Methysergide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001398
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001398 contains the MS mass spectrum of Methysergide with the InChIkey KPJZHOPZRAFDTN-YZVOILCLSA-N.
Source: Methysergide
Chemical Info
| InChI | InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15-,19+/m0/s1 |
|---|---|
| SMILES | CCC(CO)NC(=O)C(C4)C=C(c31)C([H])(N(C)4)Cc(c2)c(c(ccc3)n(C)2)1 |
| InChI Key | KPJZHOPZRAFDTN-YZVOILCLSA-N |
| Molecular Formula | C21H27N3O2 |
| Exact Mass | 353.210 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 | 9c4625e6-a7ff-4afc-afd9-66f93510e929 |
| Package id | msbnk-waters-wa001398 |
| Resource type | HTML |
| State | active |