SpectraBase Spectrum ID |
2niSCu5d7ia |
Name |
Methylecgonidine |
CAS Registry Number |
43021-26-7 |
Classification |
Cocaine metabolite, artifact |
Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
999 |
Retention Index |
1379 |
SMILES |
[C@@]12([C@](C(OC)=O)(C=C[C@@](N2C)(CC1)[H])[H])[H] |
SPLASH |
splash10-0udi-4900000000-ef82fc0fb269c9db57f7 |
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_031208 |