Stigmasterol, TMS derivative
- Formula: C32H56OSi
- Molecular weight: 484.8719
- IUPAC Standard InChI: InChI=1S/C32H56OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h11-13,22-24,26-30H,10,14-21H2,1-9H3/b12-11+/t23?,24?,26-,27?,28?,29?,30?,31?,32?/m1/s1
- IUPAC Standard InChIKey: SZLWSWKRZSAHBC-WBNRRFFXSA-N
- CAS Registry Number: 14030-29-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Stigmasterol trimethylsilyl ether; Silane, trimethyl[[(3β,22E)-stigmasta-5,22-dien-3-yl]oxy]-; Silane, trimethyl(stigmasta-5,22-dien-3β-yloxy)-; 3β-(Trimethylsiloxy)stigmasta-5,22-diene; (3β,22E)-3-[(Trimethylsilyl)oxy]stigmasta-5,22-diene; Stigmasterol, TMS; Stigmasta-5,22-dien-3β-ol, 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 | John Halket,Royal Holloway, University of London, UK |
| NIST MS number | 331824 |
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-5MS | 3274.3 | Jonsson, Johansson, et al., 2005 | 10. m/0.18 mm/0.18 μm, 70. C @ 2. min, 40. K/min, 320. C @ 2. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 3262. | Radulovic and Dordevic, 2011 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 315. C @ 10. min; Tstart: 70. C |
| Capillary | RTX-5 Sil MS | 3286. | 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 | HP-5 | 3286. | Isidorov, Lech, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 300. C @ 30. min; Tstart: 50. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 3274. | Radulovic and Dordevic, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | RTx-5 Sil MS | 3290. | 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, 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.
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]
Radulovic and Dordevic, 2011
Radulovic, N.S.; Dordevic, N.D.,
Sterods from poison hemlock (Conium maculatum L.): a GC-MS analysis,
J. Serb. Chem. Soc., 2011, 76, 11, 1471-1483, https://doi.org/10.2298/JSC110206128R
. [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]
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]
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, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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