C @ 1. min |
| Capillary | Methyl Silicone | 3132. | Ichimiya, Egestad, et al., 1991 | 25. m/0.32 mm/0.25 μm, He, 25. K/min; Tstart: 80. C; Tend: 280. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 3110. | Axelson, Ellis, et al., 2000 | 25. m/0.32 mm/0.17 μm, H2; Program: 50 0C (3 min) -> 185 0C 5 K/min -> 280 0C |
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.
Quilliam and Westmore, 1978
Quilliam, M.A.; Westmore, J.B.,
Sterically crowded trialkylsilyl derivatives for chromatography and mass spectrometry of biologically-important compounds,
Anal. Chem., 1978, 50, 1, 59-68, https://doi.org/10.1021/ac50023a020
. [all data]
Luyten and Rutten, 1974
Luyten, J.A.; Rutten, G.A.F.M.,
Analysis of Steroids by High-Resolution Gas-Liquid Chromatography. II. Application to Urinary Samples,
J. Chromatogr., 1974, 91, 393-406, https://doi.org/10.1016/S0021-9673(01)97918-X
. [all data]
Shoda, Axelson, et al., 1993
Shoda, J.; Axelson, M.; Sjövall, J.,
Synthesis of potential C27-intermediates in bile acid biosynthesis and their deuterium-labeled analogs,
Steroids, 1993, 58, 3, 119-125, https://doi.org/10.1016/0039-128X(93)90048-R
. [all data]
Axelson, Mörk, et al., 1991
Axelson, M.; Mörk, B.; Everson, G.T.,
Bile Acid Synthesis in Cultured Human Hepatoblastoma Cells,
J. Biol. Chem., 1991, 266, 27, 17770-17777. [all data]
Jonsson, Johansson, et al., 2005
Jonsson, P.; Johansson, A.I.; Gullberg, J.; Trygg, J.; Jiye, A.; Grung, B.; Marklund, S.; Sjöström, M.; Antti, H.; Moritz, T.,
High-throughput data analysis for detecting and identifying differences between samples in GC/MS-based metabolomic analyses,
Anal. Chem., 2005, 77, 17, 5635-5642, https://doi.org/10.1021/ac050601e
. [all data]
Lytovchenko, Beleggia, et al., 2009
Lytovchenko, A.; Beleggia, R.; Schauer, N.; Isaacson, T.; Leuendorf, J.E.; Hellmann, H.; Rose, J.K.C.; Fernie, A.R.,
Application of GC-MS fpr the detection of lipophilic compounds in diverse plant tissues,
Plant Methods, 2009, 5, 4, 1-11. [all data]
Ichimiya, Egestad, et al., 1991
Ichimiya, H.; Egestad, B.; Nazer, H.; Baginski, E.S.; Clayton, P.T.; Sjövall, J.,
Bile acids and bile alcohols in a child with hepatic 3β-hydroxy-Δ5-C27-steroid dehydrogenase deficiency: effects of chenodeoxycholic acid treatment,
J. Lipid Res., 1991, 32, 829-841. [all data]
Axelson, Ellis, et al., 2000
Axelson, M.; Ellis, E.; Mörk, B.; Garmark, K.; Abrahamsson, A.; Björkhem, I.; Ericzon, B.-G.; Einarsson, C.,
Bile acid synthesis in cultured human hepatocytes: support for an alternative biosynthetic pathway to cholic acid,
Hepatology, 2000, 31, 6, 1305-1312, https://doi.org/10.1053/jhep.2000.7877
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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