| SpectraBase Spectrum ID |
8gzeW454EFu |
| Name |
Cocaine-M (HO-methoxy-) TMS |
| 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 |
421.192064251 u |
| Formula |
C21H31NO6Si |
| InChI |
InChI=1S/C21H31NO6Si/c1-22-14-8-9-15(22)19(21(24)26-3)18(12-14)27-20(23)13-7-10-16(17(11-13)25-2)28-29(4,5)6/h7,10-11,14-15,18-19H,8-9,12H2,1-6H3 |
| InChIKey |
PKHOVJFPIJSOFI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
421.565 g/mol |
| SMILES |
C[Si](Oc1ccc(cc1OC)C(OC1CC2N(C(C1C(OC)=O)CC2)C)=O)(C)C |
| SPLASH |
splash10-001i-9510000000-bea6cb2c09994968485b |
| 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: UGLUCTMS |
| 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_5950 |
