| SpectraBase Spectrum ID |
JFAi8jMR68G |
| Name |
Methylecgonidine |
| CAS Registry Number |
43021-26-7 |
| Classification |
Cocaine metabolite, artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
181.110278725 u |
| Formula |
C10H15NO2 |
| InChI |
InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h3,5,7-9H,4,6H2,1-2H3/t7-,8-,9-/m1/s1 |
| InChIKey |
YAAXTUJIWSRZPN-IWSPIJDZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
181.235 g/mol |
| Nominal Mass |
181 u |
| Quality |
992 |
| Retention Index |
1379 |
| SMILES |
[C@@]12([C@](C(OC)=O)(C=C[C@@](N2C)(CC1)[H])[H])[H] |
| SPLASH |
splash10-0udi-6900000000-aa5c79d10cb97b597333 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Anhydroecgonine methyl ester
methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032050 |
