| SpectraBase Spectrum ID |
IQKtBLYgv6I |
| Name |
Cocaethylene @ |
| Classification |
Local anesthetic
Addictive drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
317.162708221 u |
| Formula |
C18H23NO4 |
| InChI |
InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3 |
| InChIKey |
NMPOSNRHZIWLLL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.385 g/mol |
| SMILES |
c1(ccccc1)C(OC1C(C2N(C)C(CC2)C1)C(OCC)=O)=O |
| SPLASH |
splash10-05o1-9712000000-f73ea68e94ed4ae64aa5 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Cocaine-M (benzoylecgonine) ET
Cocaine-M (cocaethylene) |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_466 |
