SpectraBase Spectrum ID |
DvggOl2O1l0 |
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 |
947 |
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-9350100000-e4b6b2c5a44438341079 |
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_004373 |