| SpectraBase Spectrum ID |
4J9wgmynDs |
| Name |
Cocaine-M (HO-methoxy-) HFB |
| Classification |
Local anesthetic
Addictive drug |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
545.128449186 u |
| Formula |
C22H22F7NO7 |
| InChI |
InChI=1S/C22H22F7NO7/c1-30-11-5-6-12(30)16(18(32)35-3)15(9-11)36-17(31)10-4-7-13(14(8-10)34-2)37-19(33)20(23,24)21(25,26)22(27,28)29/h4,7-8,11-12,15-16H,5-6,9H2,1-3H3 |
| InChIKey |
WUXGDHLHNLNMKG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
545.407 g/mol |
| SMILES |
C(C(Oc1ccc(cc1OC)C(OC1CC2CCC(C1C(OC)=O)N2C)=O)=O)(C(C(F)(F)F)(F)F)(F)F |
| SPLASH |
splash10-001i-9400000000-891b62c8490b945afac5 |
| 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: UGLUCHFB |
| 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_5946 |
