| SpectraBase Spectrum ID |
2llZj1SdPpQ |
| Name |
Cocaine-M (HO-BZE) 2TMS |
| Classification |
Drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
449.205376296 u |
| Formula |
C22H35NO5Si2 |
| InChI |
InChI=1S/C22H35NO5Si2/c1-23-17-13-14-18(23)22(28-30(5,6)7,21(25)27-29(2,3)4)19(15-17)26-20(24)16-11-9-8-10-12-16/h8-12,17-19H,13-15H2,1-7H3/t17-,18+,19-,22-/m0/s1 |
| InChIKey |
ALMJIJIICLTFNJ-WEMPKCCASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
449.694 g/mol |
| Nominal Mass |
449 u |
| Quality |
971 |
| Retention Index |
3317 |
| SMILES |
[C@@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(C=1C=CC=CC1)=O)[H])(O[Si](C)(C)C)C(O[Si](C)(C)C)=O |
| SPLASH |
splash10-001l-9340100000-c6ffc4b0a92297d36787 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethylsilyl 3-(benzoyloxy)-8-methyl-2-((trimethylsilyl)oxy)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031028 |
