| SpectraBase Spectrum ID |
8HsL7tqyEXA |
| Name |
Ecgonidine |
| CAS Registry Number |
484-93-5 |
| Classification |
Biomarker for crack cocaine use |
| 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 |
167.094628661 u |
| Formula |
C9H13NO2 |
| InChI |
InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h2,4,6-8H,3,5H2,1H3,(H,11,12)/t6-,7-,8-/m1/s1 |
| InChIKey |
BBBNTRDOFVZKBT-BWZBUEFSSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
167.208 g/mol |
| Nominal Mass |
167 u |
| Quality |
999 |
| Retention Index |
1346 |
| SMILES |
OC([C@]1([C@@]2(N([C@@](CC2)(C=C1)[H])C)[H])[H])=O |
| SPLASH |
splash10-000i-7900000000-252da5fe20f61f111dfa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Anhydroecgonine
8-Methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019631 |
