| SpectraBase Spectrum ID |
GX5pnQI50Mq |
| Name |
Ecgoninemethylester AC |
| Classification |
Cocaine metabolite derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
241.131408092 u |
| Formula |
C12H19NO4 |
| InChI |
InChI=1S/C12H19NO4/c1-7(14)17-10-6-8-4-5-9(13(8)2)11(10)12(15)16-3/h8-11H,4-6H2,1-3H3/t8-,9+,10-,11+/m0/s1 |
| InChIKey |
UFYUFRXNCJWTSG-ZRUFSTJUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
241.287 g/mol |
| Nominal Mass |
241 u |
| Quality |
893 |
| Retention Index |
1902 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(=O)C)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-001i-9400000000-5f5f4a77e487b4b11638 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methylecgonine AC
methyl 3-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002110 |
