Iso-gamma-fagarine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300745
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300745 contains the MS2 mass spectrum of Iso-gamma-fagarine with the InChIkey VNBUMBNLPGLBML-UHFFFAOYSA-N.
Source: Iso-gamma-fagarine
Chemical Info
| InChI | InChI=1S/C13H11NO3/c1-14-11-8(4-3-5-10(11)16-2)12(15)9-6-7-17-13(9)14/h3-7H,1-2H3 |
|---|---|
| SMILES | COC1=CC=CC2=C1N(C)C1=C(C=CO1)C2=O |
| InChI Key | VNBUMBNLPGLBML-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO3 |
| Exact Mass | 229.235 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | e224cbbb-4b41-4a52-9324-9ad8056019bc |
| Package id | msbnk-riken-pr300745 |
| Resource type | HTML |
| State | active |