| SpectraBase Spectrum ID |
3urBIsMd72 |
| Name |
Cocaine-M (benzoylecgonine) HFPOL |
| Classification |
Local anesthetic
Addictive drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
471.128055265 u |
| Formula |
C20H20NO4F7 |
| InChI |
InChI=1S/C20H20F7NO4/c1-28-12-7-8-13(28)15(14(9-12)32-16(29)11-5-3-2-4-6-11)17(30)31-10-18(21,22)19(23,24)20(25,26)27/h2-6,12-15H,7-10H2,1H3/t12-,13+,14?,15+/m0/s1 |
| InChIKey |
KUWXKTQHDGUMOI-MCBWDKPDSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
471.372 g/mol |
| SMILES |
C1([C@@]([C@@]2(N([C@@](CC2)(C1)[H])C)[H])(C(OCC(F)(F)C(F)(F)C(F)(F)F)=O)[H])OC(=O)c1ccccc1 |
| SPLASH |
splash10-0ue9-9205100000-c771d2a8430fcbf8b3bb |
| 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. |
| 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_10322 |
