Estradiol, 2TMS derivative
- Formula: C24H40O2Si2
- Molecular weight: 416.7442
- IUPAC Standard InChI: InChI=1S/C24H40O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,11,16,20-23H,8,10,12-15H2,1-7H3/t20?,21?,22?,23-,24?/m1/s1
- IUPAC Standard InChIKey: WJUROLKZHWTVGC-XCBYWJNASA-N
- CAS Registry Number: 5150-62-9
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Bis(trimethylsilyl)estradiol; Silane, [[(17β)-estra-1,3,5(10)-triene-3,17-diyl]bis(oxy)]bis[trimethyl-; Silane, (estra-1,3,5(10)-trien-3,17β-ylenedioxy)bis[trimethyl-; 3,17-Bis[(trimethylsilyl)oxy]estra-1,3,5(10)-triene; β-Estradiol, bis(trimethylsilyl) ether; Estradiol, 2TMS; Oestradiol, bis-TMS; Estradiol, TMS; Oestradiol, TMS; Estradiol, MO TMS
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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 | 332948 |
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 |
|---|---|---|---|---|---|
| Capillary | SE-30 | 221. | 2660. | Mitra, 1982 | N2; Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | SE-30 | 231. | 2671. | Mitra, 1982 | N2; Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | SE-30 | 241. | 2687. | Mitra, 1982 | N2; Column length: 30. m; Column diameter: 0.25 mm |
| Packed | OV-1 | 225. | 2660. | Voelter, Jung, et al., 1971 | N2, GasChrom Q |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2629. | Gerhardt, Ludwig-Köhn, et al., 1989 | 25. m/0.32 mm/0.25 μm, H2, 2. K/min; Tstart: 120. C; Tend: 270. C |
| Capillary | DB-5 | 2629. | Gerhardt, Ludwig-Köhn, et al., 1989 | 25. m/0.32 mm/0.25 μm, H2, 2. K/min; Tstart: 120. C; Tend: 270. C |
| Capillary | DB-5 | 2629. | Gerhardt, Ludwig-Köhn, et al., 1989 | 25. m/0.32 mm/0.25 μm, H2, 2. K/min; Tstart: 120. C; Tend: 270. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2695.6 | 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. | 2679. | Krupcik, Rutten, et al., 1976 | Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 251. | 2691. | Krupcik, Rutten, et al., 1976 | Column length: 30. m; Column diameter: 0.25 mm |
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.
Mitra, 1982
Mitra, G.D.,
Determination of precise retention indices of steroids using an all-glass solid injection system,
J. Chromatogr., 1982, 234, 1, 214-217, https://doi.org/10.1016/S0021-9673(00)81795-1
. [all data]
Voelter, Jung, et al., 1971
Voelter, W.; Jung, G.; Breitmaier, E.; Bouchon, G.; Bayer, E.; Gupta, D.,
Comparison of the trifluoroacetyl and trimethylsilylether derivaties for gas chromatography of steroids,
Anal. Chim. Acta., 1971, 53, 1, 185-188, https://doi.org/10.1016/S0003-2670(01)80085-4
. [all data]
Gerhardt, Ludwig-Köhn, et al., 1989
Gerhardt, K.; Ludwig-Köhn, H.; Henning, H.V.; Remberg, G.; Zeeck, A.,
Identification of oestrogen metabolites in human urine by capillary gas chromatography and mass spectrometry,
Biomed. Environ. Mass Spectrom., 1989, 18, 2, 87-95, https://doi.org/10.1002/bms.1200180202
. [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]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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