Etiocholanone, TMS derivative
- Formula: C22H38O2Si
- Molecular weight: 362.6214
- IUPAC Standard InChI: InChI=1S/C22H38O2Si/c1-21-12-10-16(24-25(3,4)5)14-15(21)6-7-17-18-8-9-20(23)22(18,2)13-11-19(17)21/h15-19H,6-14H2,1-5H3/t15-,16-,17+,18+,19+,21+,22+/m0/s1
- IUPAC Standard InChIKey: RKALSSDGCWGKHQ-BLXKWZJGSA-N
- CAS Registry Number: 4867-14-5
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Androstan-17-one, 3-[(trimethylsilyl)oxy]-, (3α,5β)-; 5β-Androstan-17-one, 3α-(trimethylsiloxy)-; 3α-Trimethylsilyloxy-5β-androstan-17-one; 5β-Androstan-3α-ol-17-one, TMS; Etiocholanolone, mono-TMS; Etiocholanolone TMS; Etiocholan-3α-ol-17-one, trimethylsilyl ether
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 | 332984 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 2521. | Ludwig-Koehn and Henning, 1986 | 30. m/0.25 mm/0.25 μm, H2, 2. K/min; Tstart: 120. C; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2575.8 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 240. | 2513. | Krupcik, Rutten, et al., 1976 | Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 251. | 2527. | Krupcik, Rutten, et al., 1976 | Column length: 30. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 2548. | Bowers and Borts, 1996 | 30. m/0.25 mm/0.1 μm, He; Program: 170C => 20C/min => 260C => 2.7C/min => 305C => 20C/min => 320C |
| Capillary | BPX-5 | 2556. | Bowers and Borts, 1996 | 30. m/0.22 mm/0.25 μm, He; Program: 170C => 20C/min => 260C => 2.7C/min => 305C => 20C/min => 320C |
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.
Ludwig-Koehn and Henning, 1986
Ludwig-Koehn, H.; Henning, H.V.,
Some aspects of quantification of neutral steroid metabolites in body fluids of healthy and uremic subjects by capillary gas chromatography,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 1, 35-38, https://doi.org/10.1002/jhrc.1240090106
. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Krupcik, Rutten, et al., 1976
Krupcik, J.; Rutten, G.A.F.M.; Rijks, J.A.,
The influence of temperature on the separation and characterization of steroids on non-polar glass capillary columns,
Chem. zvesti, 1976, 30, 4, 469-479. [all data]
Bowers and Borts, 1996
Bowers, L.D.; Borts, D.J.,
Separation and confirmation of anabolic steroids with quadrupole ion trap tandem mass spectrometry,
J. Chromatogr. B, 1996, 687, 1, 69-78, https://doi.org/10.1016/S0378-4347(96)00231-9
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.