Cocaine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU161904
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU161904 contains the MS2 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 | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC |
| 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 214755a6-468c-4b62-a03f-394d59692cd0 |
| Package id | msbnk-athens_univ-au161904 |
| Resource type | HTML |
| State | active |