| SpectraBase Compound ID | 2nedawGB7DX |
|---|---|
| InChI | InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3 |
| InChIKey | YNDXUCZADRHECN-UHFFFAOYSA-N |
| Mol Weight | 434.5 g/mol |
| Molecular Formula | C24H31FO6 |
| Exact Mass | 434.210467 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | G5osPc7ymNw |
|---|---|
| Name | Tramcinoloneacetonide |
| CAS Registry Number | 76-25-5 |
| Collision Energy | 20 eV |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass | 434.210466875 u |
| Formula | C24H31FO6 |
| InChI | InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3 |
| InChIKey | YNDXUCZADRHECN-UHFFFAOYSA-N |
| Instrument Name | QStar XL, AB Sciex |
| Ion Polarity | P |
| Ionization Type | ESI+ |
| Molecular Weight | 434.504 g/mol |
| Nominal Mass | 434 u |
| Precursor Ion | [M+H]+ |
| Precursor m/z | 435.218 |
| SMILES | OCC(C12C3(C(C4C(C(O)C3)(F)C3(C(CC4)=CC(C=C3)=O)C)CC2OC(O1)(C)C)C)=O |
| Selected Ion Charge | 1 |
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type | ms2 |
| Technique | Q-TOF |
| Wiley ID | MSforID_+_964.3 |