Cocaine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000675
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000675 contains the MS mass spectrum of Cocaine with the InChIkey ZPUCINDJVBIVPJ-LJISPDSOSA-N.
Source: Cocaine
Chemical Info
| InChI | InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 |
|---|---|
| SMILES | COC(=O)C(C(OC(=O)c(c3)cccc3)1)C(C2)N(C)C(C2)C1 |
| InChI Key | ZPUCINDJVBIVPJ-LJISPDSOSA-N |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 0e723079-6a84-4952-be92-53b5667ccfac |
| Package id | msbnk-waters-wa000675 |
| Resource type | HTML |
| State | active |