| SpectraBase Spectrum ID |
2J4QSuyFbk |
| Name |
Cocaine-M (HO-di-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 |
451.202628935 u |
| Formula |
C22H33NO7Si |
| InChI |
InChI=1S/C22H33NO7Si/c1-23-14-8-9-15(23)19(22(25)28-4)16(12-14)29-21(24)13-10-17(26-2)20(18(11-13)27-3)30-31(5,6)7/h10-11,14-16,19H,8-9,12H2,1-7H3 |
| InChIKey |
IIQLCVXVCBJGLK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
451.591 g/mol |
| SMILES |
C[Si](Oc1c(cc(cc1OC)C(OC1CC2N(C(C1C(OC)=O)CC2)C)=O)OC)(C)C |
| SPLASH |
splash10-001i-9410100000-c0f7926f296467936ec7 |
| 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_5951 |
