| SpectraBase Spectrum ID |
BKKRmJwq07y |
| Name |
Cocaine @ |
| CAS Registry Number |
50-36-2 |
| Classification |
Local anesthetic
Addictive drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
303.147058156 u |
| Formula |
C17H21NO4 |
| InChI |
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3 |
| InChIKey |
ZPUCINDJVBIVPJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
303.358 g/mol |
| SMILES |
c1(ccccc1)C(OC1C(C2N(C)C(CC2)C1)C(OC)=O)=O |
| SPLASH |
splash10-001i-9400000000-7ed6ced4f00e534d5e0f |
| 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: P-I G 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) ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_465 |
