Benzoylecgonine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000679
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000679 contains the MS mass spectrum of Benzoylecgonine with the InChIkey GVGYEFKIHJTNQZ-RFQIPJPRSA-N.
Source: Benzoylecgonine
Chemical Info
| InChI | InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 |
|---|---|
| SMILES | OC(=O)C(C(OC(=O)c(c3)cccc3)1)C(C2)N(C)C(C2)C1 |
| InChI Key | GVGYEFKIHJTNQZ-RFQIPJPRSA-N |
| Molecular Formula | C16H19NO4 |
| Exact Mass | 289.131 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 | 96a83e24-5f69-46aa-b60e-75edb37fdcf3 |
| Package id | msbnk-waters-wa000679 |
| Resource type | HTML |
| State | active |