Methylergometrine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00938
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00938 contains the MS2 mass spectrum of Methylergometrine with the InChIkey UNBRKDKAWYKMIV-UHFFFAOYSA-N.
Source: Methylergometrine
Chemical Info
| InChI | InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25) |
|---|---|
| SMILES | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C |
| InChI Key | UNBRKDKAWYKMIV-UHFFFAOYSA-N |
| Molecular Formula | C20H25N3O2 |
| Exact Mass | 339.195 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 | 5cbff9f5-b4bb-4e46-8730-868437c40ac2 |
| Package id | msbnk-washington_state_univ-bml00938 |
| Resource type | HTML |
| State | active |