| SpectraBase Spectrum ID |
6vRpcIqIGks |
| Name |
Cocaine-M (benzoylecgonine) |
| CAS Registry Number |
519-09-5 |
| Classification |
Local anesthetic
Addictive drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
289.131408092 u |
| Formula |
C16H19NO4 |
| InChI |
InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13?,14+/m1/s1 |
| InChIKey |
GVGYEFKIHJTNQZ-UDRMKVCMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
289.331 g/mol |
| SMILES |
C1([C@]([C@]2(N([C@@](C1)(CC2)[H])C)[H])(C(O)=O)[H])OC(=O)c1ccccc1 |
| SPLASH |
splash10-00e9-9600000000-cb1dc5e2e61c12b2b16b |
| 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 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2120 |
