Ergometrine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000317
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000317 contains the MS2 mass spectrum of Ergometrine with the InChIkey WVVSZNPYNCNODU-XTQGRXLLSA-N.
Source: Ergometrine
Chemical Info
| InChI | InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1 |
|---|---|
| SMILES | C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C |
| InChI Key | WVVSZNPYNCNODU-XTQGRXLLSA-N |
| Molecular Formula | C19H23N3O2 |
| Exact Mass | 325.179 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 | 070c29f7-09a6-466e-81a2-bd87c28209b2 |
| Package id | msbnk-aafc-ac000317 |
| Resource type | HTML |
| State | active |