Metergoline phenylmethyl ester
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81682
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML81682 contains the MS mass spectrum of Metergoline phenylmethyl ester with the InChIkey WZHJKEUHNJHDLS-UHFFFAOYSA-N.
Source: Metergoline phenylmethyl ester
Chemical Info
| InChI | InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29) |
|---|---|
| SMILES | CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5 |
| InChI Key | WZHJKEUHNJHDLS-UHFFFAOYSA-N |
| Molecular Formula | C25H29N3O2 |
| Exact Mass | 403.226 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 | 0b433eb3-aa40-4d6c-97c3-e0c59f58cc3e |
| Package id | msbnk-washington_state_univ-bml81682 |
| Resource type | HTML |
| State | active |