| SpectraBase Spectrum ID |
1DdfXC97eS |
| Name |
Ecgoninemethyl ester |
| CAS Registry Number |
7143-09-1 |
| Classification |
Cocaine metabolite, artifact, precursor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
199.120843408 u |
| Formula |
C10H17NO3 |
| InChI |
InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1 |
| InChIKey |
QIQNNBXHAYSQRY-UYXSQOIJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
199.250 g/mol |
| Nominal Mass |
199 u |
| Quality |
994 |
| Retention Index |
1465 |
| SMILES |
O[C@@]1([C@@]([C@@]2(N([C@](C1)(CC2)[H])C)[H])(C(OC)=O)[H])[H] |
| SPLASH |
splash10-001j-9200000000-1e365344b742d6301e11 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Cocaine-M/A
Methylecgonine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014112 |
