Dihydroergotamine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81116
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML81116 contains the MS mass spectrum of Dihydroergotamine with the InChIkey LUZRJRNZXALNLM-UHFFFAOYSA-N.
Source: Dihydroergotamine
Chemical Info
| InChI | InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39) |
|---|---|
| SMILES | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C |
| InChI Key | LUZRJRNZXALNLM-UHFFFAOYSA-N |
| Molecular Formula | C33H37N5O5 |
| Exact Mass | 583.279 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 | f231d310-cb97-44db-94bb-824d8f0ada37 |
| Package id | msbnk-washington_state_univ-bml81116 |
| Resource type | HTML |
| State | active |